{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.Go6WT7ni/b1/gromacs_2025.3-1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.Go6WT7ni/b2/gromacs_2025.3-1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,9 +1,9 @@\n \n- 822d0d76b05be9075809fbb98e276647 45925332 science optional gromacs-data_2025.3-1_all.deb\n+ 99e4ea079962e1eec59b97fe5e35b9eb 45922744 science optional gromacs-data_2025.3-1_all.deb\n  d3d53bdf891f44c2984e8d8962d5dd10 1026732 debug optional gromacs-dbgsym_2025.3-1_amd64.deb\n  b8eb8b31374e005b95cbf2b8d93dde21 61904 science optional gromacs_2025.3-1_amd64.deb\n  8753bf71cb14d83f108cc23928497ec4 174856 libdevel optional libgromacs-dev_2025.3-1_amd64.deb\n  1c6c6a4dfd48cf25619b478fd2fc730d 563046752 debug optional libgromacs10-dbgsym_2025.3-1_amd64.deb\n  91760fc31033aeb3f50a67aa1ab79f9f 33317212 libs optional libgromacs10_2025.3-1_amd64.deb\n  1cc475f50c18b8a1894777fd14eceb4b 33592 libdevel optional libnblib-gmx-dev_2025.3-1_amd64.deb\n  0316a4e729e8670f0882581ec2a01516 7302080 debug optional libnblib-gmx0-dbgsym_2025.3-1_amd64.deb\n"}, {"source1": "gromacs-data_2025.3-1_all.deb", "source2": "gromacs-data_2025.3-1_all.deb", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -1,3 +1,3 @@\n -rw-r--r--   0        0        0        4 2025-08-30 20:26:24.000000 debian-binary\n--rw-r--r--   0        0        0   462080 2025-08-30 20:26:24.000000 control.tar.xz\n--rw-r--r--   0        0        0 45463060 2025-08-30 20:26:24.000000 data.tar.xz\n+-rw-r--r--   0        0        0   461860 2025-08-30 20:26:24.000000 control.tar.xz\n+-rw-r--r--   0        0        0 45460692 2025-08-30 20:26:24.000000 data.tar.xz\n"}, {"source1": "control.tar.xz", "source2": "control.tar.xz", "unified_diff": null, "details": [{"source1": "control.tar", "source2": "control.tar", "unified_diff": null, "details": [{"source1": "./control", "source2": "./control", "unified_diff": "@@ -1,13 +1,13 @@\n Package: gromacs-data\n Source: gromacs\n Version: 2025.3-1\n Architecture: all\n Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>\n-Installed-Size: 329277\n+Installed-Size: 329276\n Depends: libjs-mathjax\n Recommends: gromacs\n Section: science\n Priority: optional\n Multi-Arch: foreign\n Homepage: https://www.gromacs.org/\n Description: GROMACS molecular dynamics sim, data and documentation\n"}, {"source1": "./md5sums", "source2": "./md5sums", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "comments": ["Files differ"], "unified_diff": null}]}]}]}, {"source1": "data.tar.xz", "source2": "data.tar.xz", "unified_diff": null, "details": [{"source1": "data.tar", "source2": "data.tar", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -4910,15 +4910,15 @@\n -rw-r--r--   0 root         (0) root         (0)    57841 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/domdechelper_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     4939 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_1.svg\n -rw-r--r--   0 root         (0) root         (0)     9044 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_2.svg\n -rw-r--r--   0 root         (0) root         (0)     3109 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_3.svg\n -rw-r--r--   0 root         (0) root         (0)     9571 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_4.svg\n -rw-r--r--   0 root         (0) root         (0)     9642 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_5.svg\n -rw-r--r--   0 root         (0) root         (0)     7608 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_6.svg\n--rw-r--r--   0 root         (0) root         (0)   167766 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg\n+-rw-r--r--   0 root         (0) root         (0)   165219 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg\n -rw-r--r--   0 root         (0) root         (0)    45631 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/doxygen.css\n -rw-r--r--   0 root         (0) root         (0)    15461 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/doxygen.svg\n -rw-r--r--   0 root         (0) root         (0)     6490 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h.xhtml\n -rw-r--r--   0 root         (0) root         (0)     3968 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)    22066 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7704 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dynsections.js\n -rw-r--r--   0 root         (0) root         (0)    21946 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/edsam_8h.xhtml\n@@ -8976,37 +8976,37 @@\n -rw-r--r--   0 root         (0) root         (0)    11855 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scatteringfactors_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     3268 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scatteringfactors_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     8164 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scope__guard_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)     3361 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scope__guard_8cpp__incl.svg\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/\n -rw-r--r--   0 root         (0) root         (0)      152 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_0.js\n -rw-r--r--   0 root         (0) root         (0)      148 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1.js\n--rw-r--r--   0 root         (0) root         (0)   115250 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js\n+-rw-r--r--   0 root         (0) root         (0)   115232 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js\n -rw-r--r--   0 root         (0) root         (0)   110568 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js\n--rw-r--r--   0 root         (0) root         (0)   101275 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js\n--rw-r--r--   0 root         (0) root         (0)   181848 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js\n+-rw-r--r--   0 root         (0) root         (0)   101175 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js\n+-rw-r--r--   0 root         (0) root         (0)   181888 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js\n -rw-r--r--   0 root         (0) root         (0)     7829 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js\n -rw-r--r--   0 root         (0) root         (0)   119157 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js\n -rw-r--r--   0 root         (0) root         (0)   293583 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js\n -rw-r--r--   0 root         (0) root         (0)   103425 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js\n -rw-r--r--   0 root         (0) root         (0)    32889 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js\n -rw-r--r--   0 root         (0) root         (0)    30659 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_19.js\n -rw-r--r--   0 root         (0) root         (0)    29292 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1a.js\n -rw-r--r--   0 root         (0) root         (0)    18491 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1b.js\n -rw-r--r--   0 root         (0) root         (0)     1912 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1c.js\n -rw-r--r--   0 root         (0) root         (0)     1847 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1d.js\n -rw-r--r--   0 root         (0) root         (0)    11233 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1e.js\n -rw-r--r--   0 root         (0) root         (0)      209 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_2.js\n -rw-r--r--   0 root         (0) root         (0)    40617 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_3.js\n--rw-r--r--   0 root         (0) root         (0)   148510 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js\n+-rw-r--r--   0 root         (0) root         (0)   148504 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js\n -rw-r--r--   0 root         (0) root         (0)    74852 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_5.js\n--rw-r--r--   0 root         (0) root         (0)   276625 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js\n+-rw-r--r--   0 root         (0) root         (0)   276538 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js\n -rw-r--r--   0 root         (0) root         (0)   139114 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js\n--rw-r--r--   0 root         (0) root         (0)   138182 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js\n--rw-r--r--   0 root         (0) root         (0)   128925 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js\n+-rw-r--r--   0 root         (0) root         (0)   138222 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js\n+-rw-r--r--   0 root         (0) root         (0)   128931 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js\n -rw-r--r--   0 root         (0) root         (0)   272465 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_a.js\n -rw-r--r--   0 root         (0) root         (0)    43175 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_b.js\n -rw-r--r--   0 root         (0) root         (0)   153214 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_c.js\n -rw-r--r--   0 root         (0) root         (0)     2423 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_d.js\n -rw-r--r--   0 root         (0) root         (0)    11123 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_e.js\n -rw-r--r--   0 root         (0) root         (0)    58582 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_f.js\n -rw-r--r--   0 root         (0) root         (0)    14886 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/classes_0.js\n@@ -11003,15 +11003,15 @@\n -rw-r--r--   0 root         (0) root         (0)     9471 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    51341 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7616 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h.xhtml\n -rw-r--r--   0 root         (0) root         (0)    39605 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     3443 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7176 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timing_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    36880 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timing_8cpp__incl.svg\n--rw-r--r--   0 root         (0) root         (0)   100343 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml\n+-rw-r--r--   0 root         (0) root         (0)   100333 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml\n -rw-r--r--   0 root         (0) root         (0)    14009 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2dump_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    72820 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2dump_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     5774 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2tests_2dump_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    29125 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2tests_2dump_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     6081 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)     8921 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     5423 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8h.xhtml\n@@ -14662,15 +14662,15 @@\n -rw-r--r--   0 root         (0) root         (0)    28008 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_10.js\n -rw-r--r--   0 root         (0) root         (0)    35056 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_11.js\n -rw-r--r--   0 root         (0) root         (0)    36704 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_12.js\n -rw-r--r--   0 root         (0) root         (0)      351 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_13.js\n -rw-r--r--   0 root         (0) root         (0)    30036 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_14.js\n -rw-r--r--   0 root         (0) root         (0)    74024 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_15.js\n -rw-r--r--   0 root         (0) root         (0)    21176 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_16.js\n--rw-r--r--   0 root         (0) root         (0)     7088 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js\n+-rw-r--r--   0 root         (0) root         (0)     7128 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js\n -rw-r--r--   0 root         (0) root         (0)     8573 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_18.js\n -rw-r--r--   0 root         (0) root         (0)     5070 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_19.js\n -rw-r--r--   0 root         (0) root         (0)     2337 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1a.js\n -rw-r--r--   0 root         (0) root         (0)      954 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1b.js\n -rw-r--r--   0 root         (0) root         (0)     2677 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1d.js\n -rw-r--r--   0 root         (0) root         (0)     1269 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_2.js\n -rw-r--r--   0 root         (0) root         (0)    47150 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_3.js\n@@ -17314,15 +17314,15 @@\n -rw-r--r--   0 root         (0) root         (0)     1697 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd4__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2009 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd__double_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1837 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1886 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__util__double_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1690 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__util__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     4657 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/include_2gromacs_2simd_2simd_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3225 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/include_2gromacs_2utility_2bitmask_8h.xml.gz\n--rw-r--r--   0 root         (0) root         (0)   994722 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz\n+-rw-r--r--   0 root         (0) root         (0)   993939 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2648 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xsd\n -rw-r--r--   0 root         (0) root         (0)     4777 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3525 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1786 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexpage.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     9086 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexutil_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)    12250 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexutil_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)      943 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/init_8cpp.xml.gz\n@@ -19880,15 +19880,15 @@\n -rw-r--r--   0 root         (0) root         (0)     1947 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timecontrol_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1822 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timecontrol_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1565 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timeunitmanager_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1421 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timeunitmanager_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1352 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timing_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     5030 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tngio_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     4445 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tngio_8h.xml.gz\n--rw-r--r--   0 root         (0) root         (0)    26900 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz\n+-rw-r--r--   0 root         (0) root         (0)    26893 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1997 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tomorse_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2092 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tomorse_8h.xml\n -rw-r--r--   0 root         (0) root         (0)     2307 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2dump_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3173 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2dump_8h.xml\n -rw-r--r--   0 root         (0) root         (0)     1208 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2tests_2dump_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2544 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/topdirs_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2792 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/doxygen/xml/topdirs_8h.xml.gz\n@@ -20062,15 +20062,15 @@\n -rw-r--r--   0 root         (0) root         (0)   100805 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/how-to/special.html\n -rw-r--r--   0 root         (0) root         (0)    88710 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/how-to/topology.html\n -rw-r--r--   0 root         (0) root         (0)    89263 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/how-to/visualize.html\n -rw-r--r--   0 root         (0) root         (0)    73776 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/index.html\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/install-guide/\n -rw-r--r--   0 root         (0) root         (0)    87018 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/install-guide/exotic.html\n -rw-r--r--   0 root         (0) root         (0)   215724 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/install-guide/index.html\n--rw-r--r--   0 root         (0) root         (0) 13624925 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf\n+-rw-r--r--   0 root         (0) root         (0) 13624918 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/nblib/\n -rw-r--r--   0 root         (0) root         (0)   130685 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/nblib/guide-to-writing-MD-programs.html\n -rw-r--r--   0 root         (0) root         (0)    74901 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/nblib/index.html\n -rw-r--r--   0 root         (0) root         (0)    26415 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/objects.inv\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/onlinehelp/\n -rw-r--r--   0 root         (0) root         (0)    94205 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/onlinehelp/gmx-anaeig.html\n -rw-r--r--   0 root         (0) root         (0)    89564 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/onlinehelp/gmx-analyze.html\n@@ -20415,15 +20415,15 @@\n -rw-r--r--   0 root         (0) root         (0)    76367 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/portability.html\n -rw-r--r--   0 root         (0) root         (0)    74979 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/removed-functionality.html\n -rw-r--r--   0 root         (0) root         (0)    80283 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/tools.html\n -rw-r--r--   0 root         (0) root         (0)    96697 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/index.html\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/older/\n -rw-r--r--   0 root         (0) root         (0)    74114 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/release-notes/older/index.html\n -rw-r--r--   0 root         (0) root         (0)    71051 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/search.html\n--rw-r--r--   0 root         (0) root         (0)  1095619 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/searchindex.js\n+-rw-r--r--   0 root         (0) root         (0)  1097013 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/searchindex.js\n drwxr-xr-x   0 root         (0) root         (0)        0 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/\n -rw-r--r--   0 root         (0) root         (0)   156696 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/cmdline.html\n -rw-r--r--   0 root         (0) root         (0)    75079 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/deprecation-policy.html\n -rw-r--r--   0 root         (0) root         (0)   115330 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/environment-variables.html\n -rw-r--r--   0 root         (0) root         (0)    93275 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/faq.html\n -rw-r--r--   0 root         (0) root         (0)    76012 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/floating-point.html\n -rw-r--r--   0 root         (0) root         (0)    82365 2025-08-30 20:26:24.000000 ./usr/share/doc/gromacs/html/user-guide/flow.html\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg", "has_internal_linenos": true, "unified_diff": "@@ -9,10478 +9,10319 @@\n 00000080: 6373 2f53 5647 2f31 2e31 2f44 5444 2f73  cs/SVG/1.1/DTD/s\n 00000090: 7667 3131 2e64 7464 223e 0a3c 212d 2d20  vg11.dtd\">.<!-- \n 000000a0: 4765 6e65 7261 7465 6420 6279 2067 7261  Generated by gra\n 000000b0: 7068 7669 7a20 7665 7273 696f 6e20 322e  phviz version 2.\n 000000c0: 3432 2e34 2028 3029 0a20 2d2d 3e0a 3c21  42.4 (0). -->.<!\n 000000d0: 2d2d 2054 6974 6c65 3a20 696e 636c 7564  -- Title: includ\n 000000e0: 6564 6570 7320 5061 6765 733a 2031 202d  edeps Pages: 1 -\n-000000f0: 2d3e 0a3c 7376 6720 7769 6474 683d 2233  ->.<svg width=\"3\n-00000100: 3033 3670 7422 2068 6569 6768 743d 2231  036pt\" height=\"1\n-00000110: 3232 3270 7422 0a20 7669 6577 426f 783d  222pt\". viewBox=\n-00000120: 2230 2e30 3020 302e 3030 2033 3033 352e  \"0.00 0.00 3035.\n-00000130: 3832 2031 3232 312e 3533 2220 786d 6c6e  82 1221.53\" xmln\n+000000f0: 2d3e 0a3c 7376 6720 7769 6474 683d 2232  ->.<svg width=\"2\n+00000100: 3734 3670 7422 2068 6569 6768 743d 2231  746pt\" height=\"1\n+00000110: 3334 3770 7422 0a20 7669 6577 426f 783d  347pt\". viewBox=\n+00000120: 2230 2e30 3020 302e 3030 2032 3734 352e  \"0.00 0.00 2745.\n+00000130: 3832 2031 3334 372e 3237 2220 786d 6c6e  82 1347.27\" xmln\n 00000140: 733d 2268 7474 703a 2f2f 7777 772e 7733  s=\"http://www.w3\n 00000150: 2e6f 7267 2f32 3030 302f 7376 6722 2078  .org/2000/svg\" x\n 00000160: 6d6c 6e73 3a78 6c69 6e6b 3d22 6874 7470  mlns:xlink=\"http\n 00000170: 3a2f 2f77 7777 2e77 332e 6f72 672f 3139  ://www.w3.org/19\n 00000180: 3939 2f78 6c69 6e6b 223e 0a3c 6720 6964  99/xlink\">.<g id\n 00000190: 3d22 6772 6170 6830 2220 636c 6173 733d  =\"graph0\" class=\n 000001a0: 2267 7261 7068 2220 7472 616e 7366 6f72  \"graph\" transfor\n 000001b0: 6d3d 2273 6361 6c65 2831 2031 2920 726f  m=\"scale(1 1) ro\n 000001c0: 7461 7465 2830 2920 7472 616e 736c 6174  tate(0) translat\n-000001d0: 6528 3420 3132 3137 2e35 3329 223e 0a3c  e(4 1217.53)\">.<\n+000001d0: 6528 3420 3133 3433 2e32 3729 223e 0a3c  e(4 1343.27)\">.<\n 000001e0: 7469 746c 653e 696e 636c 7564 6564 6570  title>includedep\n 000001f0: 733c 2f74 6974 6c65 3e0a 3c70 6f6c 7967  s</title>.<polyg\n 00000200: 6f6e 2066 696c 6c3d 2277 6869 7465 2220  on fill=\"white\" \n 00000210: 7374 726f 6b65 3d22 7472 616e 7370 6172  stroke=\"transpar\n 00000220: 656e 7422 2070 6f69 6e74 733d 222d 342c  ent\" points=\"-4,\n-00000230: 3420 2d34 2c2d 3132 3137 2e35 3320 3330  4 -4,-1217.53 30\n-00000240: 3331 2e38 322c 2d31 3231 372e 3533 2033  31.82,-1217.53 3\n-00000250: 3033 312e 3832 2c34 202d 342c 3422 2f3e  031.82,4 -4,4\"/>\n+00000230: 3420 2d34 2c2d 3133 3433 2e32 3720 3237  4 -4,-1343.27 27\n+00000240: 3431 2e38 322c 2d31 3334 332e 3237 2032  41.82,-1343.27 2\n+00000250: 3734 312e 3832 2c34 202d 342c 3422 2f3e  741.82,4 -4,4\"/>\n 00000260: 0a3c 6720 6964 3d22 636c 7573 7431 2220  .<g id=\"clust1\" \n 00000270: 636c 6173 733d 2263 6c75 7374 6572 223e  class=\"cluster\">\n 00000280: 0a3c 7469 746c 653e 636c 7573 7465 725f  .<title>cluster_\n 00000290: 6c69 6267 726f 6d61 6373 3c2f 7469 746c  libgromacs</titl\n 000002a0: 653e 0a3c 706f 6c79 676f 6e20 6669 6c6c  e>.<polygon fill\n 000002b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000002c0: 626c 6163 6b22 2070 6f69 6e74 733d 2231  black\" points=\"1\n-000002d0: 3831 2e35 362c 2d38 2031 3831 2e35 362c  81.56,-8 181.56,\n-000002e0: 2d31 3230 352e 3533 2032 3732 332e 3536  -1205.53 2723.56\n-000002f0: 2c2d 3132 3035 2e35 3320 3237 3233 2e35  ,-1205.53 2723.5\n-00000300: 362c 2d38 2031 3831 2e35 362c 2d38 222f  6,-8 181.56,-8\"/\n-00000310: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-00000320: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-00000330: 3134 3532 2e35 3622 2079 3d22 2d31 3139  1452.56\" y=\"-119\n-00000340: 302e 3333 2220 666f 6e74 2d66 616d 696c  0.33\" font-famil\n-00000350: 793d 2254 696d 6573 2c73 6572 6966 2220  y=\"Times,serif\" \n-00000360: 666f 6e74 2d73 697a 653d 2231 342e 3030  font-size=\"14.00\n-00000370: 223e 6c69 6267 726f 6d61 6373 3c2f 7465  \">libgromacs</te\n-00000380: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n-00000390: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n-000003a0: 735f 6d64 7275 6e5f 7465 7374 7320 2d2d  s_mdrun_tests --\n-000003b0: 3e0a 3c67 2069 643d 226e 6f64 6531 2220  >.<g id=\"node1\" \n-000003c0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n-000003d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-000003e0: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74  programs_mdrun_t\n-000003f0: 6573 7473 3c2f 7469 746c 653e 0a3c 6720  ests</title>.<g \n-00000400: 6964 3d22 615f 6e6f 6465 3122 3e3c 6120  id=\"a_node1\"><a \n-00000410: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n-00000420: 705f 5f6d 6f64 756c 655f 5f6d 6472 756e  p__module__mdrun\n-00000430: 5f5f 696e 7465 6772 6174 696f 6e5f 5f74  __integration__t\n-00000440: 6573 7473 2e78 6874 6d6c 2220 7461 7267  ests.xhtml\" targ\n-00000450: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-00000460: 7469 746c 653d 226d 6472 756e 5f69 6e74  title=\"mdrun_int\n-00000470: 6567 7261 7469 6f6e 5f74 6573 7473 223e  egration_tests\">\n-00000480: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-00000490: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n-000004a0: 2262 6c61 636b 2220 6378 3d22 3835 2e35  \"black\" cx=\"85.5\n-000004b0: 3622 2063 793d 222d 3135 352e 3138 2220  6\" cy=\"-155.18\" \n-000004c0: 7278 3d22 3835 2e36 3222 2072 793d 2231  rx=\"85.62\" ry=\"1\n-000004d0: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-000004e0: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-000004f0: 6522 2078 3d22 3835 2e35 3622 2079 3d22  e\" x=\"85.56\" y=\"\n-00000500: 2d31 3532 2e36 3822 2066 6f6e 742d 6661  -152.68\" font-fa\n-00000510: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n-00000520: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n-00000530: 223e 6d64 7275 6e5f 696e 7465 6772 6174  \">mdrun_integrat\n-00000540: 696f 6e5f 7465 7374 733c 2f74 6578 743e  ion_tests</text>\n-00000550: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n-00000560: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00000570: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-00000580: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-00000590: 3222 2063 6c61 7373 3d22 6e6f 6465 223e  2\" class=\"node\">\n-000005a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000005b0: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n-000005c0: 6172 653c 2f74 6974 6c65 3e0a 3c65 6c6c  are</title>.<ell\n-000005d0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-000005e0: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-000005f0: 6b22 2063 783d 2232 3135 332e 3536 2220  k\" cx=\"2153.56\" \n-00000600: 6379 3d22 2d31 3136 312e 3122 2072 783d  cy=\"-1161.1\" rx=\n-00000610: 2233 392e 3722 2072 793d 2231 332e 3337  \"39.7\" ry=\"13.37\n-00000620: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n-00000630: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n-00000640: 3d22 3231 3533 2e35 3622 2079 3d22 2d31  =\"2153.56\" y=\"-1\n-00000650: 3135 382e 3622 2066 6f6e 742d 6661 6d69  158.6\" font-fami\n-00000660: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-00000670: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-00000680: 6861 7264 7761 7265 3c2f 7465 7874 3e0a  hardware</text>.\n-00000690: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-000006a0: 5f73 7263 5f70 726f 6772 616d 735f 6d64  _src_programs_md\n-000006b0: 7275 6e5f 7465 7374 7326 2334 353b 2667  run_tests&#45;&g\n-000006c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000006d0: 6d61 6373 5f68 6172 6477 6172 6520 2d2d  macs_hardware --\n-000006e0: 3e0a 3c67 2069 643d 2265 6467 6532 3830  >.<g id=\"edge280\n-000006f0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00000700: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00000710: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n-00000720: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n-00000730: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00000740: 735f 6861 7264 7761 7265 3c2f 7469 746c  s_hardware</titl\n-00000750: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00000760: 6f6e 6522 2073 7472 6f6b 653d 2223 3263  one\" stroke=\"#2c\n-00000770: 6363 3238 2220 7374 726f 6b65 2d64 6173  cc28\" stroke-das\n-00000780: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00000790: 4d31 3433 2e38 352c 2d31 3635 2e31 3243  M143.85,-165.12C\n-000007a0: 3135 352e 3032 2c2d 3136 362e 3533 2031  155.02,-166.53 1\n-000007b0: 3636 2e36 332c 2d31 3637 2e37 3920 3137  66.63,-167.79 17\n-000007c0: 372e 3536 2c2d 3136 382e 3631 2037 3039  7.56,-168.61 709\n-000007d0: 2e32 352c 2d32 3038 2e33 3920 3230 3435  .25,-208.39 2045\n-000007e0: 2e39 332c 2d31 3532 2e36 3120 3235 3736  .93,-152.61 2576\n-000007f0: 2e35 362c 2d32 3034 2e36 3120 3237 3632  .56,-204.61 2762\n-00000800: 2e32 352c 2d32 3232 2e38 3120 3239 3839  .25,-222.81 2989\n-00000810: 2e35 362c 2d39 332e 3333 2032 3938 392e  .56,-93.33 2989.\n-00000820: 3536 2c2d 3237 392e 3932 2032 3938 392e  56,-279.92 2989.\n-00000830: 3536 2c2d 3937 332e 3439 2032 3938 392e  56,-973.49 2989.\n-00000840: 3536 2c2d 3937 332e 3439 2032 3938 392e  56,-973.49 2989.\n-00000850: 3536 2c2d 3937 332e 3439 2032 3938 392e  56,-973.49 2989.\n-00000860: 3536 2c2d 3130 3331 2e36 3420 3239 3335  56,-1031.64 2935\n-00000870: 2e35 322c 2d31 3032 342e 3738 2032 3838  .52,-1024.78 288\n-00000880: 322e 3536 2c2d 3130 3438 2e37 3920 3237  2.56,-1048.79 27\n-00000890: 3734 2e36 382c 2d31 3039 372e 3731 2032  74.68,-1097.71 2\n-000008a0: 3734 302e 332c 2d31 3039 312e 3537 2032  740.3,-1091.57 2\n-000008b0: 3632 332e 3536 2c2d 3131 3131 2e36 3620  623.56,-1111.66 \n-000008c0: 3234 3731 2e30 372c 2d31 3133 372e 3920  2471.07,-1137.9 \n-000008d0: 3232 3838 2e31 322c 2d31 3135 312e 3737  2288.12,-1151.77\n-000008e0: 2032 3230 322e 3339 2c2d 3131 3537 2e32   2202.39,-1157.2\n-000008f0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-00000900: 6c6c 3d22 2332 6363 6332 3822 2073 7472  ll=\"#2ccc28\" str\n-00000910: 6f6b 653d 2223 3263 6363 3238 2220 706f  oke=\"#2ccc28\" po\n-00000920: 696e 7473 3d22 3232 3031 2e39 342c 2d31  ints=\"2201.94,-1\n-00000930: 3135 332e 3737 2032 3139 322e 3138 2c2d  153.77 2192.18,-\n-00000940: 3131 3537 2e38 3920 3232 3032 2e33 382c  1157.89 2202.38,\n-00000950: 2d31 3136 302e 3736 2032 3230 312e 3934  -1160.76 2201.94\n-00000960: 2c2d 3131 3533 2e37 3722 2f3e 0a3c 2f67  ,-1153.77\"/>.</g\n-00000970: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00000980: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-00000990: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d  dline -->.<g id=\n-000009a0: 226e 6f64 6536 2220 636c 6173 733d 226e  \"node6\" class=\"n\n-000009b0: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-000009c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000009d0: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n-000009e0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-000009f0: 6536 223e 3c61 2078 6c69 6e6b 3a68 7265  e6\"><a xlink:hre\n-00000a00: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n-00000a10: 5f5f 636f 6d6d 616e 646c 696e 652e 7868  __commandline.xh\n-00000a20: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n-00000a30: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n-00000a40: 636f 6d6d 616e 646c 696e 6522 3e0a 3c65  commandline\">.<e\n-00000a50: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n-00000a60: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n-00000a70: 6163 6b22 2063 783d 2231 3330 322e 3536  ack\" cx=\"1302.56\n-00000a80: 2220 6379 3d22 2d39 322e 3331 2220 7278  \" cy=\"-92.31\" rx\n-00000a90: 3d22 3532 2e31 3522 2072 793d 2231 332e  =\"52.15\" ry=\"13.\n-00000aa0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n-00000ab0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n-00000ac0: 2078 3d22 3133 3032 2e35 3622 2079 3d22   x=\"1302.56\" y=\"\n-00000ad0: 2d38 392e 3831 2220 666f 6e74 2d66 616d  -89.81\" font-fam\n-00000ae0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00000af0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00000b00: 3e63 6f6d 6d61 6e64 6c69 6e65 3c2f 7465  >commandline</te\n-00000b10: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n-00000b20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00000b30: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-00000b40: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n-00000b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00000b60: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n-00000b70: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237  ->.<g id=\"edge27\n-00000b80: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n-00000b90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00000ba0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-00000bb0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n-00000bc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00000bd0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n-00000be0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00000bf0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00000c00: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00000c10: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00000c20: 2064 3d22 4d31 3434 2e33 362c 2d31 3435   d=\"M144.36,-145\n-00000c30: 2e34 3143 3135 352e 3338 2c2d 3134 3420  .41C155.38,-144 \n-00000c40: 3136 362e 382c 2d31 3432 2e37 2031 3737  166.8,-142.7 177\n-00000c50: 2e35 362c 2d31 3431 2e37 3420 3538 312e  .56,-141.74 581.\n-00000c60: 3634 2c2d 3130 352e 3831 2031 3036 392e  64,-105.81 1069.\n-00000c70: 3832 2c2d 3936 2e33 2031 3234 302e 3236  82,-96.3 1240.26\n-00000c80: 2c2d 3933 2e39 3922 2f3e 0a3c 706f 6c79  ,-93.99\"/>.<poly\n-00000c90: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n-00000ca0: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n-00000cb0: 3238 2220 706f 696e 7473 3d22 3132 3430  28\" points=\"1240\n-00000cc0: 2e33 352c 2d39 372e 3439 2031 3235 302e  .35,-97.49 1250.\n-00000cd0: 332c 2d39 332e 3836 2031 3234 302e 3236  3,-93.86 1240.26\n-00000ce0: 2c2d 3930 2e34 3920 3132 3430 2e33 352c  ,-90.49 1240.35,\n-00000cf0: 2d39 372e 3439 222f 3e0a 3c2f 673e 0a3c  -97.49\"/>.</g>.<\n-00000d00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00000d10: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-00000d20: 3e0a 3c67 2069 643d 226e 6f64 6539 2220  >.<g id=\"node9\" \n-00000d30: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n-00000d40: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00000d50: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-00000d60: 7469 746c 653e 0a3c 656c 6c69 7073 6520  title>.<ellipse \n-00000d70: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00000d80: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00000d90: 3d22 3135 3032 2e35 3622 2063 793d 222d  =\"1502.56\" cy=\"-\n-00000da0: 3635 382e 3134 2220 7278 3d22 3237 2220  658.14\" rx=\"27\" \n-00000db0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n-00000dc0: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n-00000dd0: 6d69 6464 6c65 2220 783d 2231 3530 322e  middle\" x=\"1502.\n-00000de0: 3536 2220 793d 222d 3635 352e 3634 2220  56\" y=\"-655.64\" \n-00000df0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-00000e00: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-00000e10: 3d22 3130 2e30 3022 3e66 696c 6569 6f3c  =\"10.00\">fileio<\n-00000e20: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n-00000e30: 206d 6f64 756c 655f 7372 635f 7072 6f67   module_src_prog\n-00000e40: 7261 6d73 5f6d 6472 756e 5f74 6573 7473  rams_mdrun_tests\n-00000e50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00000e60: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-00000e70: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n-00000e80: 6765 3238 3422 2063 6c61 7373 3d22 6564  ge284\" class=\"ed\n-00000e90: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00000ea0: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n-00000eb0: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n-00000ec0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00000ed0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n-00000ee0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00000ef0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00000f00: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n-00000f10: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00000f20: 643d 224d 3134 332e 3836 2c2d 3136 352e  d=\"M143.86,-165.\n-00000f30: 3035 4331 3535 2e30 322c 2d31 3636 2e34  05C155.02,-166.4\n-00000f40: 3720 3136 362e 3633 2c2d 3136 372e 3735  7 166.63,-167.75\n-00000f50: 2031 3737 2e35 362c 2d31 3638 2e36 3120   177.56,-168.61 \n-00000f60: 3631 362e 3739 2c2d 3230 332e 3133 2032  616.79,-203.13 2\n-00000f70: 3533 382e 3435 2c2d 3132 332e 3439 2032  538.45,-123.49 2\n-00000f80: 3731 392e 3536 2c2d 3333 302e 3335 2032  719.56,-330.35 2\n-00000f90: 3736 342e 3234 2c2d 3338 312e 3338 2032  764.24,-381.38 2\n-00000fa0: 3736 322e 3534 2c2d 3433 302e 3439 2032  762.54,-430.49 2\n-00000fb0: 3731 392e 3536 2c2d 3438 322e 3936 2032  719.56,-482.96 2\n-00000fc0: 3533 392e 3734 2c2d 3730 322e 3439 2032  539.74,-702.49 2\n-00000fd0: 3337 342e 3536 2c2d 3536 392e 3120 3230  374.56,-569.1 20\n-00000fe0: 3933 2e35 362c 2d36 3038 2e37 2031 3838  93.56,-608.7 188\n-00000ff0: 352e 3232 2c2d 3633 382e 3036 2031 3633  5.22,-638.06 163\n-00001000: 322e 3836 2c2d 3635 312e 3431 2031 3533  2.86,-651.41 153\n-00001010: 392e 3535 2c2d 3635 352e 3622 2f3e 0a3c  9.55,-655.6\"/>.<\n-00001020: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00001030: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-00001040: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-00001050: 3135 3339 2e33 322c 2d36 3532 2e31 3120  1539.32,-652.11 \n-00001060: 3135 3239 2e34 382c 2d36 3536 2e30 3520  1529.48,-656.05 \n-00001070: 3135 3339 2e36 332c 2d36 3539 2e31 2031  1539.63,-659.1 1\n-00001080: 3533 392e 3332 2c2d 3635 322e 3131 222f  539.32,-652.11\"/\n-00001090: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000010a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000010b0: 6473 7061 6e20 2d2d 3e0a 3c67 2069 643d  dspan -->.<g id=\n-000010c0: 226e 6f64 6532 3722 2063 6c61 7373 3d22  \"node27\" class=\"\n-000010d0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n-000010e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000010f0: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a  _mdspan</title>.\n-00001100: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-00001110: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00001120: 626c 6163 6b22 2063 783d 2233 3237 2e35  black\" cx=\"327.5\n-00001130: 3622 2063 793d 222d 3932 2e33 3122 2072  6\" cy=\"-92.31\" r\n-00001140: 783d 2233 362e 3132 2220 7279 3d22 3133  x=\"36.12\" ry=\"13\n-00001150: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00001160: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00001170: 2220 783d 2233 3237 2e35 3622 2079 3d22  \" x=\"327.56\" y=\"\n-00001180: 2d38 392e 3831 2220 666f 6e74 2d66 616d  -89.81\" font-fam\n-00001190: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-000011a0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-000011b0: 3e6d 6473 7061 6e3c 2f74 6578 743e 0a3c  >mdspan</text>.<\n-000011c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000011d0: 7372 635f 7072 6f67 7261 6d73 5f6d 6472  src_programs_mdr\n-000011e0: 756e 5f74 6573 7473 2623 3435 3b26 6774  un_tests&#45;&gt\n-000011f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00001200: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c  acs_mdspan -->.<\n-00001210: 6720 6964 3d22 6564 6765 3238 3522 2063  g id=\"edge285\" c\n-00001220: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00001230: 746c 653e 6d6f 6475 6c65 5f73 7263 5f70  tle>module_src_p\n-00001240: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n-00001250: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n-00001260: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00001270: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70  dspan</title>.<p\n-00001280: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00001290: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n-000012a0: 4d31 3237 2e39 392c 2d31 3433 2e35 4331  M127.99,-143.5C1\n-000012b0: 3733 2e35 322c 2d31 3332 2e30 3520 3234  73.52,-132.05 24\n-000012c0: 352e 3138 2c2d 3131 342e 3033 2032 3839  5.18,-114.03 289\n-000012d0: 2e31 312c 2d31 3032 2e39 3822 2f3e 0a3c  .11,-102.98\"/>.<\n-000012e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n-000012f0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n-00001300: 706f 696e 7473 3d22 3239 302c 2d31 3036  points=\"290,-106\n-00001310: 2e33 3620 3239 382e 3834 2c2d 3130 302e  .36 298.84,-100.\n-00001320: 3533 2032 3838 2e32 392c 2d39 392e 3537  53 288.29,-99.57\n-00001330: 2032 3930 2c2d 3130 362e 3336 222f 3e0a   290,-106.36\"/>.\n-00001340: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00001350: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00001360: 616e 6120 2d2d 3e0a 3c67 2069 643d 226e  ana -->.<g id=\"n\n-00001370: 6f64 6533 3122 2063 6c61 7373 3d22 6e6f  ode31\" class=\"no\n-00001380: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-00001390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-000013a0: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c65  mxana</title>.<e\n-000013b0: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n-000013c0: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n-000013d0: 6163 6b22 2063 783d 2238 3132 2e35 3622  ack\" cx=\"812.56\"\n-000013e0: 2063 793d 222d 3130 3335 2e33 3622 2072   cy=\"-1035.36\" r\n-000013f0: 783d 2233 352e 3231 2220 7279 3d22 3133  x=\"35.21\" ry=\"13\n-00001400: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00001410: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00001420: 2220 783d 2238 3132 2e35 3622 2079 3d22  \" x=\"812.56\" y=\"\n-00001430: 2d31 3033 322e 3836 2220 666f 6e74 2d66  -1032.86\" font-f\n-00001440: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-00001450: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-00001460: 3022 3e67 6d78 616e 613c 2f74 6578 743e  0\">gmxana</text>\n-00001470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00001480: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n-00001490: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n-000014a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000014b0: 6f6d 6163 735f 676d 7861 6e61 202d 2d3e  omacs_gmxana -->\n-000014c0: 0a3c 6720 6964 3d22 6564 6765 3238 3122  .<g id=\"edge281\"\n-000014d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000014e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000014f0: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n-00001500: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n-00001510: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00001520: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a  _gmxana</title>.\n-00001530: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00001540: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n-00001550: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n-00001560: 7261 793d 2235 2c32 2220 643d 224d 3134  ray=\"5,2\" d=\"M14\n-00001570: 332e 3835 2c2d 3136 352e 3143 3135 352e  3.85,-165.1C155.\n-00001580: 3032 2c2d 3136 362e 3531 2031 3636 2e36  02,-166.51 166.6\n-00001590: 332c 2d31 3637 2e37 3820 3137 372e 3536  3,-167.78 177.56\n-000015a0: 2c2d 3136 382e 3631 2031 3039 332e 3732  ,-168.61 1093.72\n-000015b0: 2c2d 3233 382e 3236 2031 3332 392e 3238  ,-238.26 1329.28\n-000015c0: 2c2d 3132 342e 3220 3232 3434 2e35 362c  ,-124.2 2244.56,\n-000015d0: 2d32 3034 2e36 3120 3234 3839 2e38 382c  -204.61 2489.88,\n-000015e0: 2d32 3236 2e31 3620 3237 3232 2e36 2c2d  -226.16 2722.6,-\n-000015f0: 3135 302e 3734 2032 3736 352e 3536 2c2d  150.74 2765.56,-\n-00001600: 3339 332e 3232 2032 3738 332e 3739 2c2d  393.22 2783.79,-\n-00001610: 3439 362e 3133 2032 3738 302e 3737 2c2d  496.13 2780.77,-\n-00001620: 3738 332e 3638 2032 3730 392e 3536 2c2d  783.68 2709.56,-\n-00001630: 3836 302e 3138 2032 3631 322e 3839 2c2d  860.18 2612.89,-\n-00001640: 3936 342e 3034 2032 3533 362e 3036 2c2d  964.04 2536.06,-\n-00001650: 3839 372e 3133 2032 3339 362e 3536 2c2d  897.13 2396.56,-\n-00001660: 3932 332e 3035 2032 3233 332e 3433 2c2d  923.05 2233.43,-\n-00001670: 3935 332e 3336 2032 3139 332e 3538 2c2d  953.36 2193.58,-\n-00001680: 3936 382e 3631 2032 3032 382e 3536 2c2d  968.61 2028.56,-\n-00001690: 3938 352e 3932 2031 3537 342e 312c 2d31  985.92 1574.1,-1\n-000016a0: 3033 332e 3539 2031 3031 392e 362c 2d31  033.59 1019.6,-1\n-000016b0: 3033 352e 3238 2038 3538 2e34 372c 2d31  035.28 858.47,-1\n-000016c0: 3033 342e 3636 222f 3e0a 3c70 6f6c 7967  034.66\"/>.<polyg\n-000016d0: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n-000016e0: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n-000016f0: 3822 2070 6f69 6e74 733d 2238 3538 2e30  8\" points=\"858.0\n-00001700: 312c 2d31 3033 312e 3136 2038 3438 2c2d  1,-1031.16 848,-\n-00001710: 3130 3334 2e36 3220 3835 372e 3938 2c2d  1034.62 857.98,-\n-00001720: 3130 3338 2e31 3620 3835 382e 3031 2c2d  1038.16 858.01,-\n-00001730: 3130 3331 2e31 3622 2f3e 0a3c 2f67 3e0a  1031.16\"/>.</g>.\n-00001740: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00001750: 6772 6f6d 6163 735f 6577 616c 6420 2d2d  gromacs_ewald --\n-00001760: 3e0a 3c67 2069 643d 226e 6f64 6533 3422  >.<g id=\"node34\"\n-00001770: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-00001780: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00001790: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f  _gromacs_ewald</\n-000017a0: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n-000017b0: 6e6f 6465 3334 223e 3c61 2078 6c69 6e6b  node34\"><a xlink\n-000017c0: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n-000017d0: 6475 6c65 5f5f 6577 616c 642e 7868 746d  dule__ewald.xhtm\n-000017e0: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-000017f0: 2078 6c69 6e6b 3a74 6974 6c65 3d22 6577   xlink:title=\"ew\n-00001800: 616c 6422 3e0a 3c65 6c6c 6970 7365 2066  ald\">.<ellipse f\n-00001810: 696c 6c3d 2223 6535 6363 6666 2220 7374  ill=\"#e5ccff\" st\n-00001820: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00001830: 2238 3538 2e35 3622 2063 793d 222d 3238  \"858.56\" cy=\"-28\n-00001840: 302e 3932 2220 7278 3d22 3238 2e39 3822  0.92\" rx=\"28.98\"\n-00001850: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00001860: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-00001870: 226d 6964 646c 6522 2078 3d22 3835 382e  \"middle\" x=\"858.\n-00001880: 3536 2220 793d 222d 3237 382e 3432 2220  56\" y=\"-278.42\" \n-00001890: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-000018a0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-000018b0: 3d22 3130 2e30 3022 3e65 7761 6c64 3c2f  =\"10.00\">ewald</\n-000018c0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a  text>.</a>.</g>.\n-000018d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-000018e0: 5f73 7263 5f70 726f 6772 616d 735f 6d64  _src_programs_md\n-000018f0: 7275 6e5f 7465 7374 7326 2334 353b 2667  run_tests&#45;&g\n-00001900: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00001910: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n-00001920: 6720 6964 3d22 6564 6765 3238 3622 2063  g id=\"edge286\" c\n-00001930: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00001940: 746c 653e 6d6f 6475 6c65 5f73 7263 5f70  tle>module_src_p\n-00001950: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n-00001960: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n-00001970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-00001980: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061  wald</title>.<pa\n-00001990: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000019a0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-000019b0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000019c0: 3d22 352c 3222 2064 3d22 4d31 3035 2e37  =\"5,2\" d=\"M105.7\n-000019d0: 382c 2d31 3638 2e33 3943 3133 352e 3735  8,-168.39C135.75\n-000019e0: 2c2d 3138 352e 3831 2031 3934 2e32 382c  ,-185.81 194.28,\n-000019f0: 2d32 3137 2e32 3720 3234 382e 3536 2c2d  -217.27 248.56,-\n-00001a00: 3233 312e 3438 2033 3537 2e31 392c 2d32  231.48 357.19,-2\n-00001a10: 3539 2e39 3120 3730 322e 3338 2c2d 3237  59.91 702.38,-27\n-00001a20: 342e 3432 2038 3139 2e33 362c 2d32 3738  4.42 819.36,-278\n-00001a30: 2e36 3122 2f3e 0a3c 706f 6c79 676f 6e20  .61\"/>.<polygon \n-00001a40: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n-00001a50: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-00001a60: 706f 696e 7473 3d22 3831 392e 3532 2c2d  points=\"819.52,-\n-00001a70: 3238 322e 3131 2038 3239 2e36 332c 2d32  282.11 829.63,-2\n-00001a80: 3738 2e39 3720 3831 392e 3736 2c2d 3237  78.97 819.76,-27\n-00001a90: 352e 3132 2038 3139 2e35 322c 2d32 3832  5.12 819.52,-282\n-00001aa0: 2e31 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .11\"/>.</g>.<!--\n-00001ab0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00001ac0: 6163 735f 7472 616a 6563 746f 7279 202d  acs_trajectory -\n-00001ad0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3336  ->.<g id=\"node36\n-00001ae0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-00001af0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00001b00: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-00001b10: 746f 7279 3c2f 7469 746c 653e 0a3c 656c  tory</title>.<el\n-00001b20: 6c69 7073 6520 6669 6c6c 3d22 2362 6662  lipse fill=\"#bfb\n-00001b30: 6662 6622 2073 7472 6f6b 653d 2262 6c61  fbf\" stroke=\"bla\n-00001b40: 636b 2220 6378 3d22 3435 302e 3536 2220  ck\" cx=\"450.56\" \n-00001b50: 6379 3d22 2d31 3535 2e31 3822 2072 783d  cy=\"-155.18\" rx=\n-00001b60: 2234 312e 3032 2220 7279 3d22 3133 2e33  \"41.02\" ry=\"13.3\n-00001b70: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-00001b80: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-00001b90: 783d 2234 3530 2e35 3622 2079 3d22 2d31  x=\"450.56\" y=\"-1\n-00001ba0: 3532 2e36 3822 2066 6f6e 742d 6661 6d69  52.68\" font-fami\n-00001bb0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-00001bc0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-00001bd0: 7472 616a 6563 746f 7279 3c2f 7465 7874  trajectory</text\n-00001be0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00001bf0: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n-00001c00: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n-00001c10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00001c20: 726f 6d61 6373 5f74 7261 6a65 6374 6f72  romacs_trajector\n-00001c30: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00001c40: 6532 3739 2220 636c 6173 733d 2265 6467  e279\" class=\"edg\n-00001c50: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00001c60: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n-00001c70: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n-00001c80: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00001c90: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n-00001ca0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00001cb0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00001cc0: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n-00001cd0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00001ce0: 3222 2064 3d22 4d31 3137 2e32 372c 2d31  2\" d=\"M117.27,-1\n-00001cf0: 3637 2e37 3543 3133 362e 3839 2c2d 3137  67.75C136.89,-17\n-00001d00: 342e 3835 2031 3632 2e37 382c 2d31 3832  4.85 162.78,-182\n-00001d10: 2e39 3920 3138 362e 3536 2c2d 3138 362e  .99 186.56,-186.\n-00001d20: 3631 2032 3734 2e34 342c 2d31 3939 2e39  61 274.44,-199.9\n-00001d30: 3720 3239 392e 3938 2c2d 3230 362e 3733  7 299.98,-206.73\n-00001d40: 2033 3836 2e35 362c 2d31 3836 2e36 3120   386.56,-186.61 \n-00001d50: 3339 392e 3036 2c2d 3138 332e 3731 2034  399.06,-183.71 4\n-00001d60: 3131 2e39 322c 2d31 3738 2034 3232 2e38  11.92,-178 422.8\n-00001d70: 312c 2d31 3732 2e32 3422 2f3e 0a3c 706f  1,-172.24\"/>.<po\n-00001d80: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n-00001d90: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n-00001da0: 6363 3238 2220 706f 696e 7473 3d22 3432  cc28\" points=\"42\n-00001db0: 342e 3738 2c2d 3137 352e 3135 2034 3331  4.78,-175.15 431\n-00001dc0: 2e38 322c 2d31 3637 2e32 3320 3432 312e  .82,-167.23 421.\n-00001dd0: 3338 2c2d 3136 392e 3033 2034 3234 2e37  38,-169.03 424.7\n-00001de0: 382c 2d31 3735 2e31 3522 2f3e 0a3c 2f67  8,-175.15\"/>.</g\n-00001df0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00001e00: 635f 6772 6f6d 6163 735f 746f 6f6c 7320  c_gromacs_tools \n-00001e10: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6533  -->.<g id=\"node3\n-00001e20: 3822 2063 6c61 7373 3d22 6e6f 6465 223e  8\" class=\"node\">\n+000002c0: 626c 6163 6b22 2070 6f69 6e74 733d 2238  black\" points=\"8\n+000002d0: 2c2d 3820 382c 2d31 3333 312e 3237 2032  ,-8 8,-1331.27 2\n+000002e0: 3337 322c 2d31 3333 312e 3237 2032 3337  372,-1331.27 237\n+000002f0: 322c 2d38 2038 2c2d 3822 2f3e 0a3c 7465  2,-8 8,-8\"/>.<te\n+00000300: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n+00000310: 6d69 6464 6c65 2220 783d 2231 3139 3022  middle\" x=\"1190\"\n+00000320: 2079 3d22 2d31 3331 362e 3037 2220 666f   y=\"-1316.07\" fo\n+00000330: 6e74 2d66 616d 696c 793d 2254 696d 6573  nt-family=\"Times\n+00000340: 2c73 6572 6966 2220 666f 6e74 2d73 697a  ,serif\" font-siz\n+00000350: 653d 2231 342e 3030 223e 6c69 6267 726f  e=\"14.00\">libgro\n+00000360: 6d61 6373 3c2f 7465 7874 3e0a 3c2f 673e  macs</text>.</g>\n+00000370: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00000380: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+00000390: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+000003a0: 3122 2063 6c61 7373 3d22 6e6f 6465 223e  1\" class=\"node\">\n+000003b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000003c0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+000003d0: 6573 3c2f 7469 746c 653e 0a3c 656c 6c69  es</title>.<elli\n+000003e0: 7073 6520 6669 6c6c 3d22 2362 6662 6662  pse fill=\"#bfbfb\n+000003f0: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+00000400: 2220 6378 3d22 3738 3922 2063 793d 222d  \" cx=\"789\" cy=\"-\n+00000410: 3130 3938 2e32 3322 2072 783d 2233 382e  1098.23\" rx=\"38.\n+00000420: 3337 2220 7279 3d22 3133 2e33 3722 2f3e  37\" ry=\"13.37\"/>\n+00000430: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n+00000440: 6f72 3d22 6d69 6464 6c65 2220 783d 2237  or=\"middle\" x=\"7\n+00000450: 3839 2220 793d 222d 3130 3935 2e37 3322  89\" y=\"-1095.73\"\n+00000460: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+00000470: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+00000480: 653d 2231 302e 3030 223e 6d64 7479 7065  e=\"10.00\">mdtype\n+00000490: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  s</text>.</g>.<!\n+000004a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000004b0: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n+000004c0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534  -->.<g id=\"node4\n+000004d0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+000004e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000004f0: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00000500: 696c 733c 2f74 6974 6c65 3e0a 3c65 6c6c  ils</title>.<ell\n+00000510: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+00000520: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+00000530: 6b22 2063 783d 2239 3034 2220 6379 3d22  k\" cx=\"904\" cy=\"\n+00000540: 2d31 3033 352e 3336 2220 7278 3d22 3339  -1035.36\" rx=\"39\n+00000550: 2e37 2220 7279 3d22 3133 2e33 3722 2f3e  .7\" ry=\"13.37\"/>\n+00000560: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n+00000570: 6f72 3d22 6d69 6464 6c65 2220 783d 2239  or=\"middle\" x=\"9\n+00000580: 3034 2220 793d 222d 3130 3332 2e38 3622  04\" y=\"-1032.86\"\n+00000590: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+000005a0: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+000005b0: 653d 2231 302e 3030 223e 6770 755f 7574  e=\"10.00\">gpu_ut\n+000005c0: 696c 733c 2f74 6578 743e 0a3c 2f67 3e0a  ils</text>.</g>.\n+000005d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000005e0: 6772 6f6d 6163 735f 6d64 7479 7065 7326  gromacs_mdtypes&\n+000005f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00000600: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+00000610: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n+00000620: 6564 6765 3122 2063 6c61 7373 3d22 6564  edge1\" class=\"ed\n+00000630: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00000640: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00000650: 6474 7970 6573 2623 3435 3b26 6774 3b6d  dtypes&#45;&gt;m\n+00000660: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00000670: 735f 6770 755f 7574 696c 733c 2f74 6974  s_gpu_utils</tit\n+00000680: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00000690: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+000006a0: 3832 6663 6322 2064 3d22 4d38 3035 2e32  82fcc\" d=\"M805.2\n+000006b0: 322c 2d31 3038 352e 3738 4338 3232 2e34  2,-1085.78C822.4\n+000006c0: 2c2d 3130 3735 2e38 3220 3834 392e 3631  ,-1075.82 849.61\n+000006d0: 2c2d 3130 3631 2e33 3420 3837 312e 3232  ,-1061.34 871.22\n+000006e0: 2c2d 3130 3530 2e36 3322 2f3e 0a3c 706f  ,-1050.63\"/>.<po\n+000006f0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00000700: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00000710: 3266 6363 2220 706f 696e 7473 3d22 3837  2fcc\" points=\"87\n+00000720: 322e 3934 2c2d 3130 3533 2e36 3820 3838  2.94,-1053.68 88\n+00000730: 302e 3339 2c2d 3130 3436 2e31 3520 3836  0.39,-1046.15 86\n+00000740: 392e 3837 2c2d 3130 3437 2e33 3920 3837  9.87,-1047.39 87\n+00000750: 322e 3934 2c2d 3130 3533 2e36 3822 2f3e  2.94,-1053.68\"/>\n+00000760: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00000770: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00000780: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+00000790: 6e6f 6465 3722 2063 6c61 7373 3d22 6e6f  node7\" class=\"no\n+000007a0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+000007b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+000007c0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c67  omdec</title>.<g\n+000007d0: 2069 643d 2261 5f6e 6f64 6537 223e 3c61   id=\"a_node7\"><a\n+000007e0: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n+000007f0: 7570 5f5f 6d6f 6475 6c65 5f5f 646f 6d64  up__module__domd\n+00000800: 6563 2e78 6874 6d6c 2220 7461 7267 6574  ec.xhtml\" target\n+00000810: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n+00000820: 746c 653d 2264 6f6d 6465 6322 3e0a 3c65  tle=\"domdec\">.<e\n+00000830: 6c6c 6970 7365 2066 696c 6c3d 2223 6535  llipse fill=\"#e5\n+00000840: 6363 6666 2220 7374 726f 6b65 3d22 626c  ccff\" stroke=\"bl\n+00000850: 6163 6b22 2063 783d 2239 3532 2220 6379  ack\" cx=\"952\" cy\n+00000860: 3d22 2d32 3138 2e30 3522 2072 783d 2233  =\"-218.05\" rx=\"3\n+00000870: 362e 3132 2220 7279 3d22 3133 2e33 3722  6.12\" ry=\"13.37\"\n+00000880: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n+00000890: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n+000008a0: 2239 3532 2220 793d 222d 3231 352e 3535  \"952\" y=\"-215.55\n+000008b0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+000008c0: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+000008d0: 7a65 3d22 3130 2e30 3022 3e64 6f6d 6465  ze=\"10.00\">domde\n+000008e0: 633c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  c</text>.</a>.</\n+000008f0: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n+00000900: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00000910: 6d64 7479 7065 7326 2334 353b 2667 743b  mdtypes&#45;&gt;\n+00000920: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00000930: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n+00000940: 2069 643d 2265 6467 6532 2220 636c 6173   id=\"edge2\" clas\n+00000950: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00000960: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00000970: 6163 735f 6d64 7479 7065 7326 2334 353b  acs_mdtypes&#45;\n+00000980: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00000990: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+000009a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000009b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000009c0: 7265 6422 2064 3d22 4d37 3530 2e39 362c  red\" d=\"M750.96,\n+000009d0: 2d31 3039 362e 3933 4336 3635 2e31 352c  -1096.93C665.15,\n+000009e0: 2d31 3039 352e 3537 2034 3630 2e35 372c  -1095.57 460.57,\n+000009f0: 2d31 3038 382e 3233 2034 3037 2c2d 3130  -1088.23 407,-10\n+00000a00: 3438 2e37 3920 3338 372e 3832 2c2d 3130  48.79 387.82,-10\n+00000a10: 3334 2e36 3720 3232 382c 2d36 3832 2e39  34.67 228,-682.9\n+00000a20: 3620 3232 382c 2d36 3539 2e31 3420 3232  6 228,-659.14 22\n+00000a30: 382c 2d36 3539 2e31 3420 3232 382c 2d36  8,-659.14 228,-6\n+00000a40: 3539 2e31 3420 3232 382c 2d35 3934 2e32  59.14 228,-594.2\n+00000a50: 3720 3232 382c 2d34 3430 2e34 3420 3231  7 228,-440.44 21\n+00000a60: 372e 3036 2c2d 3335 372e 3220 3334 322c  7.06,-357.2 342,\n+00000a70: 2d32 3637 2e34 3820 3334 342e 3835 2c2d  -267.48 344.85,-\n+00000a80: 3236 352e 3433 2037 3636 2e33 322c 2d32  265.43 766.32,-2\n+00000a90: 3332 2e37 2039 3036 2e39 392c 2d32 3232  32.7 906.99,-222\n+00000aa0: 2e32 3422 2f3e 0a3c 706f 6c79 676f 6e20  .24\"/>.<polygon \n+00000ab0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n+00000ac0: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n+00000ad0: 3930 372e 332c 2d32 3235 2e37 3220 3931  907.3,-225.72 91\n+00000ae0: 372e 3031 2c2d 3232 312e 3439 2039 3036  7.01,-221.49 906\n+00000af0: 2e37 382c 2d32 3138 2e37 3420 3930 372e  .78,-218.74 907.\n+00000b00: 332c 2d32 3235 2e37 3222 2f3e 0a3c 2f67  3,-225.72\"/>.</g\n+00000b10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00000b20: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n+00000b30: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6532  -->.<g id=\"node2\n+00000b40: 3322 2063 6c61 7373 3d22 6e6f 6465 223e  3\" class=\"node\">\n+00000b50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00000b60: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00000b70: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n+00000b80: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n+00000b90: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00000ba0: 6378 3d22 3133 3630 2220 6379 3d22 2d33  cx=\"1360\" cy=\"-3\n+00000bb0: 3433 2e37 3922 2072 783d 2232 382e 3037  43.79\" rx=\"28.07\n+00000bc0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+00000bd0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+00000be0: 3d22 6d69 6464 6c65 2220 783d 2231 3336  =\"middle\" x=\"136\n+00000bf0: 3022 2079 3d22 2d33 3431 2e32 3922 2066  0\" y=\"-341.29\" f\n+00000c00: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+00000c10: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+00000c20: 2231 302e 3030 223e 6d64 6c69 623c 2f74  \"10.00\">mdlib</t\n+00000c30: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00000c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00000c50: 735f 6d64 7479 7065 7326 2334 353b 2667  s_mdtypes&#45;&g\n+00000c60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00000c70: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c  macs_mdlib -->.<\n+00000c80: 6720 6964 3d22 6564 6765 3422 2063 6c61  g id=\"edge4\" cla\n+00000c90: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00000ca0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00000cb0: 6d61 6373 5f6d 6474 7970 6573 2623 3435  macs_mdtypes&#45\n+00000cc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00000cd0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74  gromacs_mdlib</t\n+00000ce0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00000cf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00000d00: 2362 6662 6662 6622 2064 3d22 4d38 3230  #bfbfbf\" d=\"M820\n+00000d10: 2e39 322c 2d31 3039 302e 3739 4338 3732  .92,-1090.79C872\n+00000d20: 2e30 312c 2d31 3038 312e 3536 2039 3734  .01,-1081.56 974\n+00000d30: 2e36 352c 2d31 3036 342e 3033 2031 3036  .65,-1064.03 106\n+00000d40: 322c 2d31 3034 382e 3739 2031 3337 372e  2,-1048.79 1377.\n+00000d50: 372c 2d39 3933 2e37 3220 3135 3530 2e39  7,-993.72 1550.9\n+00000d60: 382c 2d31 3135 352e 3131 2031 3737 322c  8,-1155.11 1772,\n+00000d70: 2d39 3233 2e30 3520 3137 3939 2e36 322c  -923.05 1799.62,\n+00000d80: 2d38 3934 2e30 3620 3137 3935 2e36 332c  -894.06 1795.63,\n+00000d90: 2d38 3730 2e31 3820 3137 3830 2c2d 3833  -870.18 1780,-83\n+00000da0: 332e 3331 2031 3737 332e 3536 2c2d 3831  3.31 1773.56,-81\n+00000db0: 382e 3131 2031 3335 392e 3634 2c2d 3433  8.11 1359.64,-43\n+00000dc0: 352e 3220 3133 3533 2c2d 3432 302e 3039  5.2 1353,-420.09\n+00000dd0: 2031 3334 352e 3536 2c2d 3430 332e 3136   1345.56,-403.16\n+00000de0: 2031 3334 352e 3733 2c2d 3338 312e 3937   1345.73,-381.97\n+00000df0: 2031 3334 382e 3838 2c2d 3336 362e 3338   1348.88,-366.38\n+00000e00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00000e10: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00000e20: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+00000e30: 6e74 733d 2231 3335 322e 332c 2d33 3637  nts=\"1352.3,-367\n+00000e40: 2e31 3720 3133 3531 2e34 392c 2d33 3536  .17 1351.49,-356\n+00000e50: 2e36 2031 3334 352e 3533 2c2d 3336 352e  .6 1345.53,-365.\n+00000e60: 3336 2031 3335 322e 332c 2d33 3637 2e31  36 1352.3,-367.1\n+00000e70: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n+00000e80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00000e90: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n+00000ea0: 6964 3d22 6e6f 6465 3431 2220 636c 6173  id=\"node41\" clas\n+00000eb0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+00000ec0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00000ed0: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n+00000ee0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n+00000ef0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00000f00: 653d 2262 6c61 636b 2220 6378 3d22 3133  e=\"black\" cx=\"13\n+00000f10: 3833 2220 6379 3d22 2d37 3833 2e38 3822  83\" cy=\"-783.88\"\n+00000f20: 2072 783d 2232 3722 2072 793d 2231 332e   rx=\"27\" ry=\"13.\n+00000f30: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00000f40: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+00000f50: 2078 3d22 3133 3833 2220 793d 222d 3738   x=\"1383\" y=\"-78\n+00000f60: 312e 3338 2220 666f 6e74 2d66 616d 696c  1.38\" font-famil\n+00000f70: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00000f80: 742d 7369 7a65 3d22 3130 2e30 3022 3e66  t-size=\"10.00\">f\n+00000f90: 696c 6569 6f3c 2f74 6578 743e 0a3c 2f67  ileio</text>.</g\n+00000fa0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00000fb0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00000fc0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00000fd0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+00000fe0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+00000ff0: 6467 6536 2220 636c 6173 733d 2265 6467  dge6\" class=\"edg\n+00001000: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00001010: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00001020: 7479 7065 7326 2334 353b 2667 743b 6d6f  types&#45;&gt;mo\n+00001030: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00001040: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n+00001050: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00001060: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00001070: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n+00001080: 7261 793d 2235 2c32 2220 643d 224d 3832  ray=\"5,2\" d=\"M82\n+00001090: 312e 3437 2c2d 3130 3931 2e31 4338 3638  1.47,-1091.1C868\n+000010a0: 2e37 312c 2d31 3038 322e 3539 2039 3533  .71,-1082.59 953\n+000010b0: 2e30 322c 2d31 3036 362e 3234 2039 3739  .02,-1066.24 979\n+000010c0: 2c2d 3130 3438 2e37 3920 3130 3238 2e30  ,-1048.79 1028.0\n+000010d0: 372c 2d31 3031 352e 3833 2031 3038 352e  7,-1015.83 1085.\n+000010e0: 332c 2d38 3635 2e33 3120 3131 3335 2c2d  3,-865.31 1135,-\n+000010f0: 3833 332e 3331 2031 3136 392e 3038 2c2d  833.31 1169.08,-\n+00001100: 3831 312e 3337 2031 3238 352e 3932 2c2d  811.37 1285.92,-\n+00001110: 3739 352e 3135 2031 3334 362e 3339 2c2d  795.15 1346.39,-\n+00001120: 3738 382e 3337 222f 3e0a 3c70 6f6c 7967  788.37\"/>.<polyg\n+00001130: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00001140: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00001150: 3822 2070 6f69 6e74 733d 2231 3334 372e  8\" points=\"1347.\n+00001160: 3038 2c2d 3739 312e 3832 2031 3335 362e  08,-791.82 1356.\n+00001170: 3634 2c2d 3738 372e 3235 2031 3334 362e  64,-787.25 1346.\n+00001180: 3332 2c2d 3738 342e 3836 2031 3334 372e  32,-784.86 1347.\n+00001190: 3038 2c2d 3739 312e 3832 222f 3e0a 3c2f  08,-791.82\"/>.</\n+000011a0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000011b0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+000011c0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+000011d0: 3432 2220 636c 6173 733d 226e 6f64 6522  42\" class=\"node\"\n+000011e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000011f0: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n+00001200: 643c 2f74 6974 6c65 3e0a 3c67 2069 643d  d</title>.<g id=\n+00001210: 2261 5f6e 6f64 6534 3222 3e3c 6120 786c  \"a_node42\"><a xl\n+00001220: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n+00001230: 5f6d 6f64 756c 655f 5f65 7761 6c64 2e78  _module__ewald.x\n+00001240: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n+00001250: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n+00001260: 2265 7761 6c64 223e 0a3c 656c 6c69 7073  \"ewald\">.<ellips\n+00001270: 6520 6669 6c6c 3d22 2365 3563 6366 6622  e fill=\"#e5ccff\"\n+00001280: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00001290: 6378 3d22 3638 3922 2063 793d 222d 3430  cx=\"689\" cy=\"-40\n+000012a0: 362e 3636 2220 7278 3d22 3238 2e39 3822  6.66\" rx=\"28.98\"\n+000012b0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+000012c0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+000012d0: 226d 6964 646c 6522 2078 3d22 3638 3922  \"middle\" x=\"689\"\n+000012e0: 2079 3d22 2d34 3034 2e31 3622 2066 6f6e   y=\"-404.16\" fon\n+000012f0: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+00001300: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+00001310: 302e 3030 223e 6577 616c 643c 2f74 6578  0.00\">ewald</tex\n+00001320: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+00001330: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00001340: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00001350: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00001360: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+00001370: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564  ld -->.<g id=\"ed\n+00001380: 6765 3522 2063 6c61 7373 3d22 6564 6765  ge5\" class=\"edge\n+00001390: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000013a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000013b0: 7970 6573 2623 3435 3b26 6774 3b6d 6f64  ypes&#45;&gt;mod\n+000013c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000013d0: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70  ewald</title>.<p\n+000013e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+000013f0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00001400: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00001410: 793d 2235 2c32 2220 643d 224d 3735 302e  y=\"5,2\" d=\"M750.\n+00001420: 3835 2c2d 3130 3936 2e37 3143 3638 332e  85,-1096.71C683.\n+00001430: 3631 2c2d 3130 3933 2e36 3320 3534 372e  61,-1093.63 547.\n+00001440: 3832 2c2d 3130 3736 2e33 3320 3530 362c  82,-1076.33 506,\n+00001450: 2d39 3835 2e39 3220 3439 392e 3336 2c2d  -985.92 499.36,-\n+00001460: 3937 312e 3537 2034 3538 2e34 362c 2d36  971.57 458.46,-6\n+00001470: 3837 2e34 3420 3535 392c 2d35 3138 2e39  87.44 559,-518.9\n+00001480: 3620 3537 332e 3232 2c2d 3439 352e 3133  6 573.22,-495.13\n+00001490: 2035 3931 2e34 342c 2d35 3033 2e35 3920   591.44,-503.59 \n+000014a0: 3631 302c 2d34 3832 2e39 3620 3631 392e  610,-482.96 619.\n+000014b0: 3135 2c2d 3437 322e 3739 2036 3136 2e34  15,-472.79 616.4\n+000014c0: 312c 2d34 3636 2e37 3320 3632 352c 2d34  1,-466.73 625,-4\n+000014d0: 3536 2e30 3920 3633 352e 3039 2c2d 3434  56.09 635.09,-44\n+000014e0: 332e 3538 2036 3438 2e36 322c 2d34 3331  3.58 648.62,-431\n+000014f0: 2e36 3220 3636 302e 3831 2c2d 3432 322e  .62 660.81,-422.\n+00001500: 3732 222f 3e0a 3c70 6f6c 7967 6f6e 2066  72\"/>.<polygon f\n+00001510: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00001520: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00001530: 6f69 6e74 733d 2236 3633 2e31 342c 2d34  oints=\"663.14,-4\n+00001540: 3235 2e33 3620 3636 392e 3339 2c2d 3431  25.36 669.39,-41\n+00001550: 362e 3831 2036 3539 2e31 372c 2d34 3139  6.81 659.17,-419\n+00001560: 2e36 2036 3633 2e31 342c 2d34 3235 2e33  .6 663.14,-425.3\n+00001570: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+00001580: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00001590: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+000015a0: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n+000015b0: 6e6f 6465 3438 2220 636c 6173 733d 226e  node48\" class=\"n\n+000015c0: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+000015d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000015e0: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+000015f0: 7768 3c2f 7469 746c 653e 0a3c 6720 6964  wh</title>.<g id\n+00001600: 3d22 615f 6e6f 6465 3438 223e 3c61 2078  =\"a_node48\"><a x\n+00001610: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+00001620: 5f5f 6d6f 6475 6c65 5f5f 6177 682e 7868  __module__awh.xh\n+00001630: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n+00001640: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n+00001650: 6177 6822 3e0a 3c65 6c6c 6970 7365 2066  awh\">.<ellipse f\n+00001660: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00001670: 653d 2262 6c61 636b 2220 6378 3d22 3136  e=\"black\" cx=\"16\n+00001680: 3136 2220 6379 3d22 2d37 3231 2e30 3122  16\" cy=\"-721.01\"\n+00001690: 2072 783d 2232 3722 2072 793d 2231 332e   rx=\"27\" ry=\"13.\n+000016a0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+000016b0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000016c0: 2078 3d22 3136 3136 2220 793d 222d 3731   x=\"1616\" y=\"-71\n+000016d0: 382e 3531 2220 666f 6e74 2d66 616d 696c  8.51\" font-famil\n+000016e0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+000016f0: 742d 7369 7a65 3d22 3130 2e30 3022 3e61  t-size=\"10.00\">a\n+00001700: 7768 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  wh</text>.</a>.<\n+00001710: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+00001720: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00001730: 5f6d 6474 7970 6573 2623 3435 3b26 6774  _mdtypes&#45;&gt\n+00001740: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00001750: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00001760: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n+00001770: 3d22 6564 6765 3322 2063 6c61 7373 3d22  =\"edge3\" class=\"\n+00001780: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00001790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000017a0: 5f6d 6474 7970 6573 2623 3435 3b26 6774  _mdtypes&#45;&gt\n+000017b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000017c0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+000017d0: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c  es_awh</title>.<\n+000017e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000017f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00001800: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00001810: 6179 3d22 352c 3222 2064 3d22 4d38 3138  ay=\"5,2\" d=\"M818\n+00001820: 2e31 372c 2d31 3038 392e 3534 4338 3538  .17,-1089.54C858\n+00001830: 2e37 332c 2d31 3038 302e 3135 2039 3333  .73,-1080.15 933\n+00001840: 2e37 392c 2d31 3036 332e 3637 2039 3938  .79,-1063.67 998\n+00001850: 2c2d 3130 3438 2e37 3920 3132 3330 2e30  ,-1048.79 1230.0\n+00001860: 352c 2d39 3935 2e30 3120 3132 3839 2e35  5,-995.01 1289.5\n+00001870: 322c 2d39 3836 2e39 3320 3135 3139 2c2d  2,-986.93 1519,-\n+00001880: 3932 332e 3035 2031 3535 372e 3137 2c2d  923.05 1557.17,-\n+00001890: 3931 322e 3433 2031 3536 362e 3134 2c2d  912.43 1566.14,-\n+000018a0: 3930 372e 3834 2031 3630 342c 2d38 3936  907.84 1604,-896\n+000018b0: 2e31 3820 3136 3537 2e32 312c 2d38 3739  .18 1657.21,-879\n+000018c0: 2e37 3920 3136 3930 2e37 362c 2d39 3034  .79 1690.76,-904\n+000018d0: 2e38 3520 3137 3234 2c2d 3836 302e 3138  .85 1724,-860.18\n+000018e0: 2031 3733 312e 3133 2c2d 3835 302e 3620   1731.13,-850.6 \n+000018f0: 3137 3239 2e37 362c 2d38 3433 2e37 3720  1729.76,-843.77 \n+00001900: 3137 3234 2c2d 3833 332e 3331 2031 3730  1724,-833.31 170\n+00001910: 392e 3534 2c2d 3830 372e 3037 2031 3638  9.54,-807.07 168\n+00001920: 392e 3331 2c2d 3831 372e 3331 2031 3636  9.31,-817.31 166\n+00001930: 372c 2d37 3937 2e33 3120 3136 3439 2e31  7,-797.31 1649.1\n+00001940: 362c 2d37 3831 2e33 3320 3136 3332 2e35  6,-781.33 1632.5\n+00001950: 2c2d 3735 392e 3635 2031 3632 322e 3836  ,-759.65 1622.86\n+00001960: 2c2d 3734 332e 3636 222f 3e0a 3c70 6f6c  ,-743.66\"/>.<pol\n+00001970: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00001980: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00001990: 6663 6322 2070 6f69 6e74 733d 2231 3632  fcc\" points=\"162\n+000019a0: 352e 3732 2c2d 3734 312e 3539 2031 3631  5.72,-741.59 161\n+000019b0: 372e 3832 2c2d 3733 342e 3533 2031 3631  7.82,-734.53 161\n+000019c0: 392e 3539 2c2d 3734 342e 3938 2031 3632  9.59,-744.98 162\n+000019d0: 352e 3732 2c2d 3734 312e 3539 222f 3e0a  5.72,-741.59\"/>.\n+000019e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000019f0: 5f73 7263 5f67 726f 6d61 6373 5f73 7461  _src_gromacs_sta\n+00001a00: 7469 7374 6963 7320 2d2d 3e0a 3c67 2069  tistics -->.<g i\n+00001a10: 643d 226e 6f64 6532 2220 636c 6173 733d  d=\"node2\" class=\n+00001a20: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00001a30: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00001a40: 735f 7374 6174 6973 7469 6373 3c2f 7469  s_statistics</ti\n+00001a50: 746c 653e 0a3c 656c 6c69 7073 6520 6669  tle>.<ellipse fi\n+00001a60: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00001a70: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+00001a80: 3135 3032 2220 6379 3d22 2d38 3436 2e37  1502\" cy=\"-846.7\n+00001a90: 3522 2072 783d 2233 392e 3722 2072 793d  5\" rx=\"39.7\" ry=\n+00001aa0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+00001ab0: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+00001ac0: 646c 6522 2078 3d22 3135 3032 2220 793d  dle\" x=\"1502\" y=\n+00001ad0: 222d 3834 342e 3235 2220 666f 6e74 2d66  \"-844.25\" font-f\n+00001ae0: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00001af0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00001b00: 3022 3e73 7461 7469 7374 6963 733c 2f74  0\">statistics</t\n+00001b10: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00001b20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00001b30: 735f 676d 786c 6962 202d 2d3e 0a3c 6720  s_gmxlib -->.<g \n+00001b40: 6964 3d22 6e6f 6465 3322 2063 6c61 7373  id=\"node3\" class\n+00001b50: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n+00001b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00001b70: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n+00001b80: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00001b90: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00001ba0: 3d22 626c 6163 6b22 2063 783d 2238 3332  =\"black\" cx=\"832\n+00001bb0: 2220 6379 3d22 2d39 3039 2e36 3222 2072  \" cy=\"-909.62\" r\n+00001bc0: 783d 2233 312e 3634 2220 7279 3d22 3133  x=\"31.64\" ry=\"13\n+00001bd0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+00001be0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00001bf0: 2220 783d 2238 3332 2220 793d 222d 3930  \" x=\"832\" y=\"-90\n+00001c00: 372e 3132 2220 666f 6e74 2d66 616d 696c  7.12\" font-famil\n+00001c10: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00001c20: 742d 7369 7a65 3d22 3130 2e30 3022 3e67  t-size=\"10.00\">g\n+00001c30: 6d78 6c69 623c 2f74 6578 743e 0a3c 2f67  mxlib</text>.</g\n+00001c40: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00001c50: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00001c60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00001c70: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00001c80: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n+00001c90: 6467 6538 2220 636c 6173 733d 2265 6467  dge8\" class=\"edg\n+00001ca0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00001cb0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00001cc0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64  xlib&#45;&gt;mod\n+00001cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00001ce0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a  mdtypes</title>.\n+00001cf0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00001d00: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00001d10: 6622 2064 3d22 4d38 3239 2e31 322c 2d39  f\" d=\"M829.12,-9\n+00001d20: 3233 2e31 4338 3231 2e39 362c 2d39 3534  23.1C821.96,-954\n+00001d30: 2e31 3820 3830 332e 3235 2c2d 3130 3335  .18 803.25,-1035\n+00001d40: 2e33 3820 3739 342e 3134 2c2d 3130 3734  .38 794.14,-1074\n+00001d50: 2e39 3422 2f3e 0a3c 706f 6c79 676f 6e20  .94\"/>.<polygon \n+00001d60: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00001d70: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00001d80: 706f 696e 7473 3d22 3739 302e 3732 2c2d  points=\"790.72,-\n+00001d90: 3130 3734 2e31 3620 3739 312e 3839 2c2d  1074.16 791.89,-\n+00001da0: 3130 3834 2e36 3920 3739 372e 3534 2c2d  1084.69 797.54,-\n+00001db0: 3130 3735 2e37 3320 3739 302e 3732 2c2d  1075.73 790.72,-\n+00001dc0: 3130 3734 2e31 3622 2f3e 0a3c 2f67 3e0a  1074.16\"/>.</g>.\n+00001dd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00001de0: 6772 6f6d 6163 735f 676d 786c 6962 2623  gromacs_gmxlib&#\n+00001df0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00001e00: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n+00001e10: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00001e20: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n 00001e30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00001e40: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00001e50: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-00001e60: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-00001e70: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00001e80: 6378 3d22 3937 342e 3536 2220 6379 3d22  cx=\"974.56\" cy=\"\n-00001e90: 2d31 3136 312e 3122 2072 783d 2232 3722  -1161.1\" rx=\"27\"\n-00001ea0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00001eb0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-00001ec0: 226d 6964 646c 6522 2078 3d22 3937 342e  \"middle\" x=\"974.\n-00001ed0: 3536 2220 793d 222d 3131 3538 2e36 2220  56\" y=\"-1158.6\" \n-00001ee0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-00001ef0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-00001f00: 3d22 3130 2e30 3022 3e74 6f6f 6c73 3c2f  =\"10.00\">tools</\n-00001f10: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n-00001f20: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n-00001f30: 616d 735f 6d64 7275 6e5f 7465 7374 7326  ams_mdrun_tests&\n-00001f40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00001f50: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00001f60: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00001f70: 3238 3222 2063 6c61 7373 3d22 6564 6765  282\" class=\"edge\n-00001f80: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00001f90: 5f73 7263 5f70 726f 6772 616d 735f 6d64  _src_programs_md\n-00001fa0: 7275 6e5f 7465 7374 7326 2334 353b 2667  run_tests&#45;&g\n-00001fb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00001fc0: 6d61 6373 5f74 6f6f 6c73 3c2f 7469 746c  macs_tools</titl\n-00001fd0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00001fe0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263  one\" stroke=\"#2c\n-00001ff0: 6363 3238 2220 7374 726f 6b65 2d64 6173  cc28\" stroke-das\n-00002000: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00002010: 4d31 3433 2e38 352c 2d31 3635 2e31 3443  M143.85,-165.14C\n-00002020: 3135 352e 3031 2c2d 3136 362e 3535 2031  155.01,-166.55 1\n-00002030: 3636 2e36 332c 2d31 3637 2e38 2031 3737  66.63,-167.8 177\n-00002040: 2e35 362c 2d31 3638 2e36 3120 3235 352e  .56,-168.61 255.\n-00002050: 3835 2c2d 3137 342e 3338 2032 3934 302e  85,-174.38 2940.\n-00002060: 3437 2c2d 3135 372e 3838 2033 3030 332e  47,-157.88 3003.\n-00002070: 3536 2c2d 3230 342e 3631 2033 3033 312e  56,-204.61 3031.\n-00002080: 3739 2c2d 3232 352e 3532 2033 3032 372e  79,-225.52 3027.\n-00002090: 3536 2c2d 3234 342e 3739 2033 3032 372e  56,-244.79 3027.\n-000020a0: 3536 2c2d 3237 392e 3932 2033 3032 372e  56,-279.92 3027.\n-000020b0: 3536 2c2d 3937 332e 3439 2033 3032 372e  56,-973.49 3027.\n-000020c0: 3536 2c2d 3937 332e 3439 2033 3032 372e  56,-973.49 3027.\n-000020d0: 3536 2c2d 3937 332e 3439 2033 3032 372e  56,-973.49 3027.\n-000020e0: 3536 2c2d 3130 3436 2e31 2032 3935 322e  56,-1046.1 2952.\n-000020f0: 3338 2c2d 3130 3238 2e38 3320 3238 3832  38,-1028.83 2882\n-00002100: 2e35 362c 2d31 3034 382e 3739 2032 3531  .56,-1048.79 251\n-00002110: 322e 342c 2d31 3135 342e 3634 2031 3234  2.4,-1154.64 124\n-00002120: 352e 3531 2c2d 3131 3630 2e30 3520 3130  5.51,-1160.05 10\n-00002130: 3131 2e37 392c 2d31 3136 302e 3134 222f  11.79,-1160.14\"/\n-00002140: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00002150: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00002160: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n-00002170: 733d 2231 3031 312e 3735 2c2d 3131 3536  s=\"1011.75,-1156\n-00002180: 2e36 3320 3130 3031 2e37 352c 2d31 3136  .63 1001.75,-116\n-00002190: 302e 3134 2031 3031 312e 3735 2c2d 3131  0.14 1011.75,-11\n-000021a0: 3633 2e36 3320 3130 3131 2e37 352c 2d31  63.63 1011.75,-1\n-000021b0: 3135 362e 3633 222f 3e0a 3c2f 673e 0a3c  156.63\"/>.</g>.<\n-000021c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000021d0: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-000021e0: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22  cess -->.<g id=\"\n-000021f0: 6e6f 6465 3435 2220 636c 6173 733d 226e  node45\" class=\"n\n-00002200: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-00002210: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00002220: 676d 7870 7265 7072 6f63 6573 733c 2f74  gmxpreprocess</t\n-00002230: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n-00002240: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00002250: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00002260: 2231 3339 312e 3536 2220 6379 3d22 2d31  \"1391.56\" cy=\"-1\n-00002270: 3039 382e 3233 2220 7278 3d22 3538 2e38  098.23\" rx=\"58.8\n-00002280: 3822 2072 793d 2231 332e 3337 222f 3e0a  8\" ry=\"13.37\"/>.\n-00002290: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n-000022a0: 723d 226d 6964 646c 6522 2078 3d22 3133  r=\"middle\" x=\"13\n-000022b0: 3931 2e35 3622 2079 3d22 2d31 3039 352e  91.56\" y=\"-1095.\n-000022c0: 3733 2220 666f 6e74 2d66 616d 696c 793d  73\" font-family=\n-000022d0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-000022e0: 7369 7a65 3d22 3130 2e30 3022 3e67 6d78  size=\"10.00\">gmx\n-000022f0: 7072 6570 726f 6365 7373 3c2f 7465 7874  preprocess</text\n-00002300: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00002310: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n-00002320: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n-00002330: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00002340: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-00002350: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22  cess -->.<g id=\"\n-00002360: 6564 6765 3237 3722 2063 6c61 7373 3d22  edge277\" class=\"\n-00002370: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00002380: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n-00002390: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n-000023a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000023b0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-000023c0: 726f 6365 7373 3c2f 7469 746c 653e 0a3c  rocess</title>.<\n-000023d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000023e0: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-000023f0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00002400: 6179 3d22 352c 3222 2064 3d22 4d31 3433  ay=\"5,2\" d=\"M143\n-00002410: 2e38 352c 2d31 3635 2e31 3143 3135 352e  .85,-165.11C155.\n-00002420: 3032 2c2d 3136 362e 3533 2031 3636 2e36  02,-166.53 166.6\n-00002430: 332c 2d31 3637 2e37 3920 3137 372e 3536  3,-167.79 177.56\n-00002440: 2c2d 3136 382e 3631 2036 3832 2e38 362c  ,-168.61 682.86,\n-00002450: 2d32 3036 2e36 3120 3139 3534 2e35 362c  -206.61 1954.56,\n-00002460: 2d31 3433 2e32 3120 3234 3537 2e35 362c  -143.21 2457.56,\n-00002470: 2d32 3034 2e36 3120 3235 3830 2e37 322c  -204.61 2580.72,\n-00002480: 2d32 3139 2e36 3420 3236 3239 2e39 362c  -219.64 2629.96,\n-00002490: 2d31 3933 2e34 3920 3237 3239 2e35 362c  -193.49 2729.56,\n-000024a0: 2d32 3637 2e34 3820 3238 3335 2e32 392c  -267.48 2835.29,\n-000024b0: 2d33 3436 2e30 3320 3238 3330 2c2d 3737  -346.03 2830,-77\n-000024c0: 312e 3536 2032 3733 322e 3536 2c2d 3836  1.56 2732.56,-86\n-000024d0: 302e 3138 2032 3636 372e 372c 2d39 3139  0.18 2667.7,-919\n-000024e0: 2e31 3820 3236 3238 2e38 362c 2d38 3935  .18 2628.86,-895\n-000024f0: 2e36 3920 3235 3435 2e35 362c 2d39 3233  .69 2545.56,-923\n-00002500: 2e30 3520 3233 3731 2e37 332c 2d39 3830  .05 2371.73,-980\n-00002510: 2e31 3520 3233 3333 2e33 342c 2d31 3031  .15 2333.34,-101\n-00002520: 342e 3739 2032 3135 332e 3536 2c2d 3130  4.79 2153.56,-10\n-00002530: 3438 2e37 3920 3230 3231 2e34 312c 2d31  48.79 2021.41,-1\n-00002540: 3037 332e 3739 2031 3631 392e 3939 2c2d  073.79 1619.99,-\n-00002550: 3130 3839 2e35 3920 3134 3539 2e32 312c  1089.59 1459.21,\n-00002560: 2d31 3039 352e 3037 222f 3e0a 3c70 6f6c  -1095.07\"/>.<pol\n-00002570: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n-00002580: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n-00002590: 6332 3822 2070 6f69 6e74 733d 2231 3435  c28\" points=\"145\n-000025a0: 382e 3835 2c2d 3130 3931 2e35 3820 3134  8.85,-1091.58 14\n-000025b0: 3438 2e39 372c 2d31 3039 352e 3431 2031  48.97,-1095.41 1\n-000025c0: 3435 392e 3039 2c2d 3130 3938 2e35 3720  459.09,-1098.57 \n-000025d0: 3134 3538 2e38 352c 2d31 3039 312e 3538  1458.85,-1091.58\n-000025e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-000025f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00002600: 5f6f 6e6c 696e 6568 656c 7020 2d2d 3e0a  _onlinehelp -->.\n-00002610: 3c67 2069 643d 226e 6f64 6534 3622 2063  <g id=\"node46\" c\n-00002620: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n-00002630: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00002640: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c  romacs_onlinehel\n-00002650: 703c 2f74 6974 6c65 3e0a 3c67 2069 643d  p</title>.<g id=\n-00002660: 2261 5f6e 6f64 6534 3622 3e3c 6120 786c  \"a_node46\"><a xl\n-00002670: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n-00002680: 5f6d 6f64 756c 655f 5f6f 6e6c 696e 6568  _module__onlineh\n-00002690: 656c 702e 7868 746d 6c22 2074 6172 6765  elp.xhtml\" targe\n-000026a0: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n-000026b0: 6974 6c65 3d22 6f6e 6c69 6e65 6865 6c70  itle=\"onlinehelp\n-000026c0: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n-000026d0: 3d22 2366 6665 3463 6322 2073 7472 6f6b  =\"#ffe4cc\" strok\n-000026e0: 653d 2262 6c61 636b 2220 6378 3d22 3134  e=\"black\" cx=\"14\n-000026f0: 3537 2e35 3622 2063 793d 222d 3239 2e34  57.56\" cy=\"-29.4\n-00002700: 3422 2072 783d 2234 322e 3335 2220 7279  4\" rx=\"42.35\" ry\n-00002710: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n-00002720: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n-00002730: 6464 6c65 2220 783d 2231 3435 372e 3536  ddle\" x=\"1457.56\n-00002740: 2220 793d 222d 3236 2e39 3422 2066 6f6e  \" y=\"-26.94\" fon\n-00002750: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00002760: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00002770: 302e 3030 223e 6f6e 6c69 6e65 6865 6c70  0.00\">onlinehelp\n-00002780: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n-00002790: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000027a0: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n-000027b0: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n-000027c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000027d0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c  romacs_onlinehel\n-000027e0: 7020 2d2d 3e0a 3c67 2069 643d 2265 6467  p -->.<g id=\"edg\n-000027f0: 6532 3833 2220 636c 6173 733d 2265 6467  e283\" class=\"edg\n-00002800: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00002810: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n-00002820: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n-00002830: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00002840: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70  omacs_onlinehelp\n-00002850: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00002860: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00002870: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n-00002880: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00002890: 3222 2064 3d22 4d31 3433 2e38 362c 2d31  2\" d=\"M143.86,-1\n-000028a0: 3435 2e33 3443 3135 352e 3032 2c2d 3134  45.34C155.02,-14\n-000028b0: 332e 3932 2031 3636 2e36 342c 2d31 3432  3.92 166.64,-142\n-000028c0: 2e36 3220 3137 372e 3536 2c2d 3134 312e  .62 177.56,-141.\n-000028d0: 3734 2032 3134 2e33 372c 2d31 3338 2e37  74 214.37,-138.7\n-000028e0: 3620 3134 3830 2e38 2c2d 3133 322e 3220  6 1480.8,-132.2 \n-000028f0: 3135 3036 2e35 362c 2d31 3035 2e37 3420  1506.56,-105.74 \n-00002900: 3135 3233 2e34 382c 2d38 382e 3335 2031  1523.48,-88.35 1\n-00002910: 3530 312e 3734 2c2d 3634 2e32 3920 3134  501.74,-64.29 14\n-00002920: 3832 2e30 382c 2d34 382e 3038 222f 3e0a  82.08,-48.08\"/>.\n-00002930: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00002940: 3263 6363 3238 2220 7374 726f 6b65 3d22  2ccc28\" stroke=\"\n-00002950: 2332 6363 6332 3822 2070 6f69 6e74 733d  #2ccc28\" points=\n-00002960: 2231 3438 342e 322c 2d34 352e 3320 3134  \"1484.2,-45.3 14\n-00002970: 3734 2e31 382c 2d34 312e 3837 2031 3437  74.18,-41.87 147\n-00002980: 392e 3838 2c2d 3530 2e38 2031 3438 342e  9.88,-50.8 1484.\n-00002990: 322c 2d34 352e 3322 2f3e 0a3c 2f67 3e0a  2,-45.3\"/>.</g>.\n-000029a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000029b0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-000029c0: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64  s -->.<g id=\"nod\n-000029d0: 6538 2220 636c 6173 733d 226e 6f64 6522  e8\" class=\"node\"\n-000029e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000029f0: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-00002a00: 7574 696c 733c 2f74 6974 6c65 3e0a 3c65  utils</title>.<e\n-00002a10: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n-00002a20: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n-00002a30: 6163 6b22 2063 783d 2232 3032 392e 3536  ack\" cx=\"2029.56\n-00002a40: 2220 6379 3d22 2d31 3039 382e 3233 2220  \" cy=\"-1098.23\" \n-00002a50: 7278 3d22 3339 2e37 2220 7279 3d22 3133  rx=\"39.7\" ry=\"13\n-00002a60: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00002a70: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00002a80: 2220 783d 2232 3032 392e 3536 2220 793d  \" x=\"2029.56\" y=\n-00002a90: 222d 3130 3935 2e37 3322 2066 6f6e 742d  \"-1095.73\" font-\n-00002aa0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-00002ab0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-00002ac0: 3030 223e 6770 755f 7574 696c 733c 2f74  00\">gpu_utils</t\n-00002ad0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n-00002ae0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00002af0: 735f 6861 7264 7761 7265 2623 3435 3b26  s_hardware&#45;&\n-00002b00: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00002b10: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n-00002b20: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00002b30: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00002b40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00002b50: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-00002b60: 7265 2623 3435 3b26 6774 3b6d 6f64 756c  re&#45;&gt;modul\n-00002b70: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-00002b80: 755f 7574 696c 733c 2f74 6974 6c65 3e0a  u_utils</title>.\n-00002b90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00002ba0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00002bb0: 6622 2064 3d22 4d32 3132 382e 3832 2c2d  f\" d=\"M2128.82,-\n-00002bc0: 3131 3530 2e34 3543 3231 3037 2e37 312c  1150.45C2107.71,\n-00002bd0: 2d31 3134 302e 3939 2032 3037 372e 3636  -1140.99 2077.66\n-00002be0: 2c2d 3131 3236 2e33 3920 3230 3536 2e30  ,-1126.39 2056.0\n-00002bf0: 382c 2d31 3131 352e 3222 2f3e 0a3c 706f  8,-1115.2\"/>.<po\n-00002c00: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00002c10: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00002c20: 6266 6266 2220 706f 696e 7473 3d22 3230  bfbf\" points=\"20\n-00002c30: 3537 2e35 392c 2d31 3131 322e 3034 2032  57.59,-1112.04 2\n-00002c40: 3034 372e 3131 2c2d 3131 3130 2e34 3820  047.11,-1110.48 \n-00002c50: 3230 3534 2e33 332c 2d31 3131 382e 3233  2054.33,-1118.23\n-00002c60: 2032 3035 372e 3539 2c2d 3131 3132 2e30   2057.59,-1112.0\n-00002c70: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n-00002c80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00002c90: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n-00002ca0: 6374 696f 6e73 202d 2d3e 0a3c 6720 6964  ctions -->.<g id\n-00002cb0: 3d22 6e6f 6465 3322 2063 6c61 7373 3d22  =\"node3\" class=\"\n-00002cc0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n-00002cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00002ce0: 5f63 6f72 7265 6c61 7469 6f6e 6675 6e63  _correlationfunc\n-00002cf0: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c67  tions</title>.<g\n-00002d00: 2069 643d 2261 5f6e 6f64 6533 223e 3c61   id=\"a_node3\"><a\n-00002d10: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n-00002d20: 7570 5f5f 6d6f 6475 6c65 5f5f 636f 7272  up__module__corr\n-00002d30: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n-00002d40: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-00002d50: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-00002d60: 653d 2263 6f72 7265 6c61 7469 6f6e 6675  e=\"correlationfu\n-00002d70: 6e63 7469 6f6e 7322 3e0a 3c65 6c6c 6970  nctions\">.<ellip\n-00002d80: 7365 2066 696c 6c3d 2223 6666 6363 6363  se fill=\"#ffcccc\n-00002d90: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00002da0: 2063 783d 2236 3030 2e35 3622 2063 793d   cx=\"600.56\" cy=\n-00002db0: 222d 3732 312e 3031 2220 7278 3d22 3731  \"-721.01\" rx=\"71\n-00002dc0: 2e33 3422 2072 793d 2231 332e 3337 222f  .34\" ry=\"13.37\"/\n-00002dd0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-00002de0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-00002df0: 3630 302e 3536 2220 793d 222d 3731 382e  600.56\" y=\"-718.\n-00002e00: 3531 2220 666f 6e74 2d66 616d 696c 793d  51\" font-family=\n-00002e10: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-00002e20: 7369 7a65 3d22 3130 2e30 3022 3e63 6f72  size=\"10.00\">cor\n-00002e30: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e  relationfunction\n-00002e40: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  s</text>.</a>.</\n-00002e50: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n-00002e60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00002e70: 636f 7272 656c 6174 696f 6e66 756e 6374  correlationfunct\n-00002e80: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64  ions&#45;&gt;mod\n-00002e90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00002ea0: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n-00002eb0: 3c67 2069 643d 2265 6467 6534 2220 636c  <g id=\"edge4\" cl\n-00002ec0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00002ed0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00002ee0: 6f6d 6163 735f 636f 7272 656c 6174 696f  omacs_correlatio\n-00002ef0: 6e66 756e 6374 696f 6e73 2623 3435 3b26  nfunctions&#45;&\n-00002f00: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00002f10: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-00002f20: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-00002f30: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00002f40: 6b65 3d22 2332 3832 6663 6322 2064 3d22  ke=\"#282fcc\" d=\"\n-00002f50: 4d35 3632 2e33 362c 2d37 3039 2e34 3343  M562.36,-709.43C\n-00002f60: 3534 322e 352c 2d37 3032 2035 3139 2e35  542.5,-702 519.5\n-00002f70: 332c 2d36 3930 2e30 3220 3530 352e 3536  3,-690.02 505.56\n-00002f80: 2c2d 3637 312e 3537 2034 3834 2e39 362c  ,-671.57 484.96,\n-00002f90: 2d36 3434 2e33 3620 3439 302e 3536 2c2d  -644.36 490.56,-\n-00002fa0: 3633 302e 3339 2034 3930 2e35 362c 2d35  630.39 490.56,-5\n-00002fb0: 3936 2e32 3720 3439 302e 3536 2c2d 3539  96.27 490.56,-59\n-00002fc0: 362e 3237 2034 3930 2e35 362c 2d35 3936  6.27 490.56,-596\n-00002fd0: 2e32 3720 3439 302e 3536 2c2d 3237 392e  .27 490.56,-279.\n-00002fe0: 3932 2034 3930 2e35 362c 2d32 3438 2e32  92 490.56,-248.2\n-00002ff0: 3420 3530 302e 3539 2c2d 3136 312e 3232  4 500.59,-161.22\n-00003000: 2035 3235 2e35 362c 2d31 3431 2e37 3420   525.56,-141.74 \n-00003010: 3538 312e 3333 2c2d 3938 2e32 3320 3130  581.33,-98.23 10\n-00003020: 3635 2e34 322c 2d39 332e 3439 2031 3234  65.42,-93.49 124\n-00003030: 302e 3037 2c2d 3933 2e32 3122 2f3e 0a3c  0.07,-93.21\"/>.<\n-00003040: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00003050: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00003060: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00003070: 3132 3430 2e31 332c 2d39 362e 3731 2031  1240.13,-96.71 1\n-00003080: 3235 302e 3133 2c2d 3933 2e32 2031 3234  250.13,-93.2 124\n-00003090: 302e 3132 2c2d 3839 2e37 3120 3132 3430  0.12,-89.71 1240\n-000030a0: 2e31 332c 2d39 362e 3731 222f 3e0a 3c2f  .13,-96.71\"/>.</\n-000030b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000030c0: 7263 5f67 726f 6d61 6373 5f63 6f72 7265  rc_gromacs_corre\n-000030d0: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326  lationfunctions&\n-000030e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000030f0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-00003100: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n-00003110: 6532 2220 636c 6173 733d 2265 6467 6522  e2\" class=\"edge\"\n-00003120: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00003130: 7372 635f 6772 6f6d 6163 735f 636f 7272  src_gromacs_corr\n-00003140: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n-00003150: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00003160: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-00003170: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n-00003180: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00003190: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-000031a0: 224d 3636 362e 3136 2c2d 3731 352e 3538  \"M666.16,-715.58\n-000031b0: 4338 3433 2e35 362c 2d37 3033 2e36 3120  C843.56,-703.61 \n-000031c0: 3133 3238 2e37 2c2d 3637 302e 3837 2031  1328.7,-670.87 1\n-000031d0: 3436 352e 3935 2c2d 3636 312e 3631 222f  465.95,-661.61\"/\n-000031e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-000031f0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00003200: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00003210: 733d 2231 3436 362e 3231 2c2d 3636 352e  s=\"1466.21,-665.\n-00003220: 3120 3134 3735 2e39 352c 2d36 3630 2e39  1 1475.95,-660.9\n-00003230: 3320 3134 3635 2e37 342c 2d36 3538 2e31  3 1465.74,-658.1\n-00003240: 3120 3134 3636 2e32 312c 2d36 3635 2e31  1 1466.21,-665.1\n-00003250: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00003260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00003270: 5f66 6674 202d 2d3e 0a3c 6720 6964 3d22  _fft -->.<g id=\"\n-00003280: 6e6f 6465 3138 2220 636c 6173 733d 226e  node18\" class=\"n\n-00003290: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-000032a0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000032b0: 6666 743c 2f74 6974 6c65 3e0a 3c65 6c6c  fft</title>.<ell\n-000032c0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-000032d0: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-000032e0: 6b22 2063 783d 2232 3834 2e35 3622 2063  k\" cx=\"284.56\" c\n-000032f0: 793d 222d 3231 382e 3035 2220 7278 3d22  y=\"-218.05\" rx=\"\n-00003300: 3237 2220 7279 3d22 3133 2e33 3722 2f3e  27\" ry=\"13.37\"/>\n-00003310: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00003320: 6f72 3d22 6d69 6464 6c65 2220 783d 2232  or=\"middle\" x=\"2\n-00003330: 3834 2e35 3622 2079 3d22 2d32 3135 2e35  84.56\" y=\"-215.5\n-00003340: 3522 2066 6f6e 742d 6661 6d69 6c79 3d22  5\" font-family=\"\n-00003350: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-00003360: 697a 653d 2231 302e 3030 223e 6666 743c  ize=\"10.00\">fft<\n-00003370: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n-00003380: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00003390: 6163 735f 636f 7272 656c 6174 696f 6e66  acs_correlationf\n-000033a0: 756e 6374 696f 6e73 2623 3435 3b26 6774  unctions&#45;&gt\n-000033b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000033c0: 6163 735f 6666 7420 2d2d 3e0a 3c67 2069  acs_fft -->.<g i\n-000033d0: 643d 2265 6467 6533 2220 636c 6173 733d  d=\"edge3\" class=\n-000033e0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000033f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00003400: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n-00003410: 6374 696f 6e73 2623 3435 3b26 6774 3b6d  ctions&#45;&gt;m\n-00003420: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00003430: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70  s_fft</title>.<p\n-00003440: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00003450: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00003460: 2064 3d22 4d35 3532 2e37 352c 2d37 3130   d=\"M552.75,-710\n-00003470: 2e39 3243 3532 392e 3137 2c2d 3730 342e  .92C529.17,-704.\n-00003480: 3031 2035 3032 2e32 372c 2d36 3932 2e30  01 502.27,-692.0\n-00003490: 3520 3438 352e 3536 2c2d 3637 312e 3537  5 485.56,-671.57\n-000034a0: 2034 3633 2e39 392c 2d36 3435 2e31 3320   463.99,-645.13 \n-000034b0: 3437 302e 3536 2c2d 3633 302e 3339 2034  470.56,-630.39 4\n-000034c0: 3730 2e35 362c 2d35 3936 2e32 3720 3437  70.56,-596.27 47\n-000034d0: 302e 3536 2c2d 3539 362e 3237 2034 3730  0.56,-596.27 470\n-000034e0: 2e35 362c 2d35 3936 2e32 3720 3437 302e  .56,-596.27 470.\n-000034f0: 3536 2c2d 3430 352e 3636 2034 3730 2e35  56,-405.66 470.5\n-00003500: 362c 2d33 3137 2e38 3120 3336 352e 3838  6,-317.81 365.88\n-00003510: 2c2d 3235 362e 3734 2033 3133 2e35 382c  ,-256.74 313.58,\n-00003520: 2d32 3331 2e37 3222 2f3e 0a3c 706f 6c79  -231.72\"/>.<poly\n-00003530: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-00003540: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-00003550: 6363 2220 706f 696e 7473 3d22 3331 352e  cc\" points=\"315.\n-00003560: 3031 2c2d 3232 382e 3532 2033 3034 2e34  01,-228.52 304.4\n-00003570: 372c 2d32 3237 2e34 3720 3331 322e 3035  7,-227.47 312.05\n-00003580: 2c2d 3233 342e 3836 2033 3135 2e30 312c  ,-234.86 315.01,\n-00003590: 2d32 3238 2e35 3222 2f3e 0a3c 2f67 3e0a  -228.52\"/>.</g>.\n-000035a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000035b0: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-000035c0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534  -->.<g id=\"node4\n-000035d0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-000035e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000035f0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00003600: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  s</title>.<ellip\n-00003610: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-00003620: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00003630: 2063 783d 2231 3735 322e 3536 2220 6379   cx=\"1752.56\" cy\n-00003640: 3d22 2d37 3833 2e38 3822 2072 783d 2233  =\"-783.88\" rx=\"3\n-00003650: 382e 3337 2220 7279 3d22 3133 2e33 3722  8.37\" ry=\"13.37\"\n-00003660: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-00003670: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-00003680: 2231 3735 322e 3536 2220 793d 222d 3738  \"1752.56\" y=\"-78\n-00003690: 312e 3338 2220 666f 6e74 2d66 616d 696c  1.38\" font-famil\n-000036a0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-000036b0: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d  t-size=\"10.00\">m\n-000036c0: 6474 7970 6573 3c2f 7465 7874 3e0a 3c2f  dtypes</text>.</\n-000036d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000036e0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-000036f0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00003700: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-00003710: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069  u_utils -->.<g i\n-00003720: 643d 2265 6467 6535 2220 636c 6173 733d  d=\"edge5\" class=\n-00003730: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00003740: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00003750: 735f 6d64 7479 7065 7326 2334 353b 2667  s_mdtypes&#45;&g\n-00003760: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00003770: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n-00003780: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00003790: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000037a0: 2223 3238 3266 6363 2220 643d 224d 3137  \"#282fcc\" d=\"M17\n-000037b0: 3536 2e32 342c 2d37 3937 2e35 4331 3735  56.24,-797.5C175\n-000037c0: 372e 3031 2c2d 3831 392e 3835 2031 3735  7.01,-819.85 175\n-000037d0: 312e 3536 2c2d 3836 372e 3838 2031 3735  1.56,-867.88 175\n-000037e0: 312e 3536 2c2d 3930 382e 3632 2031 3735  1.56,-908.62 175\n-000037f0: 312e 3536 2c2d 3937 332e 3439 2031 3735  1.56,-973.49 175\n-00003800: 312e 3536 2c2d 3937 332e 3439 2031 3735  1.56,-973.49 175\n-00003810: 312e 3536 2c2d 3937 332e 3439 2031 3735  1.56,-973.49 175\n-00003820: 312e 3536 2c2d 3130 3733 2e31 3920 3138  1.56,-1073.19 18\n-00003830: 3939 2e34 322c 2d31 3039 332e 3531 2031  99.42,-1093.51 1\n-00003840: 3937 392e 3535 2c2d 3130 3937 2e30 3522  979.55,-1097.05\"\n-00003850: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00003860: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00003870: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00003880: 7473 3d22 3139 3739 2e38 2c2d 3131 3030  ts=\"1979.8,-1100\n-00003890: 2e35 3620 3139 3839 2e39 322c 2d31 3039  .56 1989.92,-109\n-000038a0: 372e 3433 2031 3938 302e 3035 2c2d 3130  7.43 1980.05,-10\n-000038b0: 3933 2e35 3620 3139 3739 2e38 2c2d 3131  93.56 1979.8,-11\n-000038c0: 3030 2e35 3622 2f3e 0a3c 2f67 3e0a 3c21  00.56\"/>.</g>.<!\n-000038d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-000038e0: 6f6d 6163 735f 6d64 7479 7065 7326 2334  omacs_mdtypes&#4\n-000038f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00003900: 5f67 726f 6d61 6373 5f66 696c 6569 6f20  _gromacs_fileio \n-00003910: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00003920: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n-00003930: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00003940: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-00003950: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00003960: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-00003970: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n-00003980: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00003990: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-000039a0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000039b0: 3d22 352c 3222 2064 3d22 4d31 3735 332e  =\"5,2\" d=\"M1753.\n-000039c0: 3733 2c2d 3737 302e 3338 4331 3735 392e  73,-770.38C1759.\n-000039d0: 3333 2c2d 3735 342e 3033 2031 3737 302e  33,-754.03 1770.\n-000039e0: 3338 2c2d 3732 352e 3338 2031 3735 352e  38,-725.38 1755.\n-000039f0: 3536 2c2d 3730 372e 3537 2031 3732 382e  56,-707.57 1728.\n-00003a00: 3136 2c2d 3637 342e 3635 2031 3630 332e  16,-674.65 1603.\n-00003a10: 332c 2d36 3634 2e30 3120 3135 3339 2e37  3,-664.01 1539.7\n-00003a20: 332c 2d36 3630 2e36 3522 2f3e 0a3c 706f  3,-660.65\"/>.<po\n-00003a30: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n-00003a40: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n-00003a50: 6363 3238 2220 706f 696e 7473 3d22 3135  cc28\" points=\"15\n-00003a60: 3339 2e38 372c 2d36 3537 2e31 3520 3135  39.87,-657.15 15\n-00003a70: 3239 2e37 2c2d 3636 302e 3135 2031 3533  29.7,-660.15 153\n-00003a80: 392e 3532 2c2d 3636 342e 3134 2031 3533  9.52,-664.14 153\n-00003a90: 392e 3837 2c2d 3635 372e 3135 222f 3e0a  9.87,-657.15\"/>.\n-00003aa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00003ab0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-00003ac0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ib -->.<g id=\"no\n-00003ad0: 6465 3133 2220 636c 6173 733d 226e 6f64  de13\" class=\"nod\n-00003ae0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00003af0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00003b00: 6c69 623c 2f74 6974 6c65 3e0a 3c65 6c6c  lib</title>.<ell\n-00003b10: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-00003b20: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-00003b30: 6b22 2063 783d 2231 3733 392e 3536 2220  k\" cx=\"1739.56\" \n-00003b40: 6379 3d22 2d32 3138 2e30 3522 2072 783d  cy=\"-218.05\" rx=\n-00003b50: 2232 382e 3037 2220 7279 3d22 3133 2e33  \"28.07\" ry=\"13.3\n-00003b60: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-00003b70: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-00003b80: 783d 2231 3733 392e 3536 2220 793d 222d  x=\"1739.56\" y=\"-\n-00003b90: 3231 352e 3535 2220 666f 6e74 2d66 616d  215.55\" font-fam\n-00003ba0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00003bb0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00003bc0: 3e6d 646c 6962 3c2f 7465 7874 3e0a 3c2f  >mdlib</text>.</\n-00003bd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00003be0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-00003bf0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00003c00: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00003c10: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n-00003c20: 6467 6538 2220 636c 6173 733d 2265 6467  dge8\" class=\"edg\n-00003c30: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00003c40: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00003c50: 7479 7065 7326 2334 353b 2667 743b 6d6f  types&#45;&gt;mo\n-00003c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00003c70: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n-00003c80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00003c90: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00003ca0: 2220 643d 224d 3137 3135 2e38 322c 2d37  \" d=\"M1715.82,-7\n-00003cb0: 3739 2e38 3543 3136 3831 2e31 312c 2d37  79.85C1681.11,-7\n-00003cc0: 3735 2e31 3720 3136 3239 2e39 322c 2d37  75.17 1629.92,-7\n-00003cd0: 3633 2e34 3420 3135 3936 2e35 362c 2d37  63.44 1596.56,-7\n-00003ce0: 3334 2e34 3420 3135 3239 2e33 312c 2d36  34.44 1529.31,-6\n-00003cf0: 3735 2e39 3920 3134 3839 2e35 362c 2d35  75.99 1489.56,-5\n-00003d00: 3534 2e31 3920 3134 3839 2e35 362c 2d34  54.19 1489.56,-4\n-00003d10: 3037 2e36 3620 3134 3839 2e35 362c 2d34  07.66 1489.56,-4\n-00003d20: 3037 2e36 3620 3134 3839 2e35 362c 2d34  07.66 1489.56,-4\n-00003d30: 3037 2e36 3620 3134 3839 2e35 362c 2d33  07.66 1489.56,-3\n-00003d40: 3432 2e37 3920 3134 3839 2e35 362c 2d32  42.79 1489.56,-2\n-00003d50: 3530 2e36 3320 3136 3330 2e37 352c 2d32  50.63 1630.75,-2\n-00003d60: 3237 2e30 3520 3137 3031 2e30 332c 2d32  27.05 1701.03,-2\n-00003d70: 3231 2e30 3622 2f3e 0a3c 706f 6c79 676f  21.06\"/>.<polygo\n-00003d80: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-00003d90: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00003da0: 2220 706f 696e 7473 3d22 3137 3031 2e35  \" points=\"1701.5\n-00003db0: 362c 2d32 3234 2e35 3320 3137 3131 2e32  6,-224.53 1711.2\n-00003dc0: 362c 2d32 3230 2e32 3720 3137 3031 2e30  6,-220.27 1701.0\n-00003dd0: 322c 2d32 3137 2e35 3520 3137 3031 2e35  2,-217.55 1701.5\n-00003de0: 362c 2d32 3234 2e35 3322 2f3e 0a3c 2f67  6,-224.53\"/>.</g\n-00003df0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00003e00: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-00003e10: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-00003e20: 3135 2220 636c 6173 733d 226e 6f64 6522  15\" class=\"node\"\n-00003e30: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00003e40: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00003e50: 6563 3c2f 7469 746c 653e 0a3c 6720 6964  ec</title>.<g id\n-00003e60: 3d22 615f 6e6f 6465 3135 223e 3c61 2078  =\"a_node15\"><a x\n-00003e70: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n-00003e80: 5f5f 6d6f 6475 6c65 5f5f 646f 6d64 6563  __module__domdec\n-00003e90: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-00003ea0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-00003eb0: 653d 2264 6f6d 6465 6322 3e0a 3c65 6c6c  e=\"domdec\">.<ell\n-00003ec0: 6970 7365 2066 696c 6c3d 2223 6535 6363  ipse fill=\"#e5cc\n-00003ed0: 6666 2220 7374 726f 6b65 3d22 626c 6163  ff\" stroke=\"blac\n-00003ee0: 6b22 2063 783d 2232 3031 342e 3536 2220  k\" cx=\"2014.56\" \n-00003ef0: 6379 3d22 2d34 3639 2e35 3322 2072 783d  cy=\"-469.53\" rx=\n-00003f00: 2233 362e 3132 2220 7279 3d22 3133 2e33  \"36.12\" ry=\"13.3\n-00003f10: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-00003f20: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-00003f30: 783d 2232 3031 342e 3536 2220 793d 222d  x=\"2014.56\" y=\"-\n-00003f40: 3436 372e 3033 2220 666f 6e74 2d66 616d  467.03\" font-fam\n-00003f50: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00003f60: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00003f70: 3e64 6f6d 6465 633c 2f74 6578 743e 0a3c  >domdec</text>.<\n-00003f80: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n-00003f90: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00003fa0: 6f6d 6163 735f 6d64 7479 7065 7326 2334  omacs_mdtypes&#4\n-00003fb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00003fc0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n-00003fd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536  -->.<g id=\"edge6\n-00003fe0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00001e40: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+00001e50: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+00001e60: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00001e70: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+00001e80: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00001e90: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n+00001ea0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00001eb0: 352c 3222 2064 3d22 4d38 3435 2e36 392c  5,2\" d=\"M845.69,\n+00001ec0: 2d38 3937 2e32 3843 3836 302e 3236 2c2d  -897.28C860.26,-\n+00001ed0: 3838 382e 3136 2038 3832 2e38 372c 2d38  888.16 882.87,-8\n+00001ee0: 3734 2e35 3220 3930 312c 2d38 3630 2e31  74.52 901,-860.1\n+00001ef0: 3820 3931 342e 3238 2c2d 3834 392e 3638  8 914.28,-849.68\n+00001f00: 2039 3133 2e36 332c 2d38 3432 2e32 3620   913.63,-842.26 \n+00001f10: 3932 382c 2d38 3333 2e33 3120 3936 392e  928,-833.31 969.\n+00001f20: 3839 2c2d 3830 372e 3235 2039 3839 2e33  89,-807.25 989.3\n+00001f30: 392c 2d38 3230 2e33 3720 3130 3333 2c2d  9,-820.37 1033,-\n+00001f40: 3739 372e 3331 2031 3135 362e 3637 2c2d  797.31 1156.67,-\n+00001f50: 3733 312e 3932 2031 3138 362e 3131 2c2d  731.92 1186.11,-\n+00001f60: 3730 372e 3635 2031 3238 352c 2d36 3038  707.65 1285,-608\n+00001f70: 2e37 2031 3330 392e 3636 2c2d 3538 342e  .7 1309.66,-584.\n+00001f80: 3032 2031 3332 302e 3939 2c2d 3537 382e  02 1320.99,-578.\n+00001f90: 3934 2031 3333 322c 2d35 3435 2e38 3320  94 1332,-545.83 \n+00001fa0: 3133 3335 2e37 372c 2d35 3334 2e35 2031  1335.77,-534.5 1\n+00001fb0: 3333 342e 322c 2d35 3330 2e37 2031 3333  334.2,-530.7 133\n+00001fc0: 322c 2d35 3138 2e39 3620 3133 3238 2e38  2,-518.96 1328.8\n+00001fd0: 332c 2d35 3032 2e30 3920 3133 3233 2e37  3,-502.09 1323.7\n+00001fe0: 322c 2d34 3939 2e31 3520 3133 3138 2c2d  2,-499.15 1318,-\n+00001ff0: 3438 322e 3936 2031 3330 382e 3234 2c2d  482.96 1308.24,-\n+00002000: 3435 352e 3331 2031 3330 322e 352c 2d34  455.31 1302.5,-4\n+00002010: 3439 2e30 3720 3132 3938 2c2d 3432 302e  49.07 1298,-420.\n+00002020: 3039 2031 3239 362e 3137 2c2d 3430 382e  09 1296.17,-408.\n+00002030: 3239 2031 3239 332e 3138 2c2d 3430 342e  29 1293.18,-404.\n+00002040: 3135 2031 3239 382c 2d33 3933 2e32 3220  15 1298,-393.22 \n+00002050: 3133 3034 2e34 312c 2d33 3738 2e36 3720  1304.41,-378.67 \n+00002060: 3133 3137 2e36 2c2d 3336 362e 3539 2031  1317.6,-366.59 1\n+00002070: 3333 302e 3332 2c2d 3335 382e 3134 222f  330.32,-358.14\"/\n+00002080: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00002090: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+000020a0: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n+000020b0: 733d 2231 3333 322e 3234 2c2d 3336 312e  s=\"1332.24,-361.\n+000020c0: 3037 2031 3333 382e 3937 2c2d 3335 322e  07 1338.97,-352.\n+000020d0: 3838 2031 3332 382e 3631 2c2d 3335 352e  88 1328.61,-355.\n+000020e0: 3039 2031 3333 322e 3234 2c2d 3336 312e  09 1332.24,-361.\n+000020f0: 3037 222f 3e0a 3c2f 673e 0a3c 212d 2d20  07\"/>.</g>.<!-- \n+00002100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00002110: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n+00002120: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3236  ->.<g id=\"node26\n+00002130: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+00002140: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00002150: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n+00002160: 646c 696e 653c 2f74 6974 6c65 3e0a 3c67  dline</title>.<g\n+00002170: 2069 643d 2261 5f6e 6f64 6532 3622 3e3c   id=\"a_node26\"><\n+00002180: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n+00002190: 6f75 705f 5f6d 6f64 756c 655f 5f63 6f6d  oup__module__com\n+000021a0: 6d61 6e64 6c69 6e65 2e78 6874 6d6c 2220  mandline.xhtml\" \n+000021b0: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+000021c0: 696e 6b3a 7469 746c 653d 2263 6f6d 6d61  ink:title=\"comma\n+000021d0: 6e64 6c69 6e65 223e 0a3c 656c 6c69 7073  ndline\">.<ellips\n+000021e0: 6520 6669 6c6c 3d22 2366 6665 3463 6322  e fill=\"#ffe4cc\"\n+000021f0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00002200: 6378 3d22 3136 3732 2220 6379 3d22 2d38  cx=\"1672\" cy=\"-8\n+00002210: 3436 2e37 3522 2072 783d 2235 322e 3135  46.75\" rx=\"52.15\n+00002220: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+00002230: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+00002240: 3d22 6d69 6464 6c65 2220 783d 2231 3637  =\"middle\" x=\"167\n+00002250: 3222 2079 3d22 2d38 3434 2e32 3522 2066  2\" y=\"-844.25\" f\n+00002260: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+00002270: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+00002280: 2231 302e 3030 223e 636f 6d6d 616e 646c  \"10.00\">commandl\n+00002290: 696e 653c 2f74 6578 743e 0a3c 2f61 3e0a  ine</text>.</a>.\n+000022a0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n+000022b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000022c0: 735f 676d 786c 6962 2623 3435 3b26 6774  s_gmxlib&#45;&gt\n+000022d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000022e0: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n+000022f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537  -->.<g id=\"edge7\n+00002300: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00002310: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00002320: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00002330: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00002340: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00002350: 616e 646c 696e 653c 2f74 6974 6c65 3e0a  andline</title>.\n+00002360: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00002370: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00002380: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00002390: 793d 2235 2c32 2220 643d 224d 3836 332e  y=\"5,2\" d=\"M863.\n+000023a0: 3231 2c2d 3930 362e 3931 4339 3633 2e33  21,-906.91C963.3\n+000023b0: 2c2d 3930 312e 3334 2031 3238 352e 3136  ,-901.34 1285.16\n+000023c0: 2c2d 3838 322e 3739 2031 3535 312c 2d38  ,-882.79 1551,-8\n+000023d0: 3630 2e31 3820 3135 3732 2e30 362c 2d38  60.18 1572.06,-8\n+000023e0: 3538 2e33 3920 3135 3935 2e31 352c 2d38  58.39 1595.15,-8\n+000023f0: 3536 2e31 2031 3631 352e 3436 2c2d 3835  56.1 1615.46,-85\n+00002400: 332e 3937 222f 3e0a 3c70 6f6c 7967 6f6e  3.97\"/>.<polygon\n+00002410: 2066 696c 6c3d 2262 6c61 636b 2220 7374   fill=\"black\" st\n+00002420: 726f 6b65 3d22 626c 6163 6b22 2070 6f69  roke=\"black\" poi\n+00002430: 6e74 733d 2231 3631 352e 3932 2c2d 3835  nts=\"1615.92,-85\n+00002440: 372e 3434 2031 3632 352e 3439 2c2d 3835  7.44 1625.49,-85\n+00002450: 322e 3931 2031 3631 352e 3138 2c2d 3835  2.91 1615.18,-85\n+00002460: 302e 3438 2031 3631 352e 3932 2c2d 3835  0.48 1615.92,-85\n+00002470: 372e 3434 222f 3e0a 3c2f 673e 0a3c 212d  7.44\"/>.</g>.<!-\n+00002480: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00002490: 6d61 6373 5f74 6162 6c65 7320 2d2d 3e0a  macs_tables -->.\n+000024a0: 3c67 2069 643d 226e 6f64 6532 3922 2063  <g id=\"node29\" c\n+000024b0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n+000024c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000024d0: 726f 6d61 6373 5f74 6162 6c65 733c 2f74  romacs_tables</t\n+000024e0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n+000024f0: 6f64 6532 3922 3e3c 6120 786c 696e 6b3a  ode29\"><a xlink:\n+00002500: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n+00002510: 756c 655f 5f74 6162 6c65 732e 7868 746d  ule__tables.xhtm\n+00002520: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n+00002530: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7461   xlink:title=\"ta\n+00002540: 626c 6573 223e 0a3c 656c 6c69 7073 6520  bles\">.<ellipse \n+00002550: 6669 6c6c 3d22 2366 6665 3463 6322 2073  fill=\"#ffe4cc\" s\n+00002560: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00002570: 3d22 3333 3722 2063 793d 222d 3932 2e33  =\"337\" cy=\"-92.3\n+00002580: 3122 2072 783d 2233 302e 3331 2220 7279  1\" rx=\"30.31\" ry\n+00002590: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+000025a0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+000025b0: 6464 6c65 2220 783d 2233 3337 2220 793d  ddle\" x=\"337\" y=\n+000025c0: 222d 3839 2e38 3122 2066 6f6e 742d 6661  \"-89.81\" font-fa\n+000025d0: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+000025e0: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+000025f0: 223e 7461 626c 6573 3c2f 7465 7874 3e0a  \">tables</text>.\n+00002600: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n+00002610: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00002620: 726f 6d61 6373 5f67 6d78 6c69 6226 2334  romacs_gmxlib&#4\n+00002630: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00002640: 5f67 726f 6d61 6373 5f74 6162 6c65 7320  _gromacs_tables \n+00002650: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00002660: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n+00002670: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00002680: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+00002690: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000026a0: 5f73 7263 5f67 726f 6d61 6373 5f74 6162  _src_gromacs_tab\n+000026b0: 6c65 733c 2f74 6974 6c65 3e0a 3c70 6174  les</title>.<pat\n+000026c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000026d0: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n+000026e0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000026f0: 2235 2c32 2220 643d 224d 3831 362e 3237  \"5,2\" d=\"M816.27\n+00002700: 2c2d 3839 372e 3738 4338 3034 2e38 352c  ,-897.78C804.85,\n+00002710: 2d38 3839 2e30 3220 3739 302e 3033 2c2d  -889.02 790.03,-\n+00002720: 3837 352e 3632 2037 3832 2c2d 3836 302e  875.62 782,-860.\n+00002730: 3138 2037 3530 2e35 382c 2d37 3939 2e37  18 750.58,-799.7\n+00002740: 3520 3734 392e 3139 2c2d 3735 372e 3034  5 749.19,-757.04\n+00002750: 2037 3936 2c2d 3730 372e 3537 2038 3439   796,-707.57 849\n+00002760: 2e38 362c 2d36 3530 2e36 3520 3133 3937  .86,-650.65 1397\n+00002770: 2e33 352c 2d34 3835 2e38 3320 3134 3430  .35,-485.83 1440\n+00002780: 2c2d 3432 302e 3039 2031 3434 362e 352c  ,-420.09 1446.5,\n+00002790: 2d34 3130 2e30 3720 3134 3437 2e30 392c  -410.07 1447.09,\n+000027a0: 2d34 3032 2e38 3320 3134 3430 2c2d 3339  -402.83 1440,-39\n+000027b0: 332e 3232 2031 3430 372e 3638 2c2d 3334  3.22 1407.68,-34\n+000027c0: 392e 3436 2031 3335 352e 3332 2c2d 3430  9.46 1355.32,-40\n+000027d0: 302e 3938 2031 3332 332c 2d33 3537 2e32  0.98 1323,-357.2\n+000027e0: 3220 3133 3135 2e39 312c 2d33 3437 2e36  2 1315.91,-347.6\n+000027f0: 3120 3133 3139 2e34 312c 2d33 3431 2e37  1 1319.41,-341.7\n+00002800: 3420 3133 3233 2c2d 3333 302e 3335 2031  4 1323,-330.35 1\n+00002810: 3335 322e 3334 2c2d 3233 372e 3134 2031  352.34,-237.14 1\n+00002820: 3530 332e 3536 2c2d 3231 322e 3334 2031  503.56,-212.34 1\n+00002830: 3433 362c 2d31 3431 2e37 3420 3133 3938  436,-141.74 1398\n+00002840: 2e37 322c 2d31 3032 2e37 3920 3537 312e  .72,-102.79 571.\n+00002850: 3838 2c2d 3934 2e38 3720 3337 372e 362c  88,-94.87 377.6,\n+00002860: 2d39 332e 3534 222f 3e0a 3c70 6f6c 7967  -93.54\"/>.<polyg\n+00002870: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00002880: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00002890: 3822 2070 6f69 6e74 733d 2233 3737 2e35  8\" points=\"377.5\n+000028a0: 352c 2d39 302e 3034 2033 3637 2e35 332c  5,-90.04 367.53,\n+000028b0: 2d39 332e 3437 2033 3737 2e35 312c 2d39  -93.47 377.51,-9\n+000028c0: 372e 3034 2033 3737 2e35 352c 2d39 302e  7.04 377.55,-90.\n+000028d0: 3034 222f 3e0a 3c2f 673e 0a3c 212d 2d20  04\"/>.</g>.<!-- \n+000028e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000028f0: 6373 5f67 6d78 6c69 6226 2334 353b 2667  cs_gmxlib&#45;&g\n+00002900: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00002910: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n+00002920: 6720 6964 3d22 6564 6765 3922 2063 6c61  g id=\"edge9\" cla\n+00002930: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00002940: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00002950: 6d61 6373 5f67 6d78 6c69 6226 2334 353b  macs_gmxlib&#45;\n+00002960: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00002970: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469  romacs_ewald</ti\n+00002980: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00002990: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+000029a0: 3263 6363 3238 2220 7374 726f 6b65 2d64  2ccc28\" stroke-d\n+000029b0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+000029c0: 3d22 4d38 3035 2e34 392c 2d39 3031 2e39  =\"M805.49,-901.9\n+000029d0: 3443 3734 342e 342c 2d38 3833 2e34 3620  4C744.4,-883.46 \n+000029e0: 3630 302c 2d38 3236 2036 3030 2c2d 3732  600,-826 600,-72\n+000029f0: 322e 3031 2036 3030 2c2d 3732 322e 3031  2.01 600,-722.01\n+00002a00: 2036 3030 2c2d 3732 322e 3031 2036 3030   600,-722.01 600\n+00002a10: 2c2d 3635 372e 3134 2036 3030 2c2d 3634  ,-657.14 600,-64\n+00002a20: 362e 3337 2036 3832 2e35 382c 2d34 3933  6.37 682.58,-493\n+00002a30: 2e34 3520 3638 352c 2d34 3832 2e39 3620  .45 685,-482.96 \n+00002a40: 3638 382e 3939 2c2d 3436 352e 3637 2036  688.99,-465.67 6\n+00002a50: 3837 2e33 362c 2d34 3435 2e35 3920 3638  87.36,-445.59 68\n+00002a60: 362e 3237 2c2d 3433 302e 3531 222f 3e0a  6.27,-430.51\"/>.\n+00002a70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00002a80: 3263 6363 3238 2220 7374 726f 6b65 3d22  2ccc28\" stroke=\"\n+00002a90: 2332 6363 6332 3822 2070 6f69 6e74 733d  #2ccc28\" points=\n+00002aa0: 2236 3839 2e37 342c 2d34 3239 2e38 3720  \"689.74,-429.87 \n+00002ab0: 3638 352e 3635 2c2d 3432 302e 3039 2036  685.65,-420.09 6\n+00002ac0: 3832 2e37 352c 2d34 3330 2e32 3820 3638  82.75,-430.28 68\n+00002ad0: 392e 3734 2c2d 3432 392e 3837 222f 3e0a  9.74,-429.87\"/>.\n+00002ae0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00002af0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+00002b00: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d  _utils&#45;&gt;m\n+00002b10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00002b20: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n+00002b30: 2069 643d 2265 6467 6531 3222 2063 6c61   id=\"edge12\" cla\n+00002b40: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00002b50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00002b60: 6d61 6373 5f67 7075 5f75 7469 6c73 2623  macs_gpu_utils&#\n+00002b70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00002b80: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00002b90: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00002ba0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00002bb0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00002bc0: 4d38 3837 2e37 352c 2d31 3034 372e 3832  M887.75,-1047.82\n+00002bd0: 4338 3730 2e34 392c 2d31 3035 372e 3833  C870.49,-1057.83\n+00002be0: 2038 3433 2e31 322c 2d31 3037 322e 3338   843.12,-1072.38\n+00002bf0: 2038 3231 2e34 392c 2d31 3038 332e 3122   821.49,-1083.1\"\n+00002c00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00002c10: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00002c20: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00002c30: 7473 3d22 3831 392e 3736 2c2d 3130 3830  ts=\"819.76,-1080\n+00002c40: 2e30 3520 3831 322e 3331 2c2d 3130 3837  .05 812.31,-1087\n+00002c50: 2e35 3820 3832 322e 3833 2c2d 3130 3836  .58 822.83,-1086\n+00002c60: 2e33 3420 3831 392e 3736 2c2d 3130 3830  .34 819.76,-1080\n+00002c70: 2e30 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .05\"/>.</g>.<!--\n+00002c80: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00002c90: 6163 735f 7574 696c 6974 7920 2d2d 3e0a  acs_utility -->.\n+00002ca0: 3c67 2069 643d 226e 6f64 6535 2220 636c  <g id=\"node5\" cl\n+00002cb0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+00002cc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00002cd0: 6f6d 6163 735f 7574 696c 6974 793c 2f74  omacs_utility</t\n+00002ce0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n+00002cf0: 6f64 6535 223e 3c61 2078 6c69 6e6b 3a68  ode5\"><a xlink:h\n+00002d00: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n+00002d10: 6c65 5f5f 7574 696c 6974 792e 7868 746d  le__utility.xhtm\n+00002d20: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n+00002d30: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7574   xlink:title=\"ut\n+00002d40: 696c 6974 7922 3e0a 3c65 6c6c 6970 7365  ility\">.<ellipse\n+00002d50: 2066 696c 6c3d 2223 6666 6534 6363 2220   fill=\"#ffe4cc\" \n+00002d60: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+00002d70: 783d 2231 3236 3022 2063 793d 222d 3130  x=\"1260\" cy=\"-10\n+00002d80: 3938 2e32 3322 2072 783d 2232 382e 3037  98.23\" rx=\"28.07\n+00002d90: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+00002da0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+00002db0: 3d22 6d69 6464 6c65 2220 783d 2231 3236  =\"middle\" x=\"126\n+00002dc0: 3022 2079 3d22 2d31 3039 352e 3733 2220  0\" y=\"-1095.73\" \n+00002dd0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+00002de0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+00002df0: 3d22 3130 2e30 3022 3e75 7469 6c69 7479  =\"10.00\">utility\n+00002e00: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n+00002e10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00002e20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00002e30: 7075 5f75 7469 6c73 2623 3435 3b26 6774  pu_utils&#45;&gt\n+00002e40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00002e50: 6163 735f 7574 696c 6974 7920 2d2d 3e0a  acs_utility -->.\n+00002e60: 3c67 2069 643d 2265 6467 6531 3622 2063  <g id=\"edge16\" c\n+00002e70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00002e80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00002e90: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n+00002ea0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00002eb0: 7372 635f 6772 6f6d 6163 735f 7574 696c  src_gromacs_util\n+00002ec0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n+00002ed0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00002ee0: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n+00002ef0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00002f00: 2235 2c32 2220 643d 224d 3933 392c 2d31  \"5,2\" d=\"M939,-1\n+00002f10: 3034 312e 3635 4331 3030 372e 312c 2d31  041.65C1007.1,-1\n+00002f20: 3035 322e 3720 3131 3536 2e32 332c 2d31  052.7 1156.23,-1\n+00002f30: 3037 382e 3137 2031 3232 342e 3632 2c2d  078.17 1224.62,-\n+00002f40: 3130 3930 2e34 3222 2f3e 0a3c 706f 6c79  1090.42\"/>.<poly\n+00002f50: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n+00002f60: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n+00002f70: 3238 2220 706f 696e 7473 3d22 3132 3234  28\" points=\"1224\n+00002f80: 2e30 332c 2d31 3039 332e 3837 2031 3233  .03,-1093.87 123\n+00002f90: 342e 3439 2c2d 3130 3932 2e31 3920 3132  4.49,-1092.19 12\n+00002fa0: 3235 2e32 372c 2d31 3038 362e 3938 2031  25.27,-1086.98 1\n+00002fb0: 3232 342e 3033 2c2d 3130 3933 2e38 3722  224.03,-1093.87\"\n+00002fc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00002fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00002fe0: 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 643d  nbnxm -->.<g id=\n+00002ff0: 226e 6f64 6532 3822 2063 6c61 7373 3d22  \"node28\" class=\"\n+00003000: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00003010: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00003020: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c  _nbnxm</title>.<\n+00003030: 6720 6964 3d22 615f 6e6f 6465 3238 223e  g id=\"a_node28\">\n+00003040: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n+00003050: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 6e62  roup__module__nb\n+00003060: 6e78 6d2e 7868 746d 6c22 2074 6172 6765  nxm.xhtml\" targe\n+00003070: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n+00003080: 6974 6c65 3d22 6e62 6e78 6d22 3e0a 3c65  itle=\"nbnxm\">.<e\n+00003090: 6c6c 6970 7365 2066 696c 6c3d 2223 6535  llipse fill=\"#e5\n+000030a0: 6363 6666 2220 7374 726f 6b65 3d22 626c  ccff\" stroke=\"bl\n+000030b0: 6163 6b22 2063 783d 2235 3537 2220 6379  ack\" cx=\"557\" cy\n+000030c0: 3d22 2d39 3732 2e34 3922 2072 783d 2233  =\"-972.49\" rx=\"3\n+000030d0: 322e 3535 2220 7279 3d22 3133 2e33 3722  2.55\" ry=\"13.37\"\n+000030e0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n+000030f0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n+00003100: 2235 3537 2220 793d 222d 3936 392e 3939  \"557\" y=\"-969.99\n+00003110: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+00003120: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+00003130: 7a65 3d22 3130 2e30 3022 3e6e 626e 786d  ze=\"10.00\">nbnxm\n+00003140: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n+00003150: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00003160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00003170: 7075 5f75 7469 6c73 2623 3435 3b26 6774  pu_utils&#45;&gt\n+00003180: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00003190: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67  acs_nbnxm -->.<g\n+000031a0: 2069 643d 2265 6467 6531 3422 2063 6c61   id=\"edge14\" cla\n+000031b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000031c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000031d0: 6d61 6373 5f67 7075 5f75 7469 6c73 2623  macs_gpu_utils&#\n+000031e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000031f0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c  c_gromacs_nbnxm<\n+00003200: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00003210: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00003220: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00003230: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00003240: 2220 643d 224d 3836 362e 3834 2c2d 3130  \" d=\"M866.84,-10\n+00003250: 3330 2e32 3843 3830 382e 3333 2c2d 3130  30.28C808.33,-10\n+00003260: 3232 2e39 3920 3639 322e 3032 2c2d 3130  22.99 692.02,-10\n+00003270: 3036 2e35 3320 3539 352c 2d39 3835 2e39  06.53 595,-985.9\n+00003280: 3220 3539 332e 332c 2d39 3835 2e35 3620  2 593.3,-985.56 \n+00003290: 3539 312e 3536 2c2d 3938 352e 3137 2035  591.56,-985.17 5\n+000032a0: 3839 2e38 322c 2d39 3834 2e37 3722 2f3e  89.82,-984.77\"/>\n+000032b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+000032c0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+000032d0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+000032e0: 3d22 3539 302e 3431 2c2d 3938 312e 3332  =\"590.41,-981.32\n+000032f0: 2035 3739 2e38 372c 2d39 3832 2e33 3420   579.87,-982.34 \n+00003300: 3538 382e 3735 2c2d 3938 382e 3132 2035  588.75,-988.12 5\n+00003310: 3930 2e34 312c 2d39 3831 2e33 3222 2f3e  90.41,-981.32\"/>\n+00003320: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00003330: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+00003340: 7264 7761 7265 202d 2d3e 0a3c 6720 6964  rdware -->.<g id\n+00003350: 3d22 6e6f 6465 3333 2220 636c 6173 733d  =\"node33\" class=\n+00003360: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00003370: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00003380: 735f 6861 7264 7761 7265 3c2f 7469 746c  s_hardware</titl\n+00003390: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n+000033a0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+000033b0: 653d 2262 6c61 636b 2220 6378 3d22 3139  e=\"black\" cx=\"19\n+000033c0: 3730 2220 6379 3d22 2d39 322e 3331 2220  70\" cy=\"-92.31\" \n+000033d0: 7278 3d22 3339 2e37 2220 7279 3d22 3133  rx=\"39.7\" ry=\"13\n+000033e0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+000033f0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00003400: 2220 783d 2231 3937 3022 2079 3d22 2d38  \" x=\"1970\" y=\"-8\n+00003410: 392e 3831 2220 666f 6e74 2d66 616d 696c  9.81\" font-famil\n+00003420: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00003430: 742d 7369 7a65 3d22 3130 2e30 3022 3e68  t-size=\"10.00\">h\n+00003440: 6172 6477 6172 653c 2f74 6578 743e 0a3c  ardware</text>.<\n+00003450: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00003460: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00003470: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n+00003480: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00003490: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n+000034a0: 2069 643d 2265 6467 6531 3322 2063 6c61   id=\"edge13\" cla\n+000034b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000034c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000034d0: 6d61 6373 5f67 7075 5f75 7469 6c73 2623  macs_gpu_utils&#\n+000034e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000034f0: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n+00003500: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n+00003510: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00003520: 6f6b 653d 2272 6564 2220 643d 224d 3934  oke=\"red\" d=\"M94\n+00003530: 332e 3533 2c2d 3130 3333 2e36 3243 3130  3.53,-1033.62C10\n+00003540: 3438 2e38 342c 2d31 3033 312e 3239 2031  48.84,-1031.29 1\n+00003550: 3334 332e 3936 2c2d 3130 3231 2e38 3920  343.96,-1021.89 \n+00003560: 3135 3837 2c2d 3938 352e 3932 2031 3833  1587,-985.92 183\n+00003570: 352e 3931 2c2d 3934 392e 3039 2031 3936  5.91,-949.09 196\n+00003580: 332e 3533 2c2d 3130 3430 2e35 3220 3231  3.53,-1040.52 21\n+00003590: 3339 2c2d 3836 302e 3138 2032 3136 322e  39,-860.18 2162.\n+000035a0: 382c 2d38 3335 2e37 3220 3231 3534 2c2d  8,-835.72 2154,-\n+000035b0: 3831 3920 3231 3534 2c2d 3738 342e 3838  819 2154,-784.88\n+000035c0: 2032 3135 342c 2d37 3834 2e38 3820 3231   2154,-784.88 21\n+000035d0: 3534 2c2d 3738 342e 3838 2032 3135 342c  54,-784.88 2154,\n+000035e0: 2d36 3537 2e31 3420 3231 3534 2c2d 3537  -657.14 2154,-57\n+000035f0: 332e 3732 2032 3137 342c 2d35 3533 2e39  3.72 2174,-553.9\n+00003600: 3420 3231 3734 2c2d 3437 302e 3533 2032  4 2174,-470.53 2\n+00003610: 3137 342c 2d34 3730 2e35 3320 3231 3734  174,-470.53 2174\n+00003620: 2c2d 3437 302e 3533 2032 3137 342c 2d34  ,-470.53 2174,-4\n+00003630: 3035 2e36 3620 3231 3734 2c2d 3237 322e  05.66 2174,-272.\n+00003640: 3838 2032 3133 322e 3237 2c2d 3233 312e  88 2132.27,-231.\n+00003650: 3033 2032 3033 342c 2d31 3431 2e37 3420  03 2034,-141.74 \n+00003660: 3230 3231 2e31 2c2d 3133 302e 3032 2032  2021.1,-130.02 2\n+00003670: 3030 352e 3133 2c2d 3131 392e 3039 2031  005.13,-119.09 1\n+00003680: 3939 322e 3232 2c2d 3131 302e 3539 222f  992.22,-110.59\"/\n+00003690: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+000036a0: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+000036b0: 6422 2070 6f69 6e74 733d 2231 3939 342e  d\" points=\"1994.\n+000036c0: 3134 2c2d 3130 372e 3636 2031 3938 332e  14,-107.66 1983.\n+000036d0: 3835 2c2d 3130 352e 3132 2031 3939 302e  85,-105.12 1990.\n+000036e0: 332c 2d31 3133 2e35 3220 3139 3934 2e31  3,-113.52 1994.1\n+000036f0: 342c 2d31 3037 2e36 3622 2f3e 0a3c 2f67  4,-107.66\"/>.</g\n+00003700: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003710: 635f 6772 6f6d 6163 735f 6d61 7468 202d  c_gromacs_math -\n+00003720: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3433  ->.<g id=\"node43\n+00003730: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+00003740: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00003750: 635f 6772 6f6d 6163 735f 6d61 7468 3c2f  c_gromacs_math</\n+00003760: 7469 746c 653e 0a3c 656c 6c69 7073 6520  title>.<ellipse \n+00003770: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00003780: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00003790: 3d22 3231 3839 2220 6379 3d22 2d39 322e  =\"2189\" cy=\"-92.\n+000037a0: 3331 2220 7278 3d22 3237 2220 7279 3d22  31\" rx=\"27\" ry=\"\n+000037b0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+000037c0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+000037d0: 6c65 2220 783d 2232 3138 3922 2079 3d22  le\" x=\"2189\" y=\"\n+000037e0: 2d38 392e 3831 2220 666f 6e74 2d66 616d  -89.81\" font-fam\n+000037f0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00003800: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00003810: 3e6d 6174 683c 2f74 6578 743e 0a3c 2f67  >math</text>.</g\n+00003820: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003830: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00003840: 696c 7326 2334 353b 2667 743b 6d6f 6475  ils&#45;&gt;modu\n+00003850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00003860: 6174 6820 2d2d 3e0a 3c67 2069 643d 2265  ath -->.<g id=\"e\n+00003870: 6467 6531 3522 2063 6c61 7373 3d22 6564  dge15\" class=\"ed\n+00003880: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00003890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+000038a0: 7075 5f75 7469 6c73 2623 3435 3b26 6774  pu_utils&#45;&gt\n+000038b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000038c0: 6163 735f 6d61 7468 3c2f 7469 746c 653e  acs_math</title>\n+000038d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000038e0: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n+000038f0: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n+00003900: 7272 6179 3d22 352c 3222 2064 3d22 4d38  rray=\"5,2\" d=\"M8\n+00003910: 3635 2e32 312c 2d31 3033 322e 3339 4337  65.21,-1032.39C7\n+00003920: 3731 2e33 352c 2d31 3032 372e 3235 2035  71.35,-1027.25 5\n+00003930: 3337 2e39 382c 2d31 3031 312e 3934 2035  37.98,-1011.94 5\n+00003940: 3135 2c2d 3938 352e 3932 2035 3037 2e30  15,-985.92 507.0\n+00003950: 392c 2d39 3736 2e39 3720 3530 382e 3838  9,-976.97 508.88\n+00003960: 2c2d 3936 392e 3331 2035 3135 2c2d 3935  ,-969.31 515,-95\n+00003970: 392e 3035 2036 3035 2e34 342c 2d38 3037  9.05 605.44,-807\n+00003980: 2e34 3720 3130 3530 2e34 352c 2d36 3438  .47 1050.45,-648\n+00003990: 2e32 3120 3132 3134 2c2d 3538 312e 3833  .21 1214,-581.83\n+000039a0: 2031 3236 382e 3336 2c2d 3535 392e 3737   1268.36,-559.77\n+000039b0: 2031 3238 362e 3539 2c2d 3536 372e 3737   1286.59,-567.77\n+000039c0: 2031 3334 312c 2d35 3435 2e38 3320 3136   1341,-545.83 16\n+000039d0: 3832 2e34 372c 2d34 3038 2e31 3720 3230  82.47,-408.17 20\n+000039e0: 3635 2e32 332c 2d31 3731 2e36 3720 3231  65.23,-171.67 21\n+000039f0: 3634 2e34 372c 2d31 3038 2e39 3522 2f3e  64.47,-108.95\"/>\n+00003a00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00003a10: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n+00003a20: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n+00003a30: 3d22 3231 3636 2e36 2c2d 3131 312e 3734  =\"2166.6,-111.74\n+00003a40: 2032 3137 332e 3138 2c2d 3130 332e 3433   2173.18,-103.43\n+00003a50: 2032 3136 322e 3836 2c2d 3130 352e 3833   2162.86,-105.83\n+00003a60: 2032 3136 362e 362c 2d31 3131 2e37 3422   2166.6,-111.74\"\n+00003a70: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00003a80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00003a90: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n+00003aa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00003ab0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n+00003ac0: 0a3c 6720 6964 3d22 6564 6765 3137 2220  .<g id=\"edge17\" \n+00003ad0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00003ae0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00003af0: 6772 6f6d 6163 735f 7574 696c 6974 7926  gromacs_utility&\n+00003b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00003b10: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+00003b20: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n+00003b30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00003b40: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00003b50: 643d 224d 3132 3333 2e33 372c 2d31 3039  d=\"M1233.37,-109\n+00003b60: 332e 3238 4331 3137 322e 3137 2c2d 3130  3.28C1172.17,-10\n+00003b70: 3833 2e34 3720 3130 3231 2e36 372c 2d31  83.47 1021.67,-1\n+00003b80: 3035 372e 3820 3934 372e 3132 2c2d 3130  057.8 947.12,-10\n+00003b90: 3434 2e35 3522 2f3e 0a3c 706f 6c79 676f  44.55\"/>.<polygo\n+00003ba0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00003bb0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00003bc0: 2220 706f 696e 7473 3d22 3934 372e 3538  \" points=\"947.58\n+00003bd0: 2c2d 3130 3431 2e30 3720 3933 372e 3132  ,-1041.07 937.12\n+00003be0: 2c2d 3130 3432 2e37 3620 3934 362e 3335  ,-1042.76 946.35\n+00003bf0: 2c2d 3130 3437 2e39 3720 3934 372e 3538  ,-1047.97 947.58\n+00003c00: 2c2d 3130 3431 2e30 3722 2f3e 0a3c 2f67  ,-1041.07\"/>.</g\n+00003c10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003c20: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n+00003c30: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00003c40: 3231 2220 636c 6173 733d 226e 6f64 6522  21\" class=\"node\"\n+00003c50: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00003c60: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+00003c70: 6174 3c2f 7469 746c 653e 0a3c 656c 6c69  at</title>.<elli\n+00003c80: 7073 6520 6669 6c6c 3d22 2362 6662 6662  pse fill=\"#bfbfb\n+00003c90: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+00003ca0: 2220 6378 3d22 3137 3230 2220 6379 3d22  \" cx=\"1720\" cy=\"\n+00003cb0: 2d32 3830 2e39 3222 2072 783d 2233 342e  -280.92\" rx=\"34.\n+00003cc0: 3822 2072 793d 2231 332e 3337 222f 3e0a  8\" ry=\"13.37\"/>.\n+00003cd0: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n+00003ce0: 723d 226d 6964 646c 6522 2078 3d22 3137  r=\"middle\" x=\"17\n+00003cf0: 3230 2220 793d 222d 3237 382e 3432 2220  20\" y=\"-278.42\" \n+00003d00: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+00003d10: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+00003d20: 3d22 3130 2e30 3022 3e63 6f6d 7061 743c  =\"10.00\">compat<\n+00003d30: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n+00003d40: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00003d50: 6163 735f 7574 696c 6974 7926 2334 353b  acs_utility&#45;\n+00003d60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00003d70: 726f 6d61 6373 5f63 6f6d 7061 7420 2d2d  romacs_compat --\n+00003d80: 3e0a 3c67 2069 643d 2265 6467 6531 3822  >.<g id=\"edge18\"\n+00003d90: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00003da0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00003db0: 5f67 726f 6d61 6373 5f75 7469 6c69 7479  _gromacs_utility\n+00003dc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00003dd0: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+00003de0: 6174 3c2f 7469 746c 653e 0a3c 7061 7468  at</title>.<path\n+00003df0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00003e00: 6f6b 653d 2223 3238 3266 6363 2220 643d  oke=\"#282fcc\" d=\n+00003e10: 224d 3132 3838 2e33 362c 2d31 3039 362e  \"M1288.36,-1096.\n+00003e20: 3736 4331 3338 362e 3132 2c2d 3130 3934  76C1386.12,-1094\n+00003e30: 2e38 3220 3137 3038 2e33 362c 2d31 3038  .82 1708.36,-108\n+00003e40: 352e 3732 2031 3830 342c 2d31 3034 382e  5.72 1804,-1048.\n+00003e50: 3739 2031 3834 372e 3137 2c2d 3130 3332  79 1847.17,-1032\n+00003e60: 2e31 3220 3138 3537 2e36 352c 2d31 3032  .12 1857.65,-102\n+00003e70: 312e 3720 3138 3837 2c2d 3938 352e 3932  1.7 1887,-985.92\n+00003e80: 2031 3932 362e 342c 2d39 3337 2e39 2031   1926.4,-937.9 1\n+00003e90: 3933 342e 3039 2c2d 3932 302e 3732 2031  934.09,-920.72 1\n+00003ea0: 3934 382c 2d38 3630 2e31 3820 3139 3638  948,-860.18 1968\n+00003eb0: 2e37 332c 2d37 3639 2e39 3720 3138 3835  .73,-769.97 1885\n+00003ec0: 2e36 2c2d 3534 302e 3232 2031 3834 372c  .6,-540.22 1847,\n+00003ed0: 2d34 3536 2e30 3920 3138 3139 2e38 362c  -456.09 1819.86,\n+00003ee0: 2d33 3936 2e39 3520 3138 3133 2e38 392c  -396.95 1813.89,\n+00003ef0: 2d33 3830 2e31 3520 3137 3732 2c2d 3333  -380.15 1772,-33\n+00003f00: 302e 3335 2031 3736 322e 3934 2c2d 3331  0.35 1762.94,-31\n+00003f10: 392e 3538 2031 3735 312e 3633 2c2d 3330  9.58 1751.63,-30\n+00003f20: 382e 3739 2031 3734 312e 3838 2c2d 3330  8.79 1741.88,-30\n+00003f30: 302e 3134 222f 3e0a 3c70 6f6c 7967 6f6e  0.14\"/>.<polygon\n+00003f40: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00003f50: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00003f60: 2070 6f69 6e74 733d 2231 3734 332e 3938   points=\"1743.98\n+00003f70: 2c2d 3239 372e 3333 2031 3733 342e 3133  ,-297.33 1734.13\n+00003f80: 2c2d 3239 332e 3432 2031 3733 392e 3339  ,-293.42 1739.39\n+00003f90: 2c2d 3330 322e 3632 2031 3734 332e 3938  ,-302.62 1743.98\n+00003fa0: 2c2d 3239 372e 3333 222f 3e0a 3c2f 673e  ,-297.33\"/>.</g>\n+00003fb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00003fc0: 5f67 726f 6d61 6373 5f74 696d 696e 6720  _gromacs_timing \n+00003fd0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6536  -->.<g id=\"node6\n+00003fe0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n 00003ff0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00004000: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00004010: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00004020: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-00004030: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174  dec</title>.<pat\n-00004040: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00004050: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n-00004060: 3739 302e 3737 2c2d 3738 322e 3132 4331  790.77,-782.12C1\n-00004070: 3833 302e 3136 2c2d 3737 392e 3132 2031  830.16,-779.12 1\n-00004080: 3839 302e 3934 2c2d 3736 382e 3620 3139  890.94,-768.6 19\n-00004090: 3330 2e35 362c 2d37 3334 2e34 3420 3139  30.56,-734.44 19\n-000040a0: 3939 2e35 322c 2d36 3734 2e39 3820 3139  99.52,-674.98 19\n-000040b0: 3932 2e34 322c 2d36 3335 2e30 3620 3230  92.42,-635.06 20\n-000040c0: 3130 2e35 362c 2d35 3435 2e38 3320 3230  10.56,-545.83 20\n-000040d0: 3134 2e31 2c2d 3532 382e 3434 2032 3031  14.1,-528.44 201\n-000040e0: 322e 3439 2c2d 3530 382e 3336 2032 3031  2.49,-508.36 201\n-000040f0: 312e 3533 2c2d 3439 332e 3332 222f 3e0a  1.53,-493.32\"/>.\n-00004100: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n-00004110: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n-00004120: 2070 6f69 6e74 733d 2232 3031 352c 2d34   points=\"2015,-4\n-00004130: 3932 2e37 3420 3230 3131 2e30 312c 2d34  92.74 2011.01,-4\n-00004140: 3832 2e39 3220 3230 3038 2e30 312c 2d34  82.92 2008.01,-4\n-00004150: 3933 2e30 3820 3230 3135 2c2d 3439 322e  93.08 2015,-492.\n-00004160: 3734 222f 3e0a 3c2f 673e 0a3c 212d 2d20  74\"/>.</g>.<!-- \n-00004170: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00004180: 6373 5f6d 6474 7970 6573 2623 3435 3b26  cs_mdtypes&#45;&\n-00004190: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000041a0: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n-000041b0: 3c67 2069 643d 2265 6467 6537 2220 636c  <g id=\"edge7\" cl\n-000041c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000041d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000041e0: 6f6d 6163 735f 6d64 7479 7065 7326 2334  omacs_mdtypes&#4\n-000041f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00004200: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f  _gromacs_ewald</\n-00004210: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00004220: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00004230: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00004240: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00004250: 2064 3d22 4d31 3731 342e 3831 2c2d 3738   d=\"M1714.81,-78\n-00004260: 312e 3834 4331 3535 392e 3639 2c2d 3737  1.84C1559.69,-77\n-00004270: 372e 3234 2039 3739 2e31 342c 2d37 3537  7.24 979.14,-757\n-00004280: 2e39 3120 3934 382e 3536 2c2d 3733 342e  .91 948.56,-734.\n-00004290: 3434 2039 3135 2e32 2c2d 3730 382e 3834  44 915.2,-708.84\n-000042a0: 2039 3333 2e31 312c 2d36 3834 2e31 3620   933.11,-684.16 \n-000042b0: 3931 382e 3536 2c2d 3634 342e 3720 3930  918.56,-644.7 90\n-000042c0: 302e 3039 2c2d 3539 342e 3634 2038 3733  0.09,-594.64 873\n-000042d0: 2e35 362c 2d35 3836 2e37 3520 3837 332e  .56,-586.75 873.\n-000042e0: 3536 2c2d 3533 332e 3420 3837 332e 3536  56,-533.4 873.56\n-000042f0: 2c2d 3533 332e 3420 3837 332e 3536 2c2d  ,-533.4 873.56,-\n-00004300: 3533 332e 3420 3837 332e 3536 2c2d 3430  533.4 873.56,-40\n-00004310: 352e 3636 2038 3733 2e35 362c 2d33 3639  5.66 873.56,-369\n-00004320: 2e37 3920 3836 332e 3732 2c2d 3332 392e  .79 863.72,-329.\n-00004330: 3133 2038 3539 2e30 312c 2d33 3034 2e35  13 859.01,-304.5\n-00004340: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-00004350: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00004360: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00004370: 696e 7473 3d22 3836 322e 3431 2c2d 3330  ints=\"862.41,-30\n-00004380: 332e 3636 2038 3537 2e32 352c 2d32 3934  3.66 857.25,-294\n-00004390: 2e34 3120 3835 352e 3531 2c2d 3330 342e  .41 855.51,-304.\n-000043a0: 3836 2038 3632 2e34 312c 2d33 3033 2e36  86 862.41,-303.6\n-000043b0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n-000043c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000043d0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-000043e0: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n-000043f0: 6e6f 6465 3439 2220 636c 6173 733d 226e  node49\" class=\"n\n-00004400: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-00004410: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00004420: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n-00004430: 7768 3c2f 7469 746c 653e 0a3c 6720 6964  wh</title>.<g id\n-00004440: 3d22 615f 6e6f 6465 3439 223e 3c61 2078  =\"a_node49\"><a x\n-00004450: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n-00004460: 5f5f 6d6f 6475 6c65 5f5f 6177 682e 7868  __module__awh.xh\n-00004470: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n-00004480: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n-00004490: 6177 6822 3e0a 3c65 6c6c 6970 7365 2066  awh\">.<ellipse f\n-000044a0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000044b0: 653d 2262 6c61 636b 2220 6378 3d22 3835  e=\"black\" cx=\"85\n-000044c0: 362e 3536 2220 6379 3d22 2d37 3231 2e30  6.56\" cy=\"-721.0\n-000044d0: 3122 2072 783d 2232 3722 2072 793d 2231  1\" rx=\"27\" ry=\"1\n-000044e0: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-000044f0: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00004500: 6522 2078 3d22 3835 362e 3536 2220 793d  e\" x=\"856.56\" y=\n-00004510: 222d 3731 382e 3531 2220 666f 6e74 2d66  \"-718.51\" font-f\n-00004520: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-00004530: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-00004540: 3022 3e61 7768 3c2f 7465 7874 3e0a 3c2f  0\">awh</text>.</\n-00004550: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n-00004560: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00004570: 6d61 6373 5f6d 6474 7970 6573 2623 3435  macs_mdtypes&#45\n-00004580: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00004590: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-000045a0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c  forces_awh -->.<\n-000045b0: 6720 6964 3d22 6564 6765 3922 2063 6c61  g id=\"edge9\" cla\n-000045c0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000045d0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000045e0: 6d61 6373 5f6d 6474 7970 6573 2623 3435  macs_mdtypes&#45\n-000045f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00004600: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-00004610: 666f 7263 6573 5f61 7768 3c2f 7469 746c  forces_awh</titl\n-00004620: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00004630: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00004640: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00004650: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00004660: 4d31 3731 342e 3536 2c2d 3738 312e 3938  M1714.56,-781.98\n-00004670: 4331 3539 372e 3035 2c2d 3737 382e 3820  C1597.05,-778.8 \n-00004680: 3132 3330 2e31 392c 2d37 3636 2e34 3920  1230.19,-766.49 \n-00004690: 3932 382e 3536 2c2d 3733 342e 3434 2039  928.56,-734.44 9\n-000046a0: 3135 2e39 382c 2d37 3333 2e31 2039 3032  15.98,-733.1 902\n-000046b0: 2e33 362c 2d37 3331 2e31 3920 3839 302e  .36,-731.19 890.\n-000046c0: 3332 2c2d 3732 392e 3237 222f 3e0a 3c70  32,-729.27\"/>.<p\n-000046d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-000046e0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-000046f0: 3832 6663 6322 2070 6f69 6e74 733d 2238  82fcc\" points=\"8\n-00004700: 3930 2e36 362c 2d37 3235 2e37 3820 3838  90.66,-725.78 88\n-00004710: 302e 3232 2c2d 3732 372e 3539 2038 3839  0.22,-727.59 889\n-00004720: 2e35 312c 2d37 3332 2e36 3920 3839 302e  .51,-732.69 890.\n-00004730: 3636 2c2d 3732 352e 3738 222f 3e0a 3c2f  66,-725.78\"/>.</\n-00004740: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00004750: 7263 5f67 726f 6d61 6373 5f6c 696e 6561  rc_gromacs_linea\n-00004760: 7261 6c67 6562 7261 202d 2d3e 0a3c 6720  ralgebra -->.<g \n-00004770: 6964 3d22 6e6f 6465 3522 2063 6c61 7373  id=\"node5\" class\n-00004780: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00004790: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000047a0: 6373 5f6c 696e 6561 7261 6c67 6562 7261  cs_linearalgebra\n-000047b0: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-000047c0: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-000047d0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-000047e0: 6378 3d22 3234 3732 2e35 3622 2063 793d  cx=\"2472.56\" cy=\n-000047f0: 222d 3131 3631 2e31 2220 7278 3d22 3530  \"-1161.1\" rx=\"50\n-00004800: 2e34 3122 2072 793d 2231 332e 3337 222f  .41\" ry=\"13.37\"/\n-00004810: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-00004820: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-00004830: 3234 3732 2e35 3622 2079 3d22 2d31 3135  2472.56\" y=\"-115\n-00004840: 382e 3622 2066 6f6e 742d 6661 6d69 6c79  8.6\" font-family\n-00004850: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-00004860: 2d73 697a 653d 2231 302e 3030 223e 6c69  -size=\"10.00\">li\n-00004870: 6e65 6172 616c 6765 6272 613c 2f74 6578  nearalgebra</tex\n-00004880: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n-00004890: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000048a0: 636f 6d6d 616e 646c 696e 6526 2334 353b  commandline&#45;\n-000048b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000048c0: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-000048d0: 3e0a 3c67 2069 643d 2265 6467 6531 3122  >.<g id=\"edge11\"\n-000048e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000048f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00004900: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n-00004910: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64  line&#45;&gt;mod\n-00004920: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00004930: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c  fileio</title>.<\n-00004940: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00004950: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00004960: 2220 643d 224d 3132 3939 2e31 372c 2d31  \" d=\"M1299.17,-1\n-00004970: 3036 2e30 3243 3132 3834 2e38 352c 2d31  06.02C1284.85,-1\n-00004980: 3632 2e34 3920 3132 3334 2e31 332c 2d33  62.49 1234.13,-3\n-00004990: 3934 2e35 2031 3332 332e 3536 2c2d 3534  94.5 1323.56,-54\n-000049a0: 352e 3833 2031 3335 362e 3234 2c2d 3630  5.83 1356.24,-60\n-000049b0: 312e 3133 2031 3432 382e 3236 2c2d 3633  1.13 1428.26,-63\n-000049c0: 322e 3932 2031 3437 302e 332c 2d36 3437  2.92 1470.3,-647\n-000049d0: 2e34 3522 2f3e 0a3c 706f 6c79 676f 6e20  .45\"/>.<polygon \n-000049e0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-000049f0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00004a00: 706f 696e 7473 3d22 3134 3639 2e34 362c  points=\"1469.46,\n-00004a10: 2d36 3530 2e38 3620 3134 3830 2e30 362c  -650.86 1480.06,\n-00004a20: 2d36 3530 2e36 3920 3134 3731 2e36 372c  -650.69 1471.67,\n-00004a30: 2d36 3434 2e32 3120 3134 3639 2e34 362c  -644.21 1469.46,\n-00004a40: 2d36 3530 2e38 3622 2f3e 0a3c 2f67 3e0a  -650.86\"/>.</g>.\n-00004a50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00004a60: 6772 6f6d 6163 735f 6f70 7469 6f6e 7320  gromacs_options \n-00004a70: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6532  -->.<g id=\"node2\n-00004a80: 3222 2063 6c61 7373 3d22 6e6f 6465 223e  2\" class=\"node\">\n-00004a90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00004aa0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n-00004ab0: 6e73 3c2f 7469 746c 653e 0a3c 6720 6964  ns</title>.<g id\n-00004ac0: 3d22 615f 6e6f 6465 3232 223e 3c61 2078  =\"a_node22\"><a x\n-00004ad0: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n-00004ae0: 5f5f 6d6f 6475 6c65 5f5f 6f70 7469 6f6e  __module__option\n-00004af0: 732e 7868 746d 6c22 2074 6172 6765 743d  s.xhtml\" target=\n-00004b00: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n-00004b10: 6c65 3d22 6f70 7469 6f6e 7322 3e0a 3c65  le=\"options\">.<e\n-00004b20: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n-00004b30: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n-00004b40: 6163 6b22 2063 783d 2231 3330 322e 3536  ack\" cx=\"1302.56\n-00004b50: 2220 6379 3d22 2d32 392e 3434 2220 7278  \" cy=\"-29.44\" rx\n-00004b60: 3d22 3333 2e38 3822 2072 793d 2231 332e  =\"33.88\" ry=\"13.\n-00004b70: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n-00004b80: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n-00004b90: 2078 3d22 3133 3032 2e35 3622 2079 3d22   x=\"1302.56\" y=\"\n-00004ba0: 2d32 362e 3934 2220 666f 6e74 2d66 616d  -26.94\" font-fam\n-00004bb0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00004bc0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00004bd0: 3e6f 7074 696f 6e73 3c2f 7465 7874 3e0a  >options</text>.\n-00004be0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n-00004bf0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00004c00: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-00004c10: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c  ne&#45;&gt;modul\n-00004c20: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n-00004c30: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d  tions -->.<g id=\n-00004c40: 2265 6467 6531 3222 2063 6c61 7373 3d22  \"edge12\" class=\"\n-00004c50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00004c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00004c70: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435  _commandline&#45\n-00004c80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00004c90: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c  gromacs_options<\n-00004ca0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00004cb0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00004cc0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00004cd0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00004ce0: 2220 643d 224d 3133 3032 2e35 362c 2d37  \" d=\"M1302.56,-7\n-00004cf0: 382e 3639 4331 3330 322e 3536 2c2d 3731  8.69C1302.56,-71\n-00004d00: 2e33 3520 3133 3032 2e35 362c 2d36 312e  .35 1302.56,-61.\n-00004d10: 3836 2031 3330 322e 3536 2c2d 3533 2e32  86 1302.56,-53.2\n-00004d20: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-00004d30: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00004d40: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00004d50: 696e 7473 3d22 3133 3036 2e30 362c 2d35  ints=\"1306.06,-5\n-00004d60: 332e 3033 2031 3330 322e 3536 2c2d 3433  3.03 1302.56,-43\n-00004d70: 2e30 3320 3132 3939 2e30 362c 2d35 332e  .03 1299.06,-53.\n-00004d80: 3033 2031 3330 362e 3036 2c2d 3533 2e30  03 1306.06,-53.0\n-00004d90: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n-00004da0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00004db0: 735f 636f 6d6d 616e 646c 696e 6526 2334  s_commandline&#4\n-00004dc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00004dd0: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568  _gromacs_onlineh\n-00004de0: 656c 7020 2d2d 3e0a 3c67 2069 643d 2265  elp -->.<g id=\"e\n-00004df0: 6467 6531 3322 2063 6c61 7373 3d22 6564  dge13\" class=\"ed\n-00004e00: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00004e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-00004e20: 6f6d 6d61 6e64 6c69 6e65 2623 3435 3b26  ommandline&#45;&\n-00004e30: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00004e40: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70  omacs_onlinehelp\n-00004e50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00004e60: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00004e70: 653d 2223 3238 3266 6363 2220 643d 224d  e=\"#282fcc\" d=\"M\n-00004e80: 3133 3239 2e35 362c 2d38 302e 3743 3133  1329.56,-80.7C13\n-00004e90: 3535 2e34 372c 2d37 302e 3533 2031 3339  55.47,-70.53 139\n-00004ea0: 342e 3733 2c2d 3535 2e31 3120 3134 3232  4.73,-55.11 1422\n-00004eb0: 2e39 332c 2d34 342e 3033 222f 3e0a 3c70  .93,-44.03\"/>.<p\n-00004ec0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00004ed0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00004ee0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-00004ef0: 3432 342e 3338 2c2d 3437 2e32 3320 3134  424.38,-47.23 14\n-00004f00: 3332 2e34 312c 2d34 302e 3331 2031 3432  32.41,-40.31 142\n-00004f10: 312e 3832 2c2d 3430 2e37 3120 3134 3234  1.82,-40.71 1424\n-00004f20: 2e33 382c 2d34 372e 3233 222f 3e0a 3c2f  .38,-47.23\"/>.</\n-00004f30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00004f40: 7263 5f67 726f 6d61 6373 5f75 7469 6c69  rc_gromacs_utili\n-00004f50: 7479 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ty -->.<g id=\"no\n-00004f60: 6465 3722 2063 6c61 7373 3d22 6e6f 6465  de7\" class=\"node\n-00004f70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00004f80: 5f73 7263 5f67 726f 6d61 6373 5f75 7469  _src_gromacs_uti\n-00004f90: 6c69 7479 3c2f 7469 746c 653e 0a3c 6720  lity</title>.<g \n-00004fa0: 6964 3d22 615f 6e6f 6465 3722 3e3c 6120  id=\"a_node7\"><a \n-00004fb0: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n-00004fc0: 705f 5f6d 6f64 756c 655f 5f75 7469 6c69  p__module__utili\n-00004fd0: 7479 2e78 6874 6d6c 2220 7461 7267 6574  ty.xhtml\" target\n-00004fe0: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n-00004ff0: 746c 653d 2275 7469 6c69 7479 223e 0a3c  tle=\"utility\">.<\n-00005000: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n-00005010: 6665 3463 6322 2073 7472 6f6b 653d 2262  fe4cc\" stroke=\"b\n-00005020: 6c61 636b 2220 6378 3d22 3236 3733 2e35  lack\" cx=\"2673.5\n-00005030: 3622 2063 793d 222d 3131 3631 2e31 2220  6\" cy=\"-1161.1\" \n-00005040: 7278 3d22 3238 2e30 3722 2072 793d 2231  rx=\"28.07\" ry=\"1\n-00005050: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00005060: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00005070: 6522 2078 3d22 3236 3733 2e35 3622 2079  e\" x=\"2673.56\" y\n-00005080: 3d22 2d31 3135 382e 3622 2066 6f6e 742d  =\"-1158.6\" font-\n-00005090: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-000050a0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-000050b0: 3030 223e 7574 696c 6974 793c 2f74 6578  00\">utility</tex\n-000050c0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n-000050d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000050e0: 635f 6772 6f6d 6163 735f 7574 696c 6974  c_gromacs_utilit\n-000050f0: 7926 2334 353b 2667 743b 6d6f 6475 6c65  y&#45;&gt;module\n-00005100: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-00005110: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n-00005120: 3d22 6564 6765 3134 2220 636c 6173 733d  =\"edge14\" class=\n-00005130: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00005140: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00005150: 735f 7574 696c 6974 7926 2334 353b 2667  s_utility&#45;&g\n-00005160: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00005170: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n-00005180: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00005190: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000051a0: 2223 6266 6266 6266 2220 643d 224d 3236  \"#bfbfbf\" d=\"M26\n-000051b0: 3435 2e39 2c2d 3131 3537 2e37 3543 3235  45.9,-1157.75C25\n-000051c0: 3435 2e39 322c 2d31 3134 382e 3736 2032  45.92,-1148.76 2\n-000051d0: 3230 332e 352c 2d31 3131 362e 3433 2032  203.5,-1116.43 2\n-000051e0: 3037 362e 3936 2c2d 3131 3034 2e30 3722  076.96,-1104.07\"\n-000051f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00005200: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-00005210: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-00005220: 7473 3d22 3230 3737 2e31 312c 2d31 3130  ts=\"2077.11,-110\n-00005230: 302e 3537 2032 3036 362e 3831 2c2d 3131  0.57 2066.81,-11\n-00005240: 3033 2e30 3820 3230 3736 2e34 322c 2d31  03.08 2076.42,-1\n-00005250: 3130 372e 3534 2032 3037 372e 3131 2c2d  107.54 2077.11,-\n-00005260: 3131 3030 2e35 3722 2f3e 0a3c 2f67 3e0a  1100.57\"/>.</g>.\n-00005270: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00005280: 6772 6f6d 6163 735f 636f 6d70 6174 202d  gromacs_compat -\n-00005290: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3330  ->.<g id=\"node30\n-000052a0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-000052b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000052c0: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n-000052d0: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-000052e0: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-000052f0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00005300: 6378 3d22 3232 3634 2e35 3622 2063 793d  cx=\"2264.56\" cy=\n-00005310: 222d 3135 352e 3138 2220 7278 3d22 3334  \"-155.18\" rx=\"34\n-00005320: 2e38 2220 7279 3d22 3133 2e33 3722 2f3e  .8\" ry=\"13.37\"/>\n-00005330: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00005340: 6f72 3d22 6d69 6464 6c65 2220 783d 2232  or=\"middle\" x=\"2\n-00005350: 3236 342e 3536 2220 793d 222d 3135 322e  264.56\" y=\"-152.\n-00005360: 3638 2220 666f 6e74 2d66 616d 696c 793d  68\" font-family=\n-00005370: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-00005380: 7369 7a65 3d22 3130 2e30 3022 3e63 6f6d  size=\"10.00\">com\n-00005390: 7061 743c 2f74 6578 743e 0a3c 2f67 3e0a  pat</text>.</g>.\n-000053a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000053b0: 6772 6f6d 6163 735f 7574 696c 6974 7926  gromacs_utility&\n-000053c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000053d0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061  rc_gromacs_compa\n-000053e0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467  t -->.<g id=\"edg\n-000053f0: 6531 3522 2063 6c61 7373 3d22 6564 6765  e15\" class=\"edge\n-00005400: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00005410: 5f73 7263 5f67 726f 6d61 6373 5f75 7469  _src_gromacs_uti\n-00005420: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n-00005430: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00005440: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c  compat</title>.<\n-00005450: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00005460: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00005470: 2220 643d 224d 3236 3737 2e31 322c 2d31  \" d=\"M2677.12,-1\n-00005480: 3134 372e 3537 4332 3638 332e 3131 2c2d  147.57C2683.11,-\n-00005490: 3131 3235 2e33 3620 3236 3934 2e35 362c  1125.36 2694.56,\n-000054a0: 2d31 3037 372e 3534 2032 3639 342e 3536  -1077.54 2694.56\n-000054b0: 2c2d 3130 3336 2e33 3620 3236 3934 2e35  ,-1036.36 2694.5\n-000054c0: 362c 2d31 3033 362e 3336 2032 3639 342e  6,-1036.36 2694.\n-000054d0: 3536 2c2d 3130 3336 2e33 3620 3236 3934  56,-1036.36 2694\n-000054e0: 2e35 362c 2d39 3731 2e34 3920 3236 3934  .56,-971.49 2694\n-000054f0: 2e35 362c 2d37 3338 2e34 2032 3735 302e  .56,-738.4 2750.\n-00005500: 3037 2c2d 3633 322e 3335 2032 3539 372e  07,-632.35 2597.\n-00005510: 3536 2c2d 3435 362e 3039 2032 3439 332e  56,-456.09 2493.\n-00005520: 3933 2c2d 3333 362e 3333 2032 3334 342e  93,-336.33 2344.\n-00005530: 3537 2c2d 3231 372e 3431 2032 3238 372e  57,-217.41 2287.\n-00005540: 3732 2c2d 3137 332e 3722 2f3e 0a3c 706f  72,-173.7\"/>.<po\n-00005550: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00005560: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00005570: 3266 6363 2220 706f 696e 7473 3d22 3232  2fcc\" points=\"22\n-00005580: 3839 2e37 382c 2d31 3730 2e38 3720 3232  89.78,-170.87 22\n-00005590: 3739 2e37 312c 2d31 3637 2e35 3820 3232  79.71,-167.58 22\n-000055a0: 3835 2e35 332c 2d31 3736 2e34 3320 3232  85.53,-176.43 22\n-000055b0: 3839 2e37 382c 2d31 3730 2e38 3722 2f3e  89.78,-170.87\"/>\n-000055c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000055d0: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-000055e0: 755f 7574 696c 7326 2334 353b 2667 743b  u_utils&#45;&gt;\n-000055f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00005600: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a  cs_hardware -->.\n-00005610: 3c67 2069 643d 2265 6467 6531 3622 2063  <g id=\"edge16\" c\n-00005620: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00005630: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00005640: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-00005650: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00005660: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n-00005670: 7761 7265 3c2f 7469 746c 653e 0a3c 7061  ware</title>.<pa\n-00005680: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00005690: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-000056a0: 3230 3534 2e34 2c2d 3131 3038 2e39 3243  2054.4,-1108.92C\n-000056b0: 3230 3735 2e35 362c 2d31 3131 382e 3420  2075.56,-1118.4 \n-000056c0: 3231 3035 2e36 362c 2d31 3133 332e 3033  2105.66,-1133.03\n-000056d0: 2032 3132 372e 3232 2c2d 3131 3434 2e32   2127.22,-1144.2\n-000056e0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n-000056f0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-00005700: 2272 6564 2220 706f 696e 7473 3d22 3231  \"red\" points=\"21\n-00005710: 3235 2e37 2c2d 3131 3437 2e33 3720 3231  25.7,-1147.37 21\n-00005720: 3336 2e31 382c 2d31 3134 382e 3933 2032  36.18,-1148.93 2\n-00005730: 3132 382e 3936 2c2d 3131 3431 2e31 3820  128.96,-1141.18 \n-00005740: 3231 3235 2e37 2c2d 3131 3437 2e33 3722  2125.7,-1147.37\"\n-00005750: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00005760: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00005770: 6770 755f 7574 696c 7326 2334 353b 2667  gpu_utils&#45;&g\n-00005780: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00005790: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n-000057a0: 0a3c 6720 6964 3d22 6564 6765 3137 2220  .<g id=\"edge17\" \n-000057b0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-000057c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-000057d0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-000057e0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-000057f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-00005800: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n-00005810: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00005820: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00005830: 643d 224d 3139 3839 2e39 362c 2d31 3039  d=\"M1989.96,-109\n-00005840: 372e 3634 4331 3930 392e 3137 2c2d 3130  7.64C1909.17,-10\n-00005850: 3936 2e35 3220 3137 3333 2e35 362c 2d31  96.52 1733.56,-1\n-00005860: 3038 322e 3134 2031 3733 332e 3536 2c2d  082.14 1733.56,-\n-00005870: 3937 332e 3439 2031 3733 332e 3536 2c2d  973.49 1733.56,-\n-00005880: 3937 332e 3439 2031 3733 332e 3536 2c2d  973.49 1733.56,-\n-00005890: 3937 332e 3439 2031 3733 332e 3536 2c2d  973.49 1733.56,-\n-000058a0: 3930 382e 3632 2031 3733 332e 3536 2c2d  908.62 1733.56,-\n-000058b0: 3837 322e 3934 2031 3733 372e 3734 2c2d  872.94 1737.74,-\n-000058c0: 3833 312e 3638 2031 3734 332e 3133 2c2d  831.68 1743.13,-\n-000058d0: 3830 362e 3936 222f 3e0a 3c70 6f6c 7967  806.96\"/>.<polyg\n-000058e0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-000058f0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00005900: 6622 2070 6f69 6e74 733d 2231 3734 362e  f\" points=\"1746.\n-00005910: 3535 2c2d 3830 372e 3639 2031 3734 352e  55,-807.69 1745.\n-00005920: 3539 2c2d 3739 372e 3134 2031 3733 392e  59,-797.14 1739.\n-00005930: 3736 2c2d 3830 352e 3939 2031 3734 362e  76,-805.99 1746.\n-00005940: 3535 2c2d 3830 372e 3639 222f 3e0a 3c2f  55,-807.69\"/>.</\n-00005950: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00005960: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n-00005970: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64  tils&#45;&gt;mod\n-00005980: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00005990: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n-000059a0: 643d 2265 6467 6532 3022 2063 6c61 7373  d=\"edge20\" class\n-000059b0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-000059c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000059d0: 6373 5f67 7075 5f75 7469 6c73 2623 3435  cs_gpu_utils&#45\n-000059e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000059f0: 6772 6f6d 6163 735f 7574 696c 6974 793c  gromacs_utility<\n-00005a00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00005a10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00005a20: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n-00005a30: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00005a40: 2220 643d 224d 3230 3637 2e31 372c 2d31  \" d=\"M2067.17,-1\n-00005a50: 3130 322e 3437 4332 3138 312e 3432 2c2d  102.47C2181.42,-\n-00005a60: 3131 3132 2e38 3420 3235 3232 2e39 332c  1112.84 2522.93,\n-00005a70: 2d31 3134 352e 3131 2032 3633 362e 3438  -1145.11 2636.48\n-00005a80: 2c2d 3131 3536 2e32 3622 2f3e 0a3c 706f  ,-1156.26\"/>.<po\n-00005a90: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n-00005aa0: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n-00005ab0: 6363 3238 2220 706f 696e 7473 3d22 3236  cc28\" points=\"26\n-00005ac0: 3336 2e31 342c 2d31 3135 392e 3734 2032  36.14,-1159.74 2\n-00005ad0: 3634 362e 3433 2c2d 3131 3537 2e32 3420  646.43,-1157.24 \n-00005ae0: 3236 3336 2e38 322c 2d31 3135 322e 3738  2636.82,-1152.78\n-00005af0: 2032 3633 362e 3134 2c2d 3131 3539 2e37   2636.14,-1159.7\n-00005b00: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n-00005b10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00005b20: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069  s_nbnxm -->.<g i\n-00005b30: 643d 226e 6f64 6531 3122 2063 6c61 7373  d=\"node11\" class\n-00005b40: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00005b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00005b60: 6373 5f6e 626e 786d 3c2f 7469 746c 653e  cs_nbnxm</title>\n-00005b70: 0a3c 6720 6964 3d22 615f 6e6f 6465 3131  .<g id=\"a_node11\n-00005b80: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n-00005b90: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n-00005ba0: 6e62 6e78 6d2e 7868 746d 6c22 2074 6172  nbnxm.xhtml\" tar\n-00005bb0: 6765 743d 225f 746f 7022 2078 6c69 6e6b  get=\"_top\" xlink\n-00005bc0: 3a74 6974 6c65 3d22 6e62 6e78 6d22 3e0a  :title=\"nbnxm\">.\n-00005bd0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-00005be0: 6535 6363 6666 2220 7374 726f 6b65 3d22  e5ccff\" stroke=\"\n-00005bf0: 626c 6163 6b22 2063 783d 2232 3032 392e  black\" cx=\"2029.\n-00005c00: 3536 2220 6379 3d22 2d31 3033 352e 3336  56\" cy=\"-1035.36\n-00005c10: 2220 7278 3d22 3332 2e35 3522 2072 793d  \" rx=\"32.55\" ry=\n-00005c20: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-00005c30: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-00005c40: 646c 6522 2078 3d22 3230 3239 2e35 3622  dle\" x=\"2029.56\"\n-00005c50: 2079 3d22 2d31 3033 322e 3836 2220 666f   y=\"-1032.86\" fo\n-00005c60: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n-00005c70: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n-00005c80: 3130 2e30 3022 3e6e 626e 786d 3c2f 7465  10.00\">nbnxm</te\n-00005c90: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n-00005ca0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00005cb0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n-00005cc0: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64  tils&#45;&gt;mod\n-00005cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00005ce0: 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 643d  nbnxm -->.<g id=\n-00005cf0: 2265 6467 6531 3822 2063 6c61 7373 3d22  \"edge18\" class=\"\n-00005d00: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00005d10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00005d20: 5f67 7075 5f75 7469 6c73 2623 3435 3b26  _gpu_utils&#45;&\n-00005d30: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00005d40: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974  omacs_nbnxm</tit\n-00005d50: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00005d60: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-00005d70: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-00005d80: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-00005d90: 224d 3230 3234 2e30 312c 2d31 3038 342e  \"M2024.01,-1084.\n-00005da0: 3931 4332 3032 322e 3837 2c2d 3130 3737  91C2022.87,-1077\n-00005db0: 2e34 2032 3032 322e 3534 2c2d 3130 3637  .4 2022.54,-1067\n-00005dc0: 2e35 3820 3230 3233 2e30 322c 2d31 3035  .58 2023.02,-105\n-00005dd0: 382e 3734 222f 3e0a 3c70 6f6c 7967 6f6e  8.74\"/>.<polygon\n-00005de0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00005df0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00005e00: 2070 6f69 6e74 733d 2232 3032 362e 3532   points=\"2026.52\n-00005e10: 2c2d 3130 3538 2e39 3520 3230 3234 2e30  ,-1058.95 2024.0\n-00005e20: 312c 2d31 3034 382e 3636 2032 3031 392e  1,-1048.66 2019.\n-00005e30: 3535 2c2d 3130 3538 2e32 3720 3230 3236  55,-1058.27 2026\n-00005e40: 2e35 322c 2d31 3035 382e 3935 222f 3e0a  .52,-1058.95\"/>.\n-00005e50: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00005e60: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174  _src_gromacs_mat\n-00005e70: 6820 2d2d 3e0a 3c67 2069 643d 226e 6f64  h -->.<g id=\"nod\n-00005e80: 6532 3922 2063 6c61 7373 3d22 6e6f 6465  e29\" class=\"node\n-00005e90: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00005ea0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174  _src_gromacs_mat\n-00005eb0: 683c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  h</title>.<ellip\n-00005ec0: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-00005ed0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00005ee0: 2063 783d 2233 3034 2e35 3622 2063 793d   cx=\"304.56\" cy=\n-00005ef0: 222d 3135 352e 3138 2220 7278 3d22 3237  \"-155.18\" rx=\"27\n-00005f00: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-00005f10: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00005f20: 3d22 6d69 6464 6c65 2220 783d 2233 3034  =\"middle\" x=\"304\n-00005f30: 2e35 3622 2079 3d22 2d31 3532 2e36 3822  .56\" y=\"-152.68\"\n-00005f40: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n-00005f50: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n-00005f60: 653d 2231 302e 3030 223e 6d61 7468 3c2f  e=\"10.00\">math</\n-00005f70: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n-00005f80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00005f90: 6373 5f67 7075 5f75 7469 6c73 2623 3435  cs_gpu_utils&#45\n-00005fa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00005fb0: 6772 6f6d 6163 735f 6d61 7468 202d 2d3e  gromacs_math -->\n-00005fc0: 0a3c 6720 6964 3d22 6564 6765 3139 2220  .<g id=\"edge19\" \n-00005fd0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00005fe0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00005ff0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-00006000: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00006010: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174  _src_gromacs_mat\n-00006020: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820  h</title>.<path \n-00006030: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00006040: 6b65 3d22 2332 6363 6332 3822 2073 7472  ke=\"#2ccc28\" str\n-00006050: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00006060: 2c32 2220 643d 224d 3139 3930 2e32 322c  ,2\" d=\"M1990.22,\n-00006070: 2d31 3039 362e 3543 3137 3736 2e31 2c2d  -1096.5C1776.1,-\n-00006080: 3130 3932 2e34 3320 3735 392e 3835 2c2d  1092.43 759.85,-\n-00006090: 3130 3731 2e39 3320 3733 372e 3536 2c2d  1071.93 737.56,-\n-000060a0: 3130 3438 2e37 3920 3535 392e 3633 2c2d  1048.79 559.63,-\n-000060b0: 3836 342e 3036 2031 3635 312e 3836 2c2d  864.06 1651.86,-\n-000060c0: 3831 342e 3738 2031 3830 342e 3536 2c2d  814.78 1804.56,-\n-000060d0: 3630 382e 3720 3139 3131 2e37 342c 2d34  608.7 1911.74,-4\n-000060e0: 3634 2e30 3620 3139 3135 2e35 332c 2d33  64.06 1915.53,-3\n-000060f0: 3139 2e30 3520 3137 3736 2e35 362c 2d32  19.05 1776.56,-2\n-00006100: 3034 2e36 3120 3137 3137 2e35 332c 2d31  04.61 1717.53,-1\n-00006110: 3536 2034 3736 2e38 2c2d 3137 342e 3533  56 476.8,-174.53\n-00006120: 2034 3030 2e35 362c 2d31 3638 2e36 3120   400.56,-168.61 \n-00006130: 3338 302e 3339 2c2d 3136 372e 3034 2033  380.39,-167.04 3\n-00006140: 3537 2e39 362c 2d31 3634 2e32 2033 3339  57.96,-164.2 339\n-00006150: 2e38 362c 2d31 3631 2e36 3322 2f3e 0a3c  .86,-161.63\"/>.<\n-00006160: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00006170: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-00006180: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-00006190: 3334 302e 3135 2c2d 3135 382e 3133 2033  340.15,-158.13 3\n-000061a0: 3239 2e37 352c 2d31 3630 2e31 3620 3333  29.75,-160.16 33\n-000061b0: 392e 3134 2c2d 3136 352e 3036 2033 3430  9.14,-165.06 340\n-000061c0: 2e31 352c 2d31 3538 2e31 3322 2f3e 0a3c  .15,-158.13\"/>.<\n-000061d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000061e0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-000061f0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n-00006200: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00006210: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n-00006220: 2265 6467 6532 3322 2063 6c61 7373 3d22  \"edge23\" class=\"\n-00006230: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00006240: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00006250: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n-00006260: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00006270: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-00006280: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00006290: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n-000062a0: 2220 643d 224d 3135 3239 2e34 362c 2d36  \" d=\"M1529.46,-6\n-000062b0: 3539 2e37 3743 3135 3932 2e30 312c 2d36  59.77C1592.01,-6\n-000062c0: 3631 2e39 2031 3734 332e 3039 2c2d 3637  61.9 1743.09,-67\n-000062d0: 302e 3935 2031 3737 332e 3536 2c2d 3730  0.95 1773.56,-70\n-000062e0: 372e 3537 2031 3738 362e 3136 2c2d 3732  7.57 1786.16,-72\n-000062f0: 322e 3731 2031 3738 302e 3036 2c2d 3734  2.71 1780.06,-74\n-00006300: 352e 3639 2031 3737 302e 3937 2c2d 3736  5.69 1770.97,-76\n-00006310: 322e 3239 222f 3e0a 3c70 6f6c 7967 6f6e  2.29\"/>.<polygon\n-00006320: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-00006330: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00006340: 2231 3736 372e 3733 2c2d 3736 302e 3837  \"1767.73,-760.87\n-00006350: 2031 3736 352e 342c 2d37 3731 2e32 3120   1765.4,-771.21 \n-00006360: 3137 3733 2e36 362c 2d37 3634 2e35 3820  1773.66,-764.58 \n-00006370: 3137 3637 2e37 332c 2d37 3630 2e38 3722  1767.73,-760.87\"\n-00006380: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00006390: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000063a0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-000063b0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-000063c0: 3235 2220 636c 6173 733d 226e 6f64 6522  25\" class=\"node\"\n-000063d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000063e0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-000063f0: 6c61 7273 696d 756c 6174 6f72 3c2f 7469  larsimulator</ti\n-00006400: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n-00006410: 6465 3235 223e 3c61 2078 6c69 6e6b 3a68  de25\"><a xlink:h\n-00006420: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n-00006430: 6c65 5f5f 6d6f 6475 6c61 7273 696d 756c  le__modularsimul\n-00006440: 6174 6f72 2e78 6874 6d6c 2220 7461 7267  ator.xhtml\" targ\n-00006450: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-00006460: 7469 746c 653d 226d 6f64 756c 6172 7369  title=\"modularsi\n-00006470: 6d75 6c61 746f 7222 3e0a 3c65 6c6c 6970  mulator\">.<ellip\n-00006480: 7365 2066 696c 6c3d 2223 6535 6363 6666  se fill=\"#e5ccff\n-00006490: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-000064a0: 2063 783d 2231 3733 302e 3536 2220 6379   cx=\"1730.56\" cy\n-000064b0: 3d22 2d35 3935 2e32 3722 2072 783d 2236  =\"-595.27\" rx=\"6\n-000064c0: 352e 3131 2220 7279 3d22 3133 2e33 3722  5.11\" ry=\"13.37\"\n-000064d0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-000064e0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-000064f0: 2231 3733 302e 3536 2220 793d 222d 3539  \"1730.56\" y=\"-59\n-00006500: 322e 3737 2220 666f 6e74 2d66 616d 696c  2.77\" font-famil\n-00006510: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-00006520: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d  t-size=\"10.00\">m\n-00006530: 6f64 756c 6172 7369 6d75 6c61 746f 723c  odularsimulator<\n-00006540: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-00006550: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00006560: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-00006570: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64  leio&#45;&gt;mod\n-00006580: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00006590: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-000065a0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000065b0: 3234 2220 636c 6173 733d 2265 6467 6522  24\" class=\"edge\"\n-000065c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000065d0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-000065e0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n-000065f0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n-00006600: 6475 6c61 7273 696d 756c 6174 6f72 3c2f  dularsimulator</\n-00006610: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00006620: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00006630: 2272 6564 2220 643d 224d 3135 3234 2e36  \"red\" d=\"M1524.6\n-00006640: 342c 2d36 3530 2e30 3343 3135 3630 2e34  4,-650.03C1560.4\n-00006650: 2c2d 3633 392e 3739 2031 3633 312e 3431  ,-639.79 1631.41\n-00006660: 2c2d 3632 302e 3735 2031 3638 302e 3031  ,-620.75 1680.01\n-00006670: 2c2d 3630 382e 3239 222f 3e0a 3c70 6f6c  ,-608.29\"/>.<pol\n-00006680: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-00006690: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-000066a0: 6e74 733d 2231 3638 302e 3839 2c2d 3631  nts=\"1680.89,-61\n-000066b0: 312e 3638 2031 3638 392e 3731 2c2d 3630  1.68 1689.71,-60\n-000066c0: 352e 3832 2031 3637 392e 3136 2c2d 3630  5.82 1679.16,-60\n-000066d0: 342e 3920 3136 3830 2e38 392c 2d36 3131  4.9 1680.89,-611\n-000066e0: 2e36 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .68\"/>.</g>.<!--\n-000066f0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00006700: 6163 735f 6669 6c65 696f 2623 3435 3b26  acs_fileio&#45;&\n-00006710: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00006720: 6f6d 6163 735f 6d64 7370 616e 202d 2d3e  omacs_mdspan -->\n-00006730: 0a3c 6720 6964 3d22 6564 6765 3235 2220  .<g id=\"edge25\" \n-00006740: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00006750: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00006760: 6772 6f6d 6163 735f 6669 6c65 696f 2623  gromacs_fileio&#\n-00006770: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00006780: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n-00006790: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000067a0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000067b0: 653d 2272 6564 2220 643d 224d 3134 3735  e=\"red\" d=\"M1475\n-000067c0: 2e34 322c 2d36 3537 2e36 3643 3134 3232  .42,-657.66C1422\n-000067d0: 2e31 372c 2d36 3537 2e36 3320 3133 3031  .17,-657.63 1301\n-000067e0: 2e34 372c 2d36 3532 2e33 2031 3231 322e  .47,-652.3 1212.\n-000067f0: 3536 2c2d 3630 382e 3720 3131 3735 2e36  56,-608.7 1175.6\n-00006800: 2c2d 3539 302e 3538 2031 3137 342e 3031  ,-590.58 1174.01\n-00006810: 2c2d 3537 342e 3538 2031 3134 342e 3536  ,-574.58 1144.56\n-00006820: 2c2d 3534 352e 3833 2031 3131 362e 372c  ,-545.83 1116.7,\n-00006830: 2d35 3138 2e36 3320 3131 3130 2e33 322c  -518.63 1110.32,\n-00006840: 2d35 3131 2e32 3420 3130 3833 2e35 362c  -511.24 1083.56,\n-00006850: 2d34 3832 2e39 3620 3130 3537 2e34 332c  -482.96 1057.43,\n-00006860: 2d34 3535 2e33 3420 3130 3531 2e32 322c  -455.34 1051.22,\n-00006870: 2d34 3438 2e31 3420 3130 3235 2e35 362c  -448.14 1025.56,\n-00006880: 2d34 3230 2e30 3920 3937 342e 3635 2c2d  -420.09 974.65,-\n-00006890: 3336 342e 3433 2039 3535 2e35 362c 2d33  364.43 955.56,-3\n-000068a0: 3535 2e36 3220 3931 312e 3536 2c2d 3239  55.62 911.56,-29\n-000068b0: 342e 3335 2039 3033 2e35 382c 2d32 3833  4.35 903.58,-283\n-000068c0: 2e32 3420 3930 372e 3738 2c2d 3237 352e  .24 907.78,-275.\n-000068d0: 3320 3839 362e 3536 2c2d 3236 372e 3438  3 896.56,-267.48\n-000068e0: 2038 3338 2e36 322c 2d32 3237 2e30 3820   838.62,-227.08 \n-000068f0: 3331 342e 3436 2c2d 3232 322e 3320 3236  314.46,-222.3 26\n-00006900: 382e 3536 2c2d 3136 382e 3631 2032 3531  8.56,-168.61 251\n-00006910: 2e36 322c 2d31 3438 2e38 2032 3737 2e36  .62,-148.8 277.6\n-00006920: 332c 2d31 3234 2e39 3720 3330 302e 3239  3,-124.97 300.29\n-00006930: 2c2d 3130 392e 3522 2f3e 0a3c 706f 6c79  ,-109.5\"/>.<poly\n-00006940: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n-00006950: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n-00006960: 7473 3d22 3330 322e 3235 2c2d 3131 322e  ts=\"302.25,-112.\n-00006970: 3420 3330 382e 3731 2c2d 3130 342e 3031  4 308.71,-104.01\n-00006980: 2032 3938 2e34 332c 2d31 3036 2e35 3420   298.43,-106.54 \n-00006990: 3330 322e 3235 2c2d 3131 322e 3422 2f3e  302.25,-112.4\"/>\n-000069a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000069b0: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-000069c0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64  leio&#45;&gt;mod\n-000069d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000069e0: 636f 6d70 6174 202d 2d3e 0a3c 6720 6964  compat -->.<g id\n-000069f0: 3d22 6564 6765 3237 2220 636c 6173 733d  =\"edge27\" class=\n-00006a00: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00006a10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00006a20: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n-00006a30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00006a40: 6163 735f 636f 6d70 6174 3c2f 7469 746c  acs_compat</titl\n-00006a50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00006a60: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00006a70: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00006a80: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00006a90: 4d31 3532 392e 322c 2d36 3535 2e37 3443  M1529.2,-655.74C\n-00006aa0: 3135 3934 2e31 2c2d 3635 312e 3935 2031  1594.1,-651.95 1\n-00006ab0: 3736 352e 3234 2c2d 3633 392e 3539 2031  765.24,-639.59 1\n-00006ac0: 3930 342e 3536 2c2d 3630 382e 3720 3139  904.56,-608.7 19\n-00006ad0: 3932 2e32 322c 2d35 3839 2e32 3720 3230  92.22,-589.27 20\n-00006ae0: 3133 2e37 322c 2d35 3830 2e34 3820 3230  13.72,-580.48 20\n-00006af0: 3936 2e35 362c 2d35 3435 2e38 3320 3231  96.56,-545.83 21\n-00006b00: 3532 2e38 332c 2d35 3232 2e32 3920 3231  52.83,-522.29 21\n-00006b10: 3833 2e32 352c 2d35 3332 2e37 2032 3231  83.25,-532.7 221\n-00006b20: 382e 3536 2c2d 3438 322e 3936 2032 3238  8.56,-482.96 228\n-00006b30: 362e 3335 2c2d 3338 372e 3439 2032 3237  6.35,-387.49 227\n-00006b40: 352e 3232 2c2d 3233 362e 3138 2032 3236  5.22,-236.18 226\n-00006b50: 372e 3937 2c2d 3137 392e 3034 222f 3e0a  7.97,-179.04\"/>.\n-00006b60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00006b70: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00006b80: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00006b90: 2232 3237 312e 3431 2c2d 3137 382e 3335  \"2271.41,-178.35\n-00006ba0: 2032 3236 362e 362c 2d31 3638 2e39 3120   2266.6,-168.91 \n-00006bb0: 3232 3634 2e34 372c 2d31 3739 2e32 3920  2264.47,-179.29 \n-00006bc0: 3232 3731 2e34 312c 2d31 3738 2e33 3522  2271.41,-178.35\"\n-00006bd0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00006be0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00006bf0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n-00006c00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00006c10: 735f 7472 616a 6563 746f 7279 202d 2d3e  s_trajectory -->\n-00006c20: 0a3c 6720 6964 3d22 6564 6765 3236 2220  .<g id=\"edge26\" \n-00006c30: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00006c40: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00006c50: 6772 6f6d 6163 735f 6669 6c65 696f 2623  gromacs_fileio&#\n-00006c60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00006c70: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-00006c80: 746f 7279 3c2f 7469 746c 653e 0a3c 7061  tory</title>.<pa\n-00006c90: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00006ca0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00006cb0: 643d 224d 3134 3735 2e39 332c 2d36 3535  d=\"M1475.93,-655\n-00006cc0: 2e37 3443 3134 3330 2e30 342c 2d36 3532  .74C1430.04,-652\n-00006cd0: 2e35 2031 3333 332e 3932 2c2d 3634 312e  .5 1333.92,-641.\n-00006ce0: 3937 2031 3236 302e 3536 2c2d 3630 382e  97 1260.56,-608.\n-00006cf0: 3720 3132 3138 2e37 342c 2d35 3839 2e37  7 1218.74,-589.7\n-00006d00: 3320 3132 3132 2e38 322c 2d35 3736 2e34  3 1212.82,-576.4\n-00006d10: 3120 3131 3738 2e35 362c 2d35 3435 2e38  1 1178.56,-545.8\n-00006d20: 3320 3130 3931 2e36 352c 2d34 3638 2e32  3 1091.65,-468.2\n-00006d30: 3620 3130 3737 2e30 362c 2d34 3431 2e34  6 1077.06,-441.4\n-00006d40: 3220 3939 362e 3536 2c2d 3335 372e 3232  2 996.56,-357.22\n-00006d50: 2039 3538 2e36 2c2d 3331 372e 3531 2039   958.6,-317.51 9\n-00006d60: 3538 2e37 382c 2d32 3935 2e35 3620 3931  58.78,-295.56 91\n-00006d70: 312e 3536 2c2d 3236 372e 3438 2037 3737  1.56,-267.48 777\n-00006d80: 2e36 322c 2d31 3837 2e38 3420 3538 392e  .62,-187.84 589.\n-00006d90: 3737 2c2d 3136 352e 3132 2035 3030 2e39  77,-165.12 500.9\n-00006da0: 322c 2d31 3538 2e36 3922 2f3e 0a3c 706f  2,-158.69\"/>.<po\n-00006db0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00006dc0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00006dd0: 6266 6266 2220 706f 696e 7473 3d22 3530  bfbf\" points=\"50\n-00006de0: 312e 3035 2c2d 3135 352e 3139 2034 3930  1.05,-155.19 490\n-00006df0: 2e38 342c 2d31 3538 2035 3030 2e35 372c  .84,-158 500.57,\n-00006e00: 2d31 3632 2e31 3720 3530 312e 3035 2c2d  -162.17 501.05,-\n-00006e10: 3135 352e 3139 222f 3e0a 3c2f 673e 0a3c  155.19\"/>.</g>.<\n-00006e20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00006e30: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-00006e40: 3e0a 3c67 2069 643d 226e 6f64 6533 3722  >.<g id=\"node37\"\n-00006e50: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-00006e60: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00006e70: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c  _gromacs_gmxlib<\n-00006e80: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n-00006e90: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00006ea0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n-00006eb0: 783d 2231 3533 332e 3536 2220 6379 3d22  x=\"1533.56\" cy=\"\n-00006ec0: 2d38 3436 2e37 3522 2072 783d 2233 312e  -846.75\" rx=\"31.\n-00006ed0: 3634 2220 7279 3d22 3133 2e33 3722 2f3e  64\" ry=\"13.37\"/>\n-00006ee0: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00006ef0: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  or=\"middle\" x=\"1\n-00006f00: 3533 332e 3536 2220 793d 222d 3834 342e  533.56\" y=\"-844.\n-00006f10: 3235 2220 666f 6e74 2d66 616d 696c 793d  25\" font-family=\n-00006f20: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-00006f30: 7369 7a65 3d22 3130 2e30 3022 3e67 6d78  size=\"10.00\">gmx\n-00006f40: 6c69 623c 2f74 6578 743e 0a3c 2f67 3e0a  lib</text>.</g>.\n-00006f50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00006f60: 6772 6f6d 6163 735f 6669 6c65 696f 2623  gromacs_fileio&#\n-00006f70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00006f80: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-00006f90: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00006fa0: 3231 2220 636c 6173 733d 2265 6467 6522  21\" class=\"edge\"\n-00006fb0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00006fc0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-00006fd0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n-00006fe0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00006ff0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061  xlib</title>.<pa\n-00007000: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00007010: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00007020: 643d 224d 3135 3034 2e36 332c 2d36 3731  d=\"M1504.63,-671\n-00007030: 2e36 3143 3135 3039 2e37 392c 2d37 3032  .61C1509.79,-702\n-00007040: 2e36 3320 3135 3233 2e32 332c 2d37 3833  .63 1523.23,-783\n-00007050: 2e35 3620 3135 3239 2e38 312c 2d38 3233  .56 1529.81,-823\n-00007060: 2e32 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .2\"/>.<polygon f\n-00007070: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00007080: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00007090: 6f69 6e74 733d 2231 3532 362e 3339 2c2d  oints=\"1526.39,-\n-000070a0: 3832 332e 3932 2031 3533 312e 3438 2c2d  823.92 1531.48,-\n-000070b0: 3833 332e 3231 2031 3533 332e 3239 2c2d  833.21 1533.29,-\n-000070c0: 3832 322e 3737 2031 3532 362e 3339 2c2d  822.77 1526.39,-\n-000070d0: 3832 332e 3932 222f 3e0a 3c2f 673e 0a3c  823.92\"/>.</g>.<\n-000070e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000070f0: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n-00007100: 6974 7920 2d2d 3e0a 3c67 2069 643d 226e  ity -->.<g id=\"n\n-00007110: 6f64 6534 3722 2063 6c61 7373 3d22 6e6f  ode47\" class=\"no\n-00007120: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-00007130: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00007140: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n-00007150: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-00007160: 6534 3722 3e3c 6120 786c 696e 6b3a 6872  e47\"><a xlink:hr\n-00007170: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n-00007180: 655f 5f6d 6472 756e 7574 696c 6974 792e  e__mdrunutility.\n-00007190: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n-000071a0: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n-000071b0: 3d22 6d64 7275 6e75 7469 6c69 7479 223e  =\"mdrunutility\">\n-000071c0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-000071d0: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n-000071e0: 2262 6c61 636b 2220 6378 3d22 3230 3534  \"black\" cx=\"2054\n-000071f0: 2e35 3622 2063 793d 222d 3930 392e 3632  .56\" cy=\"-909.62\n-00007200: 2220 7278 3d22 3437 2e32 3522 2072 793d  \" rx=\"47.25\" ry=\n-00007210: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-00007220: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-00007230: 646c 6522 2078 3d22 3230 3534 2e35 3622  dle\" x=\"2054.56\"\n-00007240: 2079 3d22 2d39 3037 2e31 3222 2066 6f6e   y=\"-907.12\" fon\n-00007250: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00007260: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00007270: 302e 3030 223e 6d64 7275 6e75 7469 6c69  0.00\">mdrunutili\n-00007280: 7479 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  ty</text>.</a>.<\n-00007290: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n-000072a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000072b0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n-000072c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000072d0: 6373 5f6d 6472 756e 7574 696c 6974 7920  cs_mdrunutility \n-000072e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000072f0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n-00007300: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00007310: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-00007320: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n-00007330: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00007340: 756e 7574 696c 6974 793c 2f74 6974 6c65  unutility</title\n-00007350: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00007360: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00007370: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00007380: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00007390: 3135 3238 2e39 332c 2d36 3631 2e30 3743  1528.93,-661.07C\n-000073a0: 3135 3930 2e33 2c2d 3636 362e 3334 2031  1590.3,-666.34 1\n-000073b0: 3733 392e 3531 2c2d 3638 322e 3331 2031  739.51,-682.31 1\n-000073c0: 3738 312e 3536 2c2d 3730 372e 3537 2031  781.56,-707.57 1\n-000073d0: 3835 352e 3532 2c2d 3735 3220 3138 3330  855.52,-752 1830\n-000073e0: 2e32 322c 2d38 3131 2e36 3420 3139 3031  .22,-811.64 1901\n-000073f0: 2e35 362c 2d38 3630 2e31 3820 3139 3332  .56,-860.18 1932\n-00007400: 2e36 362c 2d38 3831 2e33 3420 3139 3733  .66,-881.34 1973\n-00007410: 2e32 312c 2d38 3933 2e34 3520 3230 3034  .21,-893.45 2004\n-00007420: 2e38 332c 2d39 3030 2e32 3722 2f3e 0a3c  .83,-900.27\"/>.<\n-00007430: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00007440: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00007450: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00007460: 3230 3034 2e32 362c 2d39 3033 2e37 3320  2004.26,-903.73 \n-00007470: 3230 3134 2e37 362c 2d39 3032 2e33 3120  2014.76,-902.31 \n-00007480: 3230 3035 2e36 372c 2d38 3936 2e38 3720  2005.67,-896.87 \n-00007490: 3230 3034 2e32 362c 2d39 3033 2e37 3322  2004.26,-903.73\"\n-000074a0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-000074b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000074c0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n+00004000: 635f 6772 6f6d 6163 735f 7469 6d69 6e67  c_gromacs_timing\n+00004010: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n+00004020: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n+00004030: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00004040: 6378 3d22 3738 3922 2063 793d 222d 3131  cx=\"789\" cy=\"-11\n+00004050: 3631 2e31 2220 7278 3d22 3330 2e33 3122  61.1\" rx=\"30.31\"\n+00004060: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00004070: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00004080: 226d 6964 646c 6522 2078 3d22 3738 3922  \"middle\" x=\"789\"\n+00004090: 2079 3d22 2d31 3135 382e 3622 2066 6f6e   y=\"-1158.6\" fon\n+000040a0: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+000040b0: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+000040c0: 302e 3030 223e 7469 6d69 6e67 3c2f 7465  0.00\">timing</te\n+000040d0: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n+000040e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000040f0: 5f74 696d 696e 6726 2334 353b 2667 743b  _timing&#45;&gt;\n+00004100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00004110: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c  cs_mdtypes -->.<\n+00004120: 6720 6964 3d22 6564 6765 3139 2220 636c  g id=\"edge19\" cl\n+00004130: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00004140: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00004150: 6f6d 6163 735f 7469 6d69 6e67 2623 3435  omacs_timing&#45\n+00004160: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00004170: 6772 6f6d 6163 735f 6d64 7479 7065 733c  gromacs_mdtypes<\n+00004180: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00004190: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+000041a0: 3d22 2362 6662 6662 6622 2064 3d22 4d37  =\"#bfbfbf\" d=\"M7\n+000041b0: 3839 2c2d 3131 3437 2e34 3843 3738 392c  89,-1147.48C789,\n+000041c0: 2d31 3134 302e 3134 2037 3839 2c2d 3131  -1140.14 789,-11\n+000041d0: 3330 2e36 3520 3738 392c 2d31 3132 322e  30.65 789,-1122.\n+000041e0: 3034 222f 3e0a 3c70 6f6c 7967 6f6e 2066  04\"/>.<polygon f\n+000041f0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00004200: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00004210: 6f69 6e74 733d 2237 3932 2e35 2c2d 3131  oints=\"792.5,-11\n+00004220: 3231 2e38 3220 3738 392c 2d31 3131 312e  21.82 789,-1111.\n+00004230: 3832 2037 3835 2e35 2c2d 3131 3231 2e38  82 785.5,-1121.8\n+00004240: 3220 3739 322e 352c 2d31 3132 312e 3832  2 792.5,-1121.82\n+00004250: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00004260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00004270: 5f64 6f6d 6465 6326 2334 353b 2667 743b  _domdec&#45;&gt;\n+00004280: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00004290: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c  cs_mdtypes -->.<\n+000042a0: 6720 6964 3d22 6564 6765 3233 2220 636c  g id=\"edge23\" cl\n+000042b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000042c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000042d0: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+000042e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000042f0: 6772 6f6d 6163 735f 6d64 7479 7065 733c  gromacs_mdtypes<\n+00004300: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00004310: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00004320: 3d22 2362 6662 6662 6622 2064 3d22 4d39  =\"#bfbfbf\" d=\"M9\n+00004330: 3137 2e32 352c 2d32 3232 4337 3930 2e37  17.25,-222C790.7\n+00004340: 332c 2d32 3332 2e32 2033 3632 2e38 382c  3,-232.2 362.88,\n+00004350: 2d32 3635 2e34 3120 3336 302c 2d32 3637  -265.41 360,-267\n+00004360: 2e34 3820 3233 352e 3036 2c2d 3335 372e  .48 235.06,-357.\n+00004370: 3220 3234 362c 2d34 3430 2e34 3420 3234  2 246,-440.44 24\n+00004380: 362c 2d35 3934 2e32 3720 3234 362c 2d36  6,-594.27 246,-6\n+00004390: 3539 2e31 3420 3234 362c 2d36 3539 2e31  59.14 246,-659.1\n+000043a0: 3420 3234 362c 2d36 3539 2e31 3420 3234  4 246,-659.14 24\n+000043b0: 362c 2d36 3832 2e39 3620 3430 352e 3832  6,-682.96 405.82\n+000043c0: 2c2d 3130 3334 2e36 3720 3432 352c 2d31  ,-1034.67 425,-1\n+000043d0: 3034 382e 3739 2034 3734 2e35 382c 2d31  048.79 474.58,-1\n+000043e0: 3038 352e 3320 3635 332e 3533 2c2d 3130  085.3 653.53,-10\n+000043f0: 3934 2e33 2037 3430 2e37 342c 2d31 3039  94.3 740.74,-109\n+00004400: 362e 3531 222f 3e0a 3c70 6f6c 7967 6f6e  6.51\"/>.<polygon\n+00004410: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00004420: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00004430: 2070 6f69 6e74 733d 2237 3430 2e38 332c   points=\"740.83,\n+00004440: 2d31 3130 302e 3032 2037 3530 2e39 312c  -1100.02 750.91,\n+00004450: 2d31 3039 362e 3735 2037 3430 2e39 392c  -1096.75 740.99,\n+00004460: 2d31 3039 332e 3032 2037 3430 2e38 332c  -1093.02 740.83,\n+00004470: 2d31 3130 302e 3032 222f 3e0a 3c2f 673e  -1100.02\"/>.</g>\n+00004480: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00004490: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n+000044a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000044b0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+000044c0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+000044d0: 6532 3422 2063 6c61 7373 3d22 6564 6765  e24\" class=\"edge\n+000044e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000044f0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n+00004500: 6465 6326 2334 353b 2667 743b 6d6f 6475  dec&#45;&gt;modu\n+00004510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00004520: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n+00004530: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00004540: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00004550: 2064 3d22 4d39 3136 2e35 332c 2d32 3231   d=\"M916.53,-221\n+00004560: 2e32 3243 3835 392e 3533 2c2d 3232 352e  .22C859.53,-225.\n+00004570: 3439 2037 3434 2e35 362c 2d32 3337 2e33  49 744.56,-237.3\n+00004580: 3620 3635 322c 2d32 3637 2e34 3820 3533  6 652,-267.48 53\n+00004590: 342e 3439 2c2d 3330 352e 3733 2034 3638  4.49,-305.73 468\n+000045a0: 2e36 382c 2d32 3837 2e39 3220 3430 342c  .68,-287.92 404,\n+000045b0: 2d33 3933 2e32 3220 3337 312e 3633 2c2d  -393.22 371.63,-\n+000045c0: 3434 352e 3933 2033 3736 2e36 332c 2d36  445.93 376.63,-6\n+000045d0: 3136 2e31 2034 3034 2c2d 3637 312e 3537  16.1 404,-671.57\n+000045e0: 2034 3830 2c2d 3832 352e 3620 3730 322e   480,-825.6 702.\n+000045f0: 3937 2c2d 3838 342e 3139 2037 3933 2e33  97,-884.19 793.3\n+00004600: 312c 2d39 3032 2e30 3222 2f3e 0a3c 706f  1,-902.02\"/>.<po\n+00004610: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+00004620: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+00004630: 6266 6266 2220 706f 696e 7473 3d22 3739  bfbf\" points=\"79\n+00004640: 322e 3637 2c2d 3930 352e 3436 2038 3033  2.67,-905.46 803\n+00004650: 2e31 352c 2d39 3033 2e39 2037 3933 2e39  .15,-903.9 793.9\n+00004660: 392c 2d38 3938 2e35 3820 3739 322e 3637  9,-898.58 792.67\n+00004670: 2c2d 3930 352e 3436 222f 3e0a 3c2f 673e  ,-905.46\"/>.</g>\n+00004680: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00004690: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n+000046a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000046b0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+000046c0: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n+000046d0: 6564 6765 3236 2220 636c 6173 733d 2265  edge26\" class=\"e\n+000046e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000046f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00004700: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n+00004710: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00004720: 735f 6770 755f 7574 696c 733c 2f74 6974  s_gpu_utils</tit\n+00004730: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00004740: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00004750: 6662 6662 6622 2064 3d22 4d39 3438 2e36  fbfbf\" d=\"M948.6\n+00004760: 312c 2d32 3331 2e35 3843 3934 322e 392c  1,-231.58C942.9,\n+00004770: 2d32 3533 2e38 3120 3933 322c 2d33 3031  -253.81 932,-301\n+00004780: 2e36 3620 3933 322c 2d33 3432 2e37 3920  .66 932,-342.79 \n+00004790: 3933 322c 2d34 3037 2e36 3620 3933 322c  932,-407.66 932,\n+000047a0: 2d34 3037 2e36 3620 3933 322c 2d34 3037  -407.66 932,-407\n+000047b0: 2e36 3620 3933 322c 2d34 3938 2039 3232  .66 932,-498 922\n+000047c0: 2e34 332c 2d35 3230 2e37 2039 3032 2c2d  .43,-520.7 902,-\n+000047d0: 3630 382e 3720 3838 322e 3131 2c2d 3639  608.7 882.11,-69\n+000047e0: 342e 3339 2038 3831 2e35 382c 2d37 3138  4.39 881.58,-718\n+000047f0: 2e37 3520 3834 322c 2d37 3937 2e33 3120  .75 842,-797.31 \n+00004800: 3833 332e 3132 2c2d 3831 342e 3934 2038  833.12,-814.94 8\n+00004810: 3235 2e35 2c2d 3831 362e 3031 2038 3136  25.5,-816.01 816\n+00004820: 2c2d 3833 332e 3331 2038 3031 2e35 332c  ,-833.31 801.53,\n+00004830: 2d38 3539 2e36 3720 3739 362e 3636 2c2d  -859.67 796.66,-\n+00004840: 3836 362e 3635 2037 3931 2c2d 3839 362e  866.65 791,-896.\n+00004850: 3138 2037 3838 2e37 352c 2d39 3037 2e39  18 788.75,-907.9\n+00004860: 3120 3738 362e 3339 2c2d 3931 322e 3034  1 786.39,-912.04\n+00004870: 2037 3931 2c2d 3932 332e 3035 2038 3038   791,-923.05 808\n+00004880: 2e33 372c 2d39 3634 2e35 3420 3834 392e  .37,-964.54 849.\n+00004890: 3537 2c2d 3939 382e 3339 2038 3737 2e31  57,-998.39 877.1\n+000048a0: 322c 2d31 3031 372e 3437 222f 3e0a 3c70  2,-1017.47\"/>.<p\n+000048b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+000048c0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+000048d0: 6662 6662 6622 2070 6f69 6e74 733d 2238  fbfbf\" points=\"8\n+000048e0: 3735 2e32 392c 2d31 3032 302e 3435 2038  75.29,-1020.45 8\n+000048f0: 3835 2e35 342c 2d31 3032 332e 3133 2038  85.54,-1023.13 8\n+00004900: 3739 2e32 2c2d 3130 3134 2e36 3520 3837  79.2,-1014.65 87\n+00004910: 352e 3239 2c2d 3130 3230 2e34 3522 2f3e  5.29,-1020.45\"/>\n+00004920: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00004930: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n+00004940: 6420 2d2d 3e0a 3c67 2069 643d 226e 6f64  d -->.<g id=\"nod\n+00004950: 6531 3222 2063 6c61 7373 3d22 6e6f 6465  e12\" class=\"node\n+00004960: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00004970: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n+00004980: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n+00004990: 615f 6e6f 6465 3132 223e 3c61 2078 6c69  a_node12\"><a xli\n+000049a0: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n+000049b0: 6d6f 6475 6c65 5f5f 696d 642e 7868 746d  module__imd.xhtm\n+000049c0: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n+000049d0: 2078 6c69 6e6b 3a74 6974 6c65 3d22 696d   xlink:title=\"im\n+000049e0: 6422 3e0a 3c65 6c6c 6970 7365 2066 696c  d\">.<ellipse fil\n+000049f0: 6c3d 2223 6535 6363 6666 2220 7374 726f  l=\"#e5ccff\" stro\n+00004a00: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n+00004a10: 3430 3022 2063 793d 222d 3135 352e 3138  400\" cy=\"-155.18\n+00004a20: 2220 7278 3d22 3237 2220 7279 3d22 3133  \" rx=\"27\" ry=\"13\n+00004a30: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+00004a40: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00004a50: 2220 783d 2231 3430 3022 2079 3d22 2d31  \" x=\"1400\" y=\"-1\n+00004a60: 3532 2e36 3822 2066 6f6e 742d 6661 6d69  52.68\" font-fami\n+00004a70: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+00004a80: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+00004a90: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a  imd</text>.</a>.\n+00004aa0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n+00004ab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00004ac0: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+00004ad0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00004ae0: 6163 735f 696d 6420 2d2d 3e0a 3c67 2069  acs_imd -->.<g i\n+00004af0: 643d 2265 6467 6533 3122 2063 6c61 7373  d=\"edge31\" class\n+00004b00: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00004b10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00004b20: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n+00004b30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00004b40: 6d61 6373 5f69 6d64 3c2f 7469 746c 653e  macs_imd</title>\n+00004b50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00004b60: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00004b70: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00004b80: 7272 6179 3d22 352c 3222 2064 3d22 4d39  rray=\"5,2\" d=\"M9\n+00004b90: 3834 2e33 392c 2d32 3132 2e31 3243 3130  84.39,-212.12C10\n+00004ba0: 3636 2c2d 3230 302e 3520 3132 3739 2e30  66,-200.5 1279.0\n+00004bb0: 322c 2d31 3731 2e35 3720 3133 3634 2e31  2,-171.57 1364.1\n+00004bc0: 392c 2d31 3630 2e35 3422 2f3e 0a3c 706f  9,-160.54\"/>.<po\n+00004bd0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00004be0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00004bf0: 3266 6363 2220 706f 696e 7473 3d22 3133  2fcc\" points=\"13\n+00004c00: 3634 2e36 392c 2d31 3634 2031 3337 342e  64.69,-164 1374.\n+00004c10: 3136 2c2d 3135 392e 3235 2031 3336 332e  16,-159.25 1363.\n+00004c20: 3739 2c2d 3135 372e 3036 2031 3336 342e  79,-157.06 1364.\n+00004c30: 3639 2c2d 3136 3422 2f3e 0a3c 2f67 3e0a  69,-164\"/>.</g>.\n+00004c40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00004c50: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00004c60: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+00004c70: 6e6f 6465 3133 2220 636c 6173 733d 226e  node13\" class=\"n\n+00004c80: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+00004c90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00004ca0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n+00004cb0: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n+00004cc0: 6465 3133 223e 3c61 2078 6c69 6e6b 3a68  de13\"><a xlink:h\n+00004cd0: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n+00004ce0: 6c65 5f5f 6d64 7275 6e75 7469 6c69 7479  le__mdrunutility\n+00004cf0: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n+00004d00: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n+00004d10: 653d 226d 6472 756e 7574 696c 6974 7922  e=\"mdrunutility\"\n+00004d20: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00004d30: 2223 6535 6363 6666 2220 7374 726f 6b65  \"#e5ccff\" stroke\n+00004d40: 3d22 626c 6163 6b22 2063 783d 2231 3338  =\"black\" cx=\"138\n+00004d50: 3322 2063 793d 222d 3635 382e 3134 2220  3\" cy=\"-658.14\" \n+00004d60: 7278 3d22 3437 2e32 3522 2072 793d 2231  rx=\"47.25\" ry=\"1\n+00004d70: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+00004d80: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+00004d90: 6522 2078 3d22 3133 3833 2220 793d 222d  e\" x=\"1383\" y=\"-\n+00004da0: 3635 352e 3634 2220 666f 6e74 2d66 616d  655.64\" font-fam\n+00004db0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00004dc0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00004dd0: 3e6d 6472 756e 7574 696c 6974 793c 2f74  >mdrunutility</t\n+00004de0: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n+00004df0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00004e00: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+00004e10: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n+00004e20: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00004e30: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c  runutility -->.<\n+00004e40: 6720 6964 3d22 6564 6765 3330 2220 636c  g id=\"edge30\" cl\n+00004e50: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00004e60: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00004e70: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+00004e80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00004e90: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00004ea0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061  lity</title>.<pa\n+00004eb0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00004ec0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00004ed0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00004ee0: 3d22 352c 3222 2064 3d22 4d39 3837 2e31  =\"5,2\" d=\"M987.1\n+00004ef0: 322c 2d32 3231 2e33 3543 3130 3531 2e39  2,-221.35C1051.9\n+00004f00: 382c 2d32 3236 2e32 3220 3131 3837 2e32  8,-226.22 1187.2\n+00004f10: 362c 2d32 3339 2e35 3220 3132 3234 2c2d  6,-239.52 1224,-\n+00004f20: 3236 372e 3438 2031 3234 352e 3132 2c2d  267.48 1245.12,-\n+00004f30: 3238 332e 3535 2031 3331 322e 3836 2c2d  283.55 1312.86,-\n+00004f40: 3436 302e 3531 2031 3332 372c 2d34 3832  460.51 1327,-482\n+00004f50: 2e39 3620 3133 3337 2e39 352c 2d35 3030  .96 1337.95,-500\n+00004f60: 2e33 3520 3133 3437 2e33 332c 2d35 3030  .35 1347.33,-500\n+00004f70: 2e33 3320 3133 3536 2c2d 3531 382e 3936  .33 1356,-518.96\n+00004f80: 2031 3337 332e 3735 2c2d 3535 372e 3131   1373.75,-557.11\n+00004f90: 2031 3337 392e 3834 2c2d 3630 362e 3433   1379.84,-606.43\n+00004fa0: 2031 3338 312e 3932 2c2d 3633 342e 3635   1381.92,-634.65\n+00004fb0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00004fc0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00004fd0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00004fe0: 6e74 733d 2231 3337 382e 3433 2c2d 3633  nts=\"1378.43,-63\n+00004ff0: 342e 3934 2031 3338 322e 3536 2c2d 3634  4.94 1382.56,-64\n+00005000: 342e 3720 3133 3835 2e34 322c 2d36 3334  4.7 1385.42,-634\n+00005010: 2e35 2031 3337 382e 3433 2c2d 3633 342e  .5 1378.43,-634.\n+00005020: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20  94\"/>.</g>.<!-- \n+00005030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00005040: 6373 5f6d 6472 756e 202d 2d3e 0a3c 6720  cs_mdrun -->.<g \n+00005050: 6964 3d22 6e6f 6465 3134 2220 636c 6173  id=\"node14\" clas\n+00005060: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+00005070: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00005080: 6163 735f 6d64 7275 6e3c 2f74 6974 6c65  acs_mdrun</title\n+00005090: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6531  >.<g id=\"a_node1\n+000050a0: 3422 3e3c 6120 786c 696e 6b3a 6872 6566  4\"><a xlink:href\n+000050b0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+000050c0: 5f6d 6472 756e 2e78 6874 6d6c 2220 7461  _mdrun.xhtml\" ta\n+000050d0: 7267 6574 3d22 5f74 6f70 2220 786c 696e  rget=\"_top\" xlin\n+000050e0: 6b3a 7469 746c 653d 226d 6472 756e 223e  k:title=\"mdrun\">\n+000050f0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00005100: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n+00005110: 2262 6c61 636b 2220 6378 3d22 3132 3534  \"black\" cx=\"1254\n+00005120: 2220 6379 3d22 2d35 3935 2e32 3722 2072  \" cy=\"-595.27\" r\n+00005130: 783d 2233 312e 3233 2220 7279 3d22 3133  x=\"31.23\" ry=\"13\n+00005140: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+00005150: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00005160: 2220 783d 2231 3235 3422 2079 3d22 2d35  \" x=\"1254\" y=\"-5\n+00005170: 3932 2e37 3722 2066 6f6e 742d 6661 6d69  92.77\" font-fami\n+00005180: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+00005190: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+000051a0: 6d64 7275 6e3c 2f74 6578 743e 0a3c 2f61  mdrun</text>.</a\n+000051b0: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+000051c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+000051d0: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n+000051e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000051f0: 6f6d 6163 735f 6d64 7275 6e20 2d2d 3e0a  omacs_mdrun -->.\n+00005200: 3c67 2069 643d 2265 6467 6532 3922 2063  <g id=\"edge29\" c\n+00005210: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00005220: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00005230: 726f 6d61 6373 5f64 6f6d 6465 6326 2334  romacs_domdec&#4\n+00005240: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00005250: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f  _gromacs_mdrun</\n+00005260: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00005270: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00005280: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00005290: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+000052a0: 2064 3d22 4d39 3836 2e34 352c 2d32 3232   d=\"M986.45,-222\n+000052b0: 2e33 3743 3130 3432 2e32 372c 2d32 3238  .37C1042.27,-228\n+000052c0: 2e38 3120 3131 3438 2e34 352c 2d32 3434  .81 1148.45,-244\n+000052d0: 2e34 3120 3131 3737 2c2d 3236 372e 3438  .41 1177,-267.48\n+000052e0: 2031 3232 352e 322c 2d33 3036 2e34 3320   1225.2,-306.43 \n+000052f0: 3132 3532 2e34 322c 2d35 3033 2e36 3720  1252.42,-503.67 \n+00005300: 3132 3535 2e34 2c2d 3537 312e 3422 2f3e  1255.4,-571.4\"/>\n+00005310: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00005320: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00005330: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00005340: 3d22 3132 3531 2e39 312c 2d35 3731 2e38  =\"1251.91,-571.8\n+00005350: 3920 3132 3535 2e36 372c 2d35 3831 2e37  9 1255.67,-581.7\n+00005360: 3920 3132 3538 2e39 312c 2d35 3731 2e37  9 1258.91,-571.7\n+00005370: 3120 3132 3531 2e39 312c 2d35 3731 2e38  1 1251.91,-571.8\n+00005380: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  9\"/>.</g>.<!-- m\n+00005390: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000053a0: 735f 6c69 7374 6564 5f66 6f72 6365 7320  s_listed_forces \n+000053b0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6531  -->.<g id=\"node1\n+000053c0: 3822 2063 6c61 7373 3d22 6e6f 6465 223e  8\" class=\"node\">\n+000053d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000053e0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+000053f0: 645f 666f 7263 6573 3c2f 7469 746c 653e  d_forces</title>\n+00005400: 0a3c 6720 6964 3d22 615f 6e6f 6465 3138  .<g id=\"a_node18\n+00005410: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n+00005420: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n+00005430: 6c69 7374 6564 5f5f 666f 7263 6573 2e78  listed__forces.x\n+00005440: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n+00005450: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n+00005460: 226c 6973 7465 645f 666f 7263 6573 223e  \"listed_forces\">\n+00005470: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00005480: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n+00005490: 2262 6c61 636b 2220 6378 3d22 3235 3222  \"black\" cx=\"252\"\n+000054a0: 2063 793d 222d 3135 352e 3138 2220 7278   cy=\"-155.18\" rx\n+000054b0: 3d22 3530 2e38 3222 2072 793d 2231 332e  =\"50.82\" ry=\"13.\n+000054c0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+000054d0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000054e0: 2078 3d22 3235 3222 2079 3d22 2d31 3532   x=\"252\" y=\"-152\n+000054f0: 2e36 3822 2066 6f6e 742d 6661 6d69 6c79  .68\" font-family\n+00005500: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+00005510: 2d73 697a 653d 2231 302e 3030 223e 6c69  -size=\"10.00\">li\n+00005520: 7374 6564 5f66 6f72 6365 733c 2f74 6578  sted_forces</tex\n+00005530: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+00005540: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00005550: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+00005560: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00005570: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+00005580: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n+00005590: 2069 643d 2265 6467 6532 3122 2063 6c61   id=\"edge21\" cla\n+000055a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000055b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000055c0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n+000055d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000055e0: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+000055f0: 7263 6573 3c2f 7469 746c 653e 0a3c 7061  rces</title>.<pa\n+00005600: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00005610: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00005620: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00005630: 3d22 352c 3222 2064 3d22 4d39 3137 2e30  =\"5,2\" d=\"M917.0\n+00005640: 372c 2d32 3134 2e32 3743 3830 342e 3035  7,-214.27C804.05\n+00005650: 2c2d 3230 342e 3834 2034 3438 2e32 2c2d  ,-204.84 448.2,-\n+00005660: 3137 332e 3933 2033 3038 2e37 362c 2d31  173.93 308.76,-1\n+00005670: 3631 2e34 3622 2f3e 0a3c 706f 6c79 676f  61.46\"/>.<polygo\n+00005680: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00005690: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+000056a0: 2220 706f 696e 7473 3d22 3330 382e 3938  \" points=\"308.98\n+000056b0: 2c2d 3135 372e 3937 2032 3938 2e37 312c  ,-157.97 298.71,\n+000056c0: 2d31 3630 2e35 3620 3330 382e 3335 2c2d  -160.56 308.35,-\n+000056d0: 3136 342e 3934 2033 3038 2e39 382c 2d31  164.94 308.98,-1\n+000056e0: 3537 2e39 3722 2f3e 0a3c 2f67 3e0a 3c21  57.97\"/>.</g>.<!\n+000056f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00005700: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+00005710: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00005720: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+00005730: 3e0a 3c67 2069 643d 2265 6467 6532 3222  >.<g id=\"edge22\"\n+00005740: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00005750: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00005760: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n+00005770: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00005780: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00005790: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000057a0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+000057b0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+000057c0: 3938 372e 3936 2c2d 3231 392e 3937 4331  987.96,-219.97C1\n+000057d0: 3034 362e 3136 2c2d 3232 322e 3520 3131  046.16,-222.5 11\n+000057e0: 3632 2e39 372c 2d32 3331 2e39 3920 3132  62.97,-231.99 12\n+000057f0: 3534 2c2d 3236 372e 3438 2031 3237 322e  54,-267.48 1272.\n+00005800: 3638 2c2d 3237 342e 3736 2031 3331 362e  68,-274.76 1316.\n+00005810: 3337 2c2d 3330 342e 3932 2031 3334 312e  37,-304.92 1341.\n+00005820: 3636 2c2d 3332 342e 3739 222f 3e0a 3c70  66,-324.79\"/>.<p\n+00005830: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00005840: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00005850: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00005860: 3333 392e 3438 2c2d 3332 372e 3534 2031  339.48,-327.54 1\n+00005870: 3334 392e 3436 2c2d 3333 312e 3039 2031  349.46,-331.09 1\n+00005880: 3334 332e 3838 2c2d 3332 322e 3039 2031  343.88,-322.09 1\n+00005890: 3333 392e 3438 2c2d 3332 372e 3534 222f  339.48,-327.54\"/\n+000058a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000058b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+000058c0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n+000058d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000058e0: 5f6e 626e 786d 202d 2d3e 0a3c 6720 6964  _nbnxm -->.<g id\n+000058f0: 3d22 6564 6765 3235 2220 636c 6173 733d  =\"edge25\" class=\n+00005900: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00005910: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00005920: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+00005930: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00005940: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65  acs_nbnxm</title\n+00005950: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00005960: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00005970: 2064 3d22 4d39 3137 2e35 362c 2d32 3232   d=\"M917.56,-222\n+00005980: 2e32 4337 3934 2e30 322c 2d32 3332 2e39  .2C794.02,-232.9\n+00005990: 3220 3338 312e 3334 2c2d 3236 372e 3233  2 381.34,-267.23\n+000059a0: 2033 3831 2c2d 3236 372e 3438 2033 3536   381,-267.48 356\n+000059b0: 2e38 342c 2d32 3835 2e33 3920 3238 362e  .84,-285.39 286.\n+000059c0: 3636 2c2d 3438 392e 3433 2032 3831 2c2d  66,-489.43 281,-\n+000059d0: 3531 382e 3936 2032 3638 2e31 332c 2d35  518.96 268.13,-5\n+000059e0: 3836 2e31 3520 3238 312e 3736 2c2d 3630  86.15 281.76,-60\n+000059f0: 352e 3932 2033 3031 2c2d 3637 312e 3537  5.92 301,-671.57\n+00005a00: 2033 3138 2e31 352c 2d37 3330 2e31 3120   318.15,-730.11 \n+00005a10: 3331 392e 3331 2c2d 3734 382e 3538 2033  319.31,-748.58 3\n+00005a20: 3536 2c2d 3739 372e 3331 2034 3038 2e34  56,-797.31 408.4\n+00005a30: 342c 2d38 3636 2e39 3720 3439 342e 3035  4,-866.97 494.05\n+00005a40: 2c2d 3932 362e 3531 2035 3334 2e36 362c  ,-926.51 534.66,\n+00005a50: 2d39 3534 2e34 3622 2f3e 0a3c 706f 6c79  -954.46\"/>.<poly\n+00005a60: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+00005a70: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+00005a80: 7473 3d22 3533 322e 3835 2c2d 3935 372e  ts=\"532.85,-957.\n+00005a90: 3436 2035 3433 2e30 372c 2d39 3630 2e32  46 543.07,-960.2\n+00005aa0: 3520 3533 362e 3832 2c2d 3935 312e 3720  5 536.82,-951.7 \n+00005ab0: 3533 322e 3835 2c2d 3935 372e 3436 222f  532.85,-957.46\"/\n+00005ac0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00005ad0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+00005ae0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n+00005af0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00005b00: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n+00005b10: 2069 643d 2265 6467 6532 3822 2063 6c61   id=\"edge28\" cla\n+00005b20: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00005b30: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00005b40: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n+00005b50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00005b60: 726f 6d61 6373 5f68 6172 6477 6172 653c  romacs_hardware<\n+00005b70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00005b80: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00005b90: 3d22 2362 6662 6662 6622 2064 3d22 4d39  =\"#bfbfbf\" d=\"M9\n+00005ba0: 3832 2e30 372c 2d32 3130 2e34 3743 3130  82.07,-210.47C10\n+00005bb0: 3439 2e38 382c 2d31 3935 2e38 3820 3132  49.88,-195.88 12\n+00005bc0: 3139 2e39 392c 2d31 3630 2e36 3120 3133  19.99,-160.61 13\n+00005bd0: 3634 2c2d 3134 312e 3734 2031 3537 302e  64,-141.74 1570.\n+00005be0: 3134 2c2d 3131 342e 3733 2031 3831 372e  14,-114.73 1817.\n+00005bf0: 3835 2c2d 3130 302e 3631 2031 3932 312e  85,-100.61 1921.\n+00005c00: 312c 2d39 352e 3533 222f 3e0a 3c70 6f6c  1,-95.53\"/>.<pol\n+00005c10: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00005c20: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00005c30: 6662 6622 2070 6f69 6e74 733d 2231 3932  fbf\" points=\"192\n+00005c40: 312e 342c 2d39 392e 3032 2031 3933 312e  1.4,-99.02 1931.\n+00005c50: 3232 2c2d 3935 2e30 3420 3139 3231 2e30  22,-95.04 1921.0\n+00005c60: 362c 2d39 322e 3033 2031 3932 312e 342c  6,-92.03 1921.4,\n+00005c70: 2d39 392e 3032 222f 3e0a 3c2f 673e 0a3c  -99.02\"/>.</g>.<\n+00005c80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00005c90: 726f 6d61 6373 5f64 6f6d 6465 6326 2334  romacs_domdec&#4\n+00005ca0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00005cb0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20  _gromacs_fileio \n+00005cc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00005cd0: 3722 2063 6c61 7373 3d22 6564 6765 223e  7\" class=\"edge\">\n+00005ce0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00005cf0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+00005d00: 6326 2334 353b 2667 743b 6d6f 6475 6c65  c&#45;&gt;module\n+00005d10: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+00005d20: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174  eio</title>.<pat\n+00005d30: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00005d40: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00005d50: 3d22 4d39 3532 2c2d 3233 312e 3639 4339  =\"M952,-231.69C9\n+00005d60: 3532 2c2d 3235 342e 3039 2039 3532 2c2d  52,-254.09 952,-\n+00005d70: 3330 322e 3138 2039 3532 2c2d 3334 322e  302.18 952,-342.\n+00005d80: 3739 2039 3532 2c2d 3430 372e 3636 2039  79 952,-407.66 9\n+00005d90: 3532 2c2d 3430 372e 3636 2039 3532 2c2d  52,-407.66 952,-\n+00005da0: 3430 372e 3636 2039 3532 2c2d 3432 362e  407.66 952,-426.\n+00005db0: 3836 2039 3532 2e32 312c 2d36 3639 2e38  86 952.21,-669.8\n+00005dc0: 3820 3130 3539 2c2d 3733 342e 3434 2031  8 1059,-734.44 1\n+00005dd0: 3130 362e 3732 2c2d 3736 332e 3239 2031  106.72,-763.29 1\n+00005de0: 3237 312e 3436 2c2d 3737 362e 3336 2031  271.46,-776.36 1\n+00005df0: 3334 352e 3933 2c2d 3738 302e 3922 2f3e  345.93,-780.9\"/>\n+00005e00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00005e10: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00005e20: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00005e30: 3d22 3133 3436 2e30 352c 2d37 3834 2e34  =\"1346.05,-784.4\n+00005e40: 3120 3133 3536 2e32 342c 2d37 3831 2e35  1 1356.24,-781.5\n+00005e50: 3120 3133 3436 2e34 362c 2d37 3737 2e34  1 1346.46,-777.4\n+00005e60: 3320 3133 3436 2e30 352c 2d37 3834 2e34  3 1346.05,-784.4\n+00005e70: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+00005e80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00005e90: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+00005ea0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00005eb0: 6163 735f 6577 616c 6420 2d2d 3e0a 3c67  acs_ewald -->.<g\n+00005ec0: 2069 643d 2265 6467 6532 3022 2063 6c61   id=\"edge20\" cla\n+00005ed0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00005ee0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00005ef0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n+00005f00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00005f10: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469  romacs_ewald</ti\n+00005f20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00005f30: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+00005f40: 6564 2220 643d 224d 3931 372e 3137 2c2d  ed\" d=\"M917.17,-\n+00005f50: 3232 312e 3743 3835 392e 3139 2c2d 3232  221.7C859.19,-22\n+00005f60: 362e 3620 3734 372e 3132 2c2d 3233 392e  6.6 747.12,-239.\n+00005f70: 3234 2037 3230 2c2d 3236 372e 3438 2036  24 720,-267.48 6\n+00005f80: 3930 2e33 332c 2d32 3938 2e33 3820 3639  90.33,-298.38 69\n+00005f90: 312e 312c 2d33 3532 2e32 3720 3639 312e  1.1,-352.27 691.\n+00005fa0: 352c 2d33 3832 2e38 3222 2f3e 0a3c 706f  5,-382.82\"/>.<po\n+00005fb0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00005fc0: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00005fd0: 696e 7473 3d22 3638 382e 3031 2c2d 3338  ints=\"688.01,-38\n+00005fe0: 322e 3936 2036 3931 2e35 382c 2d33 3932  2.96 691.58,-392\n+00005ff0: 2e39 3320 3639 352e 3031 2c2d 3338 322e  .93 695.01,-382.\n+00006000: 3931 2036 3838 2e30 312c 2d33 3832 2e39  91 688.01,-382.9\n+00006010: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+00006020: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00006030: 735f 7377 6170 202d 2d3e 0a3c 6720 6964  s_swap -->.<g id\n+00006040: 3d22 6e6f 6465 3822 2063 6c61 7373 3d22  =\"node8\" class=\"\n+00006050: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00006060: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00006070: 5f73 7761 703c 2f74 6974 6c65 3e0a 3c67  _swap</title>.<g\n+00006080: 2069 643d 2261 5f6e 6f64 6538 223e 3c61   id=\"a_node8\"><a\n+00006090: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n+000060a0: 7570 5f5f 6d6f 6475 6c65 5f5f 7377 6170  up__module__swap\n+000060b0: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n+000060c0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n+000060d0: 653d 2273 7761 7022 3e0a 3c65 6c6c 6970  e=\"swap\">.<ellip\n+000060e0: 7365 2066 696c 6c3d 2223 6535 6363 6666  se fill=\"#e5ccff\n+000060f0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00006100: 2063 783d 2231 3330 3422 2063 793d 222d   cx=\"1304\" cy=\"-\n+00006110: 3533 322e 3422 2072 783d 2232 372e 3635  532.4\" rx=\"27.65\n+00006120: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+00006130: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+00006140: 3d22 6d69 6464 6c65 2220 783d 2231 3330  =\"middle\" x=\"130\n+00006150: 3422 2079 3d22 2d35 3239 2e39 2220 666f  4\" y=\"-529.9\" fo\n+00006160: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n+00006170: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n+00006180: 3130 2e30 3022 3e73 7761 703c 2f74 6578  10.00\">swap</tex\n+00006190: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+000061a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+000061b0: 635f 6772 6f6d 6163 735f 7377 6170 2623  c_gromacs_swap&#\n+000061c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000061d0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+000061e0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+000061f0: 6533 3722 2063 6c61 7373 3d22 6564 6765  e37\" class=\"edge\n+00006200: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00006210: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n+00006220: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n+00006230: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+00006240: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+00006250: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00006260: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00006270: 643d 224d 3132 3833 2e36 352c 2d35 3431  d=\"M1283.65,-541\n+00006280: 2e35 3443 3132 3634 2e34 332c 2d35 3439  .54C1264.43,-549\n+00006290: 2e38 3520 3132 3335 2e34 332c 2d35 3634  .85 1235.43,-564\n+000062a0: 2e30 3320 3132 3134 2c2d 3538 312e 3833  .03 1214,-581.83\n+000062b0: 2031 3133 312e 3138 2c2d 3635 302e 3632   1131.18,-650.62\n+000062c0: 2031 3132 372e 3933 2c2d 3638 352e 3333   1127.93,-685.33\n+000062d0: 2031 3036 322c 2d37 3730 2e34 3420 3130   1062,-770.44 10\n+000062e0: 3532 2e38 382c 2d37 3832 2e32 3120 3130  52.88,-782.21 10\n+000062f0: 3532 2e36 312c 2d37 3836 2e38 3720 3130  52.61,-786.87 10\n+00006300: 3432 2c2d 3739 372e 3331 2031 3032 322e  42,-797.31 1022.\n+00006310: 3438 2c2d 3831 362e 3532 2031 3031 322e  48,-816.52 1012.\n+00006320: 3432 2c2d 3831 352e 3037 2039 3932 2c2d  42,-815.07 992,-\n+00006330: 3833 332e 3331 2039 3633 2e38 372c 2d38  833.31 963.87,-8\n+00006340: 3538 2e34 3420 3935 392e 3736 2c2d 3836  58.44 959.76,-86\n+00006350: 372e 3733 2039 3335 2c2d 3839 362e 3138  7.73 935,-896.18\n+00006360: 2038 3837 2e32 312c 2d39 3531 2e31 2038   887.21,-951.1 8\n+00006370: 3730 2e39 342c 2d39 3631 2e37 3120 3833  70.94,-961.71 83\n+00006380: 302c 2d31 3032 312e 3932 2038 3138 2e32  0,-1021.92 818.2\n+00006390: 362c 2d31 3033 392e 3139 2038 3037 2e30  6,-1039.19 807.0\n+000063a0: 372c 2d31 3036 302e 3134 2037 3939 2e33  7,-1060.14 799.3\n+000063b0: 362c 2d31 3037 352e 3536 222f 3e0a 3c70  6,-1075.56\"/>.<p\n+000063c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+000063d0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+000063e0: 6662 6662 6622 2070 6f69 6e74 733d 2237  fbfbf\" points=\"7\n+000063f0: 3936 2e30 392c 2d31 3037 342e 3238 2037  96.09,-1074.28 7\n+00006400: 3934 2e38 322c 2d31 3038 342e 3739 2038  94.82,-1084.79 8\n+00006410: 3032 2e33 382c 2d31 3037 372e 3336 2037  02.38,-1077.36 7\n+00006420: 3936 2e30 392c 2d31 3037 342e 3238 222f  96.09,-1074.28\"/\n+00006430: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00006440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+00006450: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n+00006460: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00006470: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+00006480: 2265 6467 6533 3422 2063 6c61 7373 3d22  \"edge34\" class=\"\n+00006490: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000064a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000064b0: 5f73 7761 7026 2334 353b 2667 743b 6d6f  _swap&#45;&gt;mo\n+000064c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000064d0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+000064e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000064f0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00006500: 6622 2064 3d22 4d31 3238 302e 3738 2c2d  f\" d=\"M1280.78,-\n+00006510: 3533 392e 3734 4331 3235 342e 3831 2c2d  539.74C1254.81,-\n+00006520: 3534 372e 3432 2031 3231 322e 3037 2c2d  547.42 1212.07,-\n+00006530: 3536 312e 3835 2031 3137 392c 2d35 3831  561.85 1179,-581\n+00006540: 2e38 3320 3130 3534 2e33 312c 2d36 3537  .83 1054.31,-657\n+00006550: 2e31 3720 3130 3534 2e30 372c 2d37 3137  .17 1054.07,-717\n+00006560: 2e38 2039 3332 2c2d 3739 372e 3331 2039  .8 932,-797.31 9\n+00006570: 3030 2e33 352c 2d38 3137 2e39 3320 3837  00.35,-817.93 87\n+00006580: 392e 3737 2c2d 3830 342e 3738 2038 3535  9.77,-804.78 855\n+00006590: 2c2d 3833 332e 3331 2038 3432 2e33 332c  ,-833.31 842.33,\n+000065a0: 2d38 3437 2e39 2038 3336 2e36 342c 2d38  -847.9 836.64,-8\n+000065b0: 3639 2e33 3520 3833 342e 3038 2c2d 3838  69.35 834.08,-88\n+000065c0: 352e 3632 222f 3e0a 3c70 6f6c 7967 6f6e  5.62\"/>.<polygon\n+000065d0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000065e0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000065f0: 2070 6f69 6e74 733d 2238 3330 2e35 362c   points=\"830.56,\n+00006600: 2d38 3835 2e35 3520 3833 322e 3737 2c2d  -885.55 832.77,-\n+00006610: 3839 352e 3932 2038 3337 2e35 312c 2d38  895.92 837.51,-8\n+00006620: 3836 2e34 3420 3833 302e 3536 2c2d 3838  86.44 830.56,-88\n+00006630: 352e 3535 222f 3e0a 3c2f 673e 0a3c 212d  5.55\"/>.</g>.<!-\n+00006640: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00006650: 6d61 6373 5f73 7761 7026 2334 353b 2667  macs_swap&#45;&g\n+00006660: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00006670: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n+00006680: 3c67 2069 643d 2265 6467 6533 3222 2063  <g id=\"edge32\" c\n+00006690: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+000066a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000066b0: 726f 6d61 6373 5f73 7761 7026 2334 353b  romacs_swap&#45;\n+000066c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000066d0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+000066e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000066f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00006700: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00006710: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00006720: 643d 224d 3132 3932 2e38 392c 2d35 3230  d=\"M1292.89,-520\n+00006730: 2e30 3543 3132 3834 2e34 392c 2d35 3130  .05C1284.49,-510\n+00006740: 2e38 3220 3132 3733 2e33 352c 2d34 3937  .82 1273.35,-497\n+00006750: 2e30 3520 3132 3637 2c2d 3438 322e 3936  .05 1267,-482.96\n+00006760: 2031 3232 362e 3037 2c2d 3339 322e 3120   1226.07,-392.1 \n+00006770: 3132 3834 2e36 362c 2d33 3237 2e33 3620  1284.66,-327.36 \n+00006780: 3132 3035 2c2d 3236 372e 3438 2031 3137  1205,-267.48 117\n+00006790: 322e 3833 2c2d 3234 332e 3320 3130 3630  2.83,-243.3 1060\n+000067a0: 2e38 342c 2d32 3239 2e31 3820 3939 372e  .84,-229.18 997.\n+000067b0: 3137 2c2d 3232 322e 3932 222f 3e0a 3c70  17,-222.92\"/>.<p\n+000067c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+000067d0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+000067e0: 3832 6663 6322 2070 6f69 6e74 733d 2239  82fcc\" points=\"9\n+000067f0: 3937 2e32 392c 2d32 3139 2e34 3220 3938  97.29,-219.42 98\n+00006800: 372e 3031 2c2d 3232 312e 3935 2039 3936  7.01,-221.95 996\n+00006810: 2e36 332c 2d32 3236 2e33 3920 3939 372e  .63,-226.39 997.\n+00006820: 3239 2c2d 3231 392e 3432 222f 3e0a 3c2f  29,-219.42\"/>.</\n+00006830: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00006840: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n+00006850: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00006860: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00006870: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n+00006880: 643d 2265 6467 6533 3622 2063 6c61 7373  d=\"edge36\" class\n+00006890: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+000068a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000068b0: 6373 5f73 7761 7026 2334 353b 2667 743b  cs_swap&#45;&gt;\n+000068c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000068d0: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n+000068e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+000068f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00006900: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00006910: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00006920: 2220 643d 224d 3133 3131 2e38 332c 2d35  \" d=\"M1311.83,-5\n+00006930: 3435 2e36 3643 3133 3235 2e33 2c2d 3536  45.66C1325.3,-56\n+00006940: 362e 3735 2031 3335 322e 3938 2c2d 3631  6.75 1352.98,-61\n+00006950: 302e 3131 2031 3336 392e 3537 2c2d 3633  0.11 1369.57,-63\n+00006960: 362e 3122 2f3e 0a3c 706f 6c79 676f 6e20  6.1\"/>.<polygon \n+00006970: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00006980: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00006990: 706f 696e 7473 3d22 3133 3636 2e38 312c  points=\"1366.81,\n+000069a0: 2d36 3338 2e32 3720 3133 3735 2e31 342c  -638.27 1375.14,\n+000069b0: 2d36 3434 2e38 3220 3133 3732 2e37 312c  -644.82 1372.71,\n+000069c0: 2d36 3334 2e35 3120 3133 3636 2e38 312c  -634.51 1366.81,\n+000069d0: 2d36 3338 2e32 3722 2f3e 0a3c 2f67 3e0a  -638.27\"/>.</g>.\n+000069e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000069f0: 6772 6f6d 6163 735f 7377 6170 2623 3435  gromacs_swap&#45\n+00006a00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00006a10: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+00006a20: 3e0a 3c67 2069 643d 2265 6467 6533 3522  >.<g id=\"edge35\"\n+00006a30: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00006a40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00006a50: 5f67 726f 6d61 6373 5f73 7761 7026 2334  _gromacs_swap&#4\n+00006a60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00006a70: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f  _gromacs_mdlib</\n+00006a80: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00006a90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00006aa0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00006ab0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00006ac0: 2064 3d22 4d31 3330 372e 3736 2c2d 3531   d=\"M1307.76,-51\n+00006ad0: 382e 3836 4331 3331 372e 3131 2c2d 3438  8.86C1317.11,-48\n+00006ae0: 372e 3732 2031 3334 312e 3438 2c2d 3430  7.72 1341.48,-40\n+00006af0: 362e 3531 2031 3335 332e 3333 2c2d 3336  6.51 1353.33,-36\n+00006b00: 372e 3031 222f 3e0a 3c70 6f6c 7967 6f6e  7.01\"/>.<polygon\n+00006b10: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00006b20: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00006b30: 2070 6f69 6e74 733d 2231 3335 362e 3733   points=\"1356.73\n+00006b40: 2c2d 3336 372e 3835 2031 3335 362e 3236  ,-367.85 1356.26\n+00006b50: 2c2d 3335 372e 3236 2031 3335 302e 3033  ,-357.26 1350.03\n+00006b60: 2c2d 3336 352e 3834 2031 3335 362e 3733  ,-365.84 1356.73\n+00006b70: 2c2d 3336 372e 3835 222f 3e0a 3c2f 673e  ,-367.85\"/>.</g>\n+00006b80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00006b90: 5f67 726f 6d61 6373 5f73 7761 7026 2334  _gromacs_swap&#4\n+00006ba0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00006bb0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20  _gromacs_fileio \n+00006bc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n+00006bd0: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n+00006be0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00006bf0: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n+00006c00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00006c10: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00006c20: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n+00006c30: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00006c40: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00006c50: 4d31 3330 342e 3832 2c2d 3534 352e 3839  M1304.82,-545.89\n+00006c60: 4331 3330 362e 372c 2d35 3730 2e35 2031  C1306.7,-570.5 1\n+00006c70: 3331 322e 3336 2c2d 3632 362e 3732 2031  312.36,-626.72 1\n+00006c80: 3332 372c 2d36 3731 2e35 3720 3133 3337  327,-671.57 1337\n+00006c90: 2e38 322c 2d37 3034 2e37 3120 3133 3537  .82,-704.71 1357\n+00006ca0: 2e32 312c 2d37 3430 2e32 3320 3133 3730  .21,-740.23 1370\n+00006cb0: 2e30 392c 2d37 3632 2e30 3122 2f3e 0a3c  .09,-762.01\"/>.<\n+00006cc0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00006cd0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00006ce0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00006cf0: 3133 3637 2e31 382c 2d37 3633 2e39 3620  1367.18,-763.96 \n+00006d00: 3133 3735 2e33 332c 2d37 3730 2e37 3220  1375.33,-770.72 \n+00006d10: 3133 3733 2e31 372c 2d37 3630 2e33 3520  1373.17,-760.35 \n+00006d20: 3133 3637 2e31 382c 2d37 3633 2e39 3622  1367.18,-763.96\"\n+00006d30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00006d40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00006d50: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n+00006d60: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64  s -->.<g id=\"nod\n+00006d70: 6539 2220 636c 6173 733d 226e 6f64 6522  e9\" class=\"node\"\n+00006d80: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00006d90: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n+00006da0: 6e74 6961 6c64 796e 616d 6963 733c 2f74  ntialdynamics</t\n+00006db0: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n+00006dc0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00006dd0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+00006de0: 2231 3039 3022 2063 793d 222d 3238 302e  \"1090\" cy=\"-280.\n+00006df0: 3932 2220 7278 3d22 3639 2e30 3922 2072  92\" rx=\"69.09\" r\n+00006e00: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+00006e10: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+00006e20: 6964 646c 6522 2078 3d22 3130 3930 2220  iddle\" x=\"1090\" \n+00006e30: 793d 222d 3237 382e 3432 2220 666f 6e74  y=\"-278.42\" font\n+00006e40: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+00006e50: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00006e60: 2e30 3022 3e65 7373 656e 7469 616c 6479  .00\">essentialdy\n+00006e70: 6e61 6d69 6373 3c2f 7465 7874 3e0a 3c2f  namics</text>.</\n+00006e80: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00006e90: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n+00006ea0: 7469 616c 6479 6e61 6d69 6373 2623 3435  tialdynamics&#45\n+00006eb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00006ec0: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00006ed0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534  -->.<g id=\"edge4\n+00006ee0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n+00006ef0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00006f00: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n+00006f10: 7469 616c 6479 6e61 6d69 6373 2623 3435  tialdynamics&#45\n+00006f20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00006f30: 6772 6f6d 6163 735f 6d64 7479 7065 733c  gromacs_mdtypes<\n+00006f40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00006f50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00006f60: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00006f70: 3037 372e 3333 2c2d 3239 342e 3137 4331  077.33,-294.17C1\n+00006f80: 3036 372e 3736 2c2d 3330 332e 3638 2031  067.76,-303.68 1\n+00006f90: 3035 342e 3532 2c2d 3331 372e 3338 2031  054.52,-317.38 1\n+00006fa0: 3034 342c 2d33 3330 2e33 3520 3937 392e  044,-330.35 979.\n+00006fb0: 3836 2c2d 3430 392e 3432 2039 3636 2e36  86,-409.42 966.6\n+00006fc0: 382c 2d34 3331 2e38 3420 3931 342c 2d35  8,-431.84 914,-5\n+00006fd0: 3138 2e39 3620 3930 372e 3637 2c2d 3532  18.96 907.67,-52\n+00006fe0: 392e 3433 2037 3039 2c2d 3839 362e 3339  9.43 709,-896.39\n+00006ff0: 2037 3039 2c2d 3930 382e 3632 2037 3039   709,-908.62 709\n+00007000: 2c2d 3937 332e 3439 2037 3039 2c2d 3937  ,-973.49 709,-97\n+00007010: 332e 3439 2037 3039 2c2d 3937 332e 3439  3.49 709,-973.49\n+00007020: 2037 3039 2c2d 3130 3136 2e34 3620 3734   709,-1016.46 74\n+00007030: 332e 3436 2c2d 3130 3536 2e33 3320 3736  3.46,-1056.33 76\n+00007040: 372e 3134 2c2d 3130 3738 2e36 3522 2f3e  7.14,-1078.65\"/>\n+00007050: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00007060: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00007070: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00007080: 3d22 3736 342e 3935 2c2d 3130 3831 2e33  =\"764.95,-1081.3\n+00007090: 3920 3737 342e 372c 2d31 3038 352e 3533  9 774.7,-1085.53\n+000070a0: 2037 3639 2e36 362c 2d31 3037 362e 3231   769.66,-1076.21\n+000070b0: 2037 3634 2e39 352c 2d31 3038 312e 3339   764.95,-1081.39\n+000070c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000070d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000070e0: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n+000070f0: 6373 2623 3435 3b26 6774 3b6d 6f64 756c  cs&#45;&gt;modul\n+00007100: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00007110: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n+00007120: 6564 6765 3431 2220 636c 6173 733d 2265  edge41\" class=\"e\n+00007130: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00007140: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00007150: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n+00007160: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00007170: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00007180: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n+00007190: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000071a0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+000071b0: 3d22 4d31 3038 312e 312c 2d32 3934 2e32  =\"M1081.1,-294.2\n+000071c0: 3443 3130 3734 2e34 362c 2d33 3033 2e37  4C1074.46,-303.7\n+000071d0: 3920 3130 3635 2e34 362c 2d33 3137 2e35  9 1065.46,-317.5\n+000071e0: 3120 3130 3539 2c2d 3333 302e 3335 2031  1 1059,-330.35 1\n+000071f0: 3030 392e 3136 2c2d 3432 392e 3520 3935  009.16,-429.5 95\n+00007200: 322e 322c 2d37 3131 2e33 3620 3838 322c  2.2,-711.36 882,\n+00007210: 2d37 3937 2e33 3120 3836 332e 3035 2c2d  -797.31 863.05,-\n+00007220: 3832 302e 3532 2038 3339 2e34 362c 2d38  820.52 839.46,-8\n+00007230: 3037 2e30 3720 3832 352c 2d38 3333 2e33  07.07 825,-833.3\n+00007240: 3120 3831 362e 3039 2c2d 3834 392e 3437  1 816.09,-849.47\n+00007250: 2038 3139 2e30 382c 2d38 3730 2e35 3920   819.08,-870.59 \n+00007260: 3832 332e 3538 2c2d 3838 362e 3335 222f  823.58,-886.35\"/\n+00007270: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00007280: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00007290: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+000072a0: 733d 2238 3230 2e33 392c 2d38 3837 2e38  s=\"820.39,-887.8\n+000072b0: 3520 3832 362e 3831 2c2d 3839 362e 3237  5 826.81,-896.27\n+000072c0: 2038 3237 2e30 342c 2d38 3835 2e36 3820   827.04,-885.68 \n+000072d0: 3832 302e 3339 2c2d 3838 372e 3835 222f  820.39,-887.85\"/\n+000072e0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000072f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+00007300: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n+00007310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00007320: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+00007330: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564  ec -->.<g id=\"ed\n+00007340: 6765 3339 2220 636c 6173 733d 2265 6467  ge39\" class=\"edg\n+00007350: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00007360: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n+00007370: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n+00007380: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00007390: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+000073a0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n+000073b0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000073c0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+000073d0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+000073e0: 2c32 2220 643d 224d 3130 3633 2e37 322c  ,2\" d=\"M1063.72,\n+000073f0: 2d32 3638 2e33 3243 3130 3430 2e39 2c2d  -268.32C1040.9,-\n+00007400: 3235 382e 3236 2031 3030 372e 382c 2d32  258.26 1007.8,-2\n+00007410: 3433 2e36 3620 3938 332e 3536 2c2d 3233  43.66 983.56,-23\n+00007420: 322e 3936 222f 3e0a 3c70 6f6c 7967 6f6e  2.96\"/>.<polygon\n+00007430: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00007440: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00007450: 2070 6f69 6e74 733d 2239 3834 2e36 352c   points=\"984.65,\n+00007460: 2d32 3239 2e36 3220 3937 342e 3039 2c2d  -229.62 974.09,-\n+00007470: 3232 382e 3739 2039 3831 2e38 332c 2d32  228.79 981.83,-2\n+00007480: 3336 2e30 3320 3938 342e 3635 2c2d 3232  36.03 984.65,-22\n+00007490: 392e 3632 222f 3e0a 3c2f 673e 0a3c 212d  9.62\"/>.</g>.<!-\n+000074a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000074b0: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+000074c0: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d  namics&#45;&gt;m\n 000074d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000074e0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-000074f0: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n-00007500: 6564 6765 3238 2220 636c 6173 733d 2265  edge28\" class=\"e\n-00007510: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00007520: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00007530: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n-00007540: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00007550: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-00007560: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061  _awh</title>.<pa\n-00007570: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00007580: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00007590: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000075a0: 3d22 352c 3222 2064 3d22 4d31 3437 362e  =\"5,2\" d=\"M1476.\n-000075b0: 3538 2c2d 3636 312e 3837 4331 3337 352e  58,-661.87C1375.\n-000075c0: 3734 2c2d 3637 312e 3833 2031 3031 312e  74,-671.83 1011.\n-000075d0: 3034 2c2d 3730 362e 3220 3839 332e 3335  04,-706.2 893.35\n-000075e0: 2c2d 3731 362e 3834 222f 3e0a 3c70 6f6c  ,-716.84\"/>.<pol\n-000075f0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00007600: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00007610: 6663 6322 2070 6f69 6e74 733d 2238 3932  fcc\" points=\"892\n-00007620: 2e37 322c 2d37 3133 2e33 3820 3838 332e  .72,-713.38 883.\n-00007630: 3037 2c2d 3731 372e 3737 2038 3933 2e33  07,-717.77 893.3\n-00007640: 342c 2d37 3230 2e33 3620 3839 322e 3732  4,-720.36 892.72\n-00007650: 2c2d 3731 332e 3338 222f 3e0a 3c2f 673e  ,-713.38\"/>.</g>\n-00007660: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00007670: 5f74 6573 7475 7469 6c73 202d 2d3e 0a3c  _testutils -->.<\n-00007680: 6720 6964 3d22 6e6f 6465 3530 2220 636c  g id=\"node50\" cl\n-00007690: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-000076a0: 6c65 3e6d 6f64 756c 655f 7372 635f 7465  le>module_src_te\n-000076b0: 7374 7574 696c 733c 2f74 6974 6c65 3e0a  stutils</title>.\n-000076c0: 3c67 2069 643d 2261 5f6e 6f64 6535 3022  <g id=\"a_node50\"\n-000076d0: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n-000076e0: 6772 6f75 705f 5f6d 6f64 756c 655f 5f74  group__module__t\n-000076f0: 6573 7475 7469 6c73 2e78 6874 6d6c 2220  estutils.xhtml\" \n-00007700: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n-00007710: 696e 6b3a 7469 746c 653d 2274 6573 7475  ink:title=\"testu\n-00007720: 7469 6c73 223e 0a3c 656c 6c69 7073 6520  tils\">.<ellipse \n-00007730: 6669 6c6c 3d22 2366 6665 3463 6322 2073  fill=\"#ffe4cc\" s\n-00007740: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00007750: 3d22 3238 3337 2e35 3622 2063 793d 222d  =\"2837.56\" cy=\"-\n-00007760: 3130 3335 2e33 3622 2072 783d 2233 362e  1035.36\" rx=\"36.\n-00007770: 3132 2220 7279 3d22 3133 2e33 3722 2f3e  12\" ry=\"13.37\"/>\n-00007780: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00007790: 6f72 3d22 6d69 6464 6c65 2220 783d 2232  or=\"middle\" x=\"2\n-000077a0: 3833 372e 3536 2220 793d 222d 3130 3332  837.56\" y=\"-1032\n-000077b0: 2e38 3622 2066 6f6e 742d 6661 6d69 6c79  .86\" font-family\n-000077c0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-000077d0: 2d73 697a 653d 2231 302e 3030 223e 7465  -size=\"10.00\">te\n-000077e0: 7374 7574 696c 733c 2f74 6578 743e 0a3c  stutils</text>.<\n-000077f0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n-00007800: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00007810: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n-00007820: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00007830: 7465 7374 7574 696c 7320 2d2d 3e0a 3c67  testutils -->.<g\n-00007840: 2069 643d 2265 6467 6532 3922 2063 6c61   id=\"edge29\" cla\n-00007850: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00007860: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00007870: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n-00007880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74  &gt;module_src_t\n-00007890: 6573 7475 7469 6c73 3c2f 7469 746c 653e  estutils</title>\n-000078a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-000078b0: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n-000078c0: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n-000078d0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-000078e0: 3532 392e 3237 2c2d 3636 302e 3734 4331  529.27,-660.74C1\n-000078f0: 3730 372e 3432 2c2d 3637 312e 3731 2032  707.42,-671.71 2\n-00007900: 3731 392e 3437 2c2d 3733 372e 3936 2032  719.47,-737.96 2\n-00007910: 3831 332e 3536 2c2d 3833 332e 3331 2032  813.56,-833.31 2\n-00007920: 3836 302e 3933 2c2d 3838 312e 3331 2032  860.93,-881.31 2\n-00007930: 3835 302e 3738 2c2d 3937 302e 3238 2032  850.78,-970.28 2\n-00007940: 3834 322e 3732 2c2d 3130 3131 2e38 3622  842.72,-1011.86\"\n-00007950: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00007960: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n-00007970: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n-00007980: 7473 3d22 3238 3339 2e32 362c 2d31 3031  ts=\"2839.26,-101\n-00007990: 312e 3320 3238 3430 2e36 352c 2d31 3032  1.3 2840.65,-102\n-000079a0: 312e 3820 3238 3436 2e31 312c 2d31 3031  1.8 2846.11,-101\n-000079b0: 322e 3732 2032 3833 392e 3236 2c2d 3130  2.72 2839.26,-10\n-000079c0: 3131 2e33 222f 3e0a 3c2f 673e 0a3c 212d  11.3\"/>.</g>.<!-\n-000079d0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-000079e0: 6d61 6373 5f73 7461 7469 7374 6963 7320  macs_statistics \n-000079f0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6531  -->.<g id=\"node1\n-00007a00: 3022 2063 6c61 7373 3d22 6e6f 6465 223e  0\" class=\"node\">\n-00007a10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00007a20: 7263 5f67 726f 6d61 6373 5f73 7461 7469  rc_gromacs_stati\n-00007a30: 7374 6963 733c 2f74 6974 6c65 3e0a 3c65  stics</title>.<e\n-00007a40: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n-00007a50: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n-00007a60: 6163 6b22 2063 783d 2231 3130 312e 3536  ack\" cx=\"1101.56\n-00007a70: 2220 6379 3d22 2d37 3231 2e30 3122 2072  \" cy=\"-721.01\" r\n-00007a80: 783d 2233 392e 3722 2072 793d 2231 332e  x=\"39.7\" ry=\"13.\n-00007a90: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n-00007aa0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n-00007ab0: 2078 3d22 3131 3031 2e35 3622 2079 3d22   x=\"1101.56\" y=\"\n-00007ac0: 2d37 3138 2e35 3122 2066 6f6e 742d 6661  -718.51\" font-fa\n-00007ad0: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n-00007ae0: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n-00007af0: 223e 7374 6174 6973 7469 6373 3c2f 7465  \">statistics</te\n-00007b00: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n-00007b10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00007b20: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n-00007b30: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00007b40: 735f 6861 7264 7761 7265 202d 2d3e 0a3c  s_hardware -->.<\n-00007b50: 6720 6964 3d22 6564 6765 3335 2220 636c  g id=\"edge35\" cl\n-00007b60: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00007b70: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00007b80: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n-00007b90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00007ba0: 726f 6d61 6373 5f68 6172 6477 6172 653c  romacs_hardware<\n-00007bb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00007bc0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00007bd0: 3d22 7265 6422 2064 3d22 4d32 3034 312e  =\"red\" d=\"M2041.\n-00007be0: 3637 2c2d 3130 3438 2e32 3743 3230 3531  67,-1048.27C2051\n-00007bf0: 2e36 2c2d 3130 3538 2e30 3620 3230 3636  .6,-1058.06 2066\n-00007c00: 2e30 322c 2d31 3037 322e 3320 3230 3738  .02,-1072.3 2078\n-00007c10: 2e35 362c 2d31 3038 342e 3739 2032 3039  .56,-1084.79 209\n-00007c20: 372e 3539 2c2d 3131 3033 2e37 3520 3231  7.59,-1103.75 21\n-00007c30: 3139 2e32 342c 2d31 3132 352e 3531 2032  19.24,-1125.51 2\n-00007c40: 3133 342e 3337 2c2d 3131 3430 2e37 3422  134.37,-1140.74\"\n-00007c50: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00007c60: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00007c70: 6564 2220 706f 696e 7473 3d22 3231 3332  ed\" points=\"2132\n-00007c80: 2e31 312c 2d31 3134 332e 3434 2032 3134  .11,-1143.44 214\n-00007c90: 312e 3634 2c2d 3131 3438 2e30 3720 3231  1.64,-1148.07 21\n-00007ca0: 3337 2e30 382c 2d31 3133 382e 3531 2032  37.08,-1138.51 2\n-00007cb0: 3133 322e 3131 2c2d 3131 3433 2e34 3422  132.11,-1143.44\"\n-00007cc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00007cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00007ce0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f  nbnxm&#45;&gt;mo\n-00007cf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00007d00: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n-00007d10: 6964 3d22 6564 6765 3333 2220 636c 6173  id=\"edge33\" clas\n-00007d20: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00007d30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00007d40: 6163 735f 6e62 6e78 6d26 2334 353b 2667  acs_nbnxm&#45;&g\n-00007d50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00007d60: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-00007d70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00007d80: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-00007d90: 6564 2220 643d 224d 3230 3232 2e31 362c  ed\" d=\"M2022.16,\n-00007da0: 2d31 3032 322e 3134 4332 3031 322e 3231  -1022.14C2012.21\n-00007db0: 2c2d 3130 3036 2e33 3620 3139 3933 2e33  ,-1006.36 1993.3\n-00007dc0: 352c 2d39 3738 2e35 3920 3139 3732 2e35  5,-978.59 1972.5\n-00007dd0: 362c 2d39 3539 2e30 3520 3139 3134 2e36  6,-959.05 1914.6\n-00007de0: 352c 2d39 3034 2e36 3220 3138 3834 2e33  5,-904.62 1884.3\n-00007df0: 332c 2d39 3131 2e34 2031 3832 332e 3536  3,-911.4 1823.56\n-00007e00: 2c2d 3836 302e 3138 2031 3830 332e 322c  ,-860.18 1803.2,\n-00007e10: 2d38 3433 2e30 3220 3137 3832 2e36 332c  -843.02 1782.63,\n-00007e20: 2d38 3230 2e35 2031 3736 382e 392c 2d38  -820.5 1768.9,-8\n-00007e30: 3034 2e35 3722 2f3e 0a3c 706f 6c79 676f  04.57\"/>.<polygo\n-00007e40: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-00007e50: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-00007e60: 3d22 3137 3731 2e35 332c 2d38 3032 2e32  =\"1771.53,-802.2\n-00007e70: 3620 3137 3632 2e33 392c 2d37 3936 2e39  6 1762.39,-796.9\n-00007e80: 2031 3736 362e 322c 2d38 3036 2e37 3920   1766.2,-806.79 \n-00007e90: 3137 3731 2e35 332c 2d38 3032 2e32 3622  1771.53,-802.26\"\n-00007ea0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00007eb0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00007ec0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f  nbnxm&#45;&gt;mo\n-00007ed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00007ee0: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c  _gpu_utils -->.<\n-00007ef0: 6720 6964 3d22 6564 6765 3331 2220 636c  g id=\"edge31\" cl\n-00007f00: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00007f10: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00007f20: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n-00007f30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00007f40: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-00007f50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00007f60: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00007f70: 653d 2272 6564 2220 643d 224d 3230 3335  e=\"red\" d=\"M2035\n-00007f80: 2e31 312c 2d31 3034 382e 3636 4332 3033  .11,-1048.66C203\n-00007f90: 362e 3235 2c2d 3130 3536 2e31 3620 3230  6.25,-1056.16 20\n-00007fa0: 3336 2e35 382c 2d31 3036 352e 3938 2032  36.58,-1065.98 2\n-00007fb0: 3033 362e 312c 2d31 3037 342e 3832 222f  036.1,-1074.82\"/\n-00007fc0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00007fd0: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n-00007fe0: 6422 2070 6f69 6e74 733d 2232 3033 322e  d\" points=\"2032.\n-00007ff0: 362c 2d31 3037 342e 3631 2032 3033 352e  6,-1074.61 2035.\n-00008000: 3131 2c2d 3130 3834 2e39 3120 3230 3339  11,-1084.91 2039\n-00008010: 2e35 372c 2d31 3037 352e 3320 3230 3332  .57,-1075.3 2032\n-00008020: 2e36 2c2d 3130 3734 2e36 3122 2f3e 0a3c  .6,-1074.61\"/>.<\n-00008030: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00008040: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n-00008050: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n-00008060: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-00008070: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-00008080: 6765 3332 2220 636c 6173 733d 2265 6467  ge32\" class=\"edg\n-00008090: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000080a0: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n-000080b0: 6e78 6d26 2334 353b 2667 743b 6d6f 6475  nxm&#45;&gt;modu\n-000080c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000080d0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061  dlib</title>.<pa\n-000080e0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000080f0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00008100: 643d 224d 3230 3631 2e34 322c 2d31 3033  d=\"M2061.42,-103\n-00008110: 322e 3237 4332 3134 352e 3231 2c2d 3130  2.27C2145.21,-10\n-00008120: 3235 2e31 3420 3233 3732 2e31 342c 2d39  25.14 2372.14,-9\n-00008130: 3934 2e30 3220 3234 3835 2e35 362c 2d38  94.02 2485.56,-8\n-00008140: 3630 2e31 3820 3235 3039 2e38 312c 2d38  60.18 2509.81,-8\n-00008150: 3331 2e35 3720 3235 3635 2e35 362c 2d36  31.57 2565.56,-6\n-00008160: 3936 2e36 3520 3235 3635 2e35 362c 2d36  96.65 2565.56,-6\n-00008170: 3539 2e31 3420 3235 3635 2e35 362c 2d36  59.14 2565.56,-6\n-00008180: 3539 2e31 3420 3235 3635 2e35 362c 2d36  59.14 2565.56,-6\n-00008190: 3539 2e31 3420 3235 3635 2e35 362c 2d35  59.14 2565.56,-5\n-000081a0: 3934 2e32 3720 3235 3635 2e35 362c 2d34  94.27 2565.56,-4\n-000081b0: 3531 2e36 3820 3234 3339 2e33 312c 2d34  51.68 2439.31,-4\n-000081c0: 3634 2e30 3420 3233 3135 2e35 362c 2d33  64.04 2315.56,-3\n-000081d0: 3933 2e32 3220 3232 3736 2e33 372c 2d33  93.22 2276.37,-3\n-000081e0: 3730 2e37 3920 3232 3630 2e37 392c 2d33  70.79 2260.79,-3\n-000081f0: 3737 2e37 3120 3232 3230 2e35 362c 2d33  77.71 2220.56,-3\n-00008200: 3537 2e32 3220 3231 3535 2e37 2c2d 3332  57.22 2155.7,-32\n-00008210: 342e 3139 2032 3135 312e 3733 2c2d 3239  4.19 2151.73,-29\n-00008220: 322e 3939 2032 3038 332e 3536 2c2d 3236  2.99 2083.56,-26\n-00008230: 372e 3438 2031 3937 372e 3932 2c2d 3232  7.48 1977.92,-22\n-00008240: 372e 3934 2031 3834 332e 3637 2c2d 3232  7.94 1843.67,-22\n-00008250: 302e 3135 2031 3737 382e 3432 2c2d 3231  0.15 1778.42,-21\n-00008260: 382e 3935 222f 3e0a 3c70 6f6c 7967 6f6e  8.95\"/>.<polygon\n-00008270: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00008280: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00008290: 2070 6f69 6e74 733d 2231 3737 382e 3233   points=\"1778.23\n-000082a0: 2c2d 3231 352e 3434 2031 3736 382e 3138  ,-215.44 1768.18\n-000082b0: 2c2d 3231 382e 3820 3137 3738 2e31 332c  ,-218.8 1778.13,\n-000082c0: 2d32 3232 2e34 3420 3137 3738 2e32 332c  -222.44 1778.23,\n-000082d0: 2d32 3135 2e34 3422 2f3e 0a3c 2f67 3e0a  -215.44\"/>.</g>.\n-000082e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000082f0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n-00008300: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00008310: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n-00008320: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n-00008330: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-00008340: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00008350: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-00008360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00008370: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00008380: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n-00008390: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000083a0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-000083b0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-000083c0: 352c 3222 2064 3d22 4d32 3036 322e 3032  5,2\" d=\"M2062.02\n-000083d0: 2c2d 3130 3333 2e34 3343 3230 3938 2e30  ,-1033.43C2098.0\n-000083e0: 382c 2d31 3033 302e 3432 2032 3135 352e  8,-1030.42 2155.\n-000083f0: 3433 2c2d 3130 3230 2032 3139 302e 3536  43,-1020 2190.56\n-00008400: 2c2d 3938 352e 3932 2032 3236 302e 3438  ,-985.92 2260.48\n-00008410: 2c2d 3931 382e 3120 3232 3630 2e30 392c  ,-918.1 2260.09,\n-00008420: 2d38 3633 2e32 3620 3232 3330 2e35 362c  -863.26 2230.56,\n-00008430: 2d37 3730 2e34 3420 3231 3931 2e31 392c  -770.44 2191.19,\n-00008440: 2d36 3436 2e36 3820 3230 3736 2e35 322c  -646.68 2076.52,\n-00008450: 2d35 3333 2e36 3520 3230 3332 2e30 392c  -533.65 2032.09,\n-00008460: 2d34 3839 2e38 3122 2f3e 0a3c 706f 6c79  -489.81\"/>.<poly\n-00008470: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-00008480: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-00008490: 6363 2220 706f 696e 7473 3d22 3230 3334  cc\" points=\"2034\n-000084a0: 2e34 352c 2d34 3837 2e32 3220 3230 3234  .45,-487.22 2024\n-000084b0: 2e38 382c 2d34 3832 2e36 3720 3230 3239  .88,-482.67 2029\n-000084c0: 2e35 332c 2d34 3932 2e31 3920 3230 3334  .53,-492.19 2034\n-000084d0: 2e34 352c 2d34 3837 2e32 3222 2f3e 0a3c  .45,-487.22\"/>.<\n-000084e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000084f0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n-00008500: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n-00008510: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n-00008520: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564  ld -->.<g id=\"ed\n-00008530: 6765 3337 2220 636c 6173 733d 2265 6467  ge37\" class=\"edg\n-00008540: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00008550: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n-00008560: 6e78 6d26 2334 353b 2667 743b 6d6f 6475  nxm&#45;&gt;modu\n-00008570: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-00008580: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061  wald</title>.<pa\n-00008590: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000085a0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-000085b0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000085c0: 3d22 352c 3222 2064 3d22 4d31 3939 372e  =\"5,2\" d=\"M1997.\n-000085d0: 3237 2c2d 3130 3333 2e36 3743 3137 3937  27,-1033.67C1797\n-000085e0: 2e36 362c 2d31 3032 382e 3437 2037 3431  .66,-1028.47 741\n-000085f0: 2e35 362c 2d39 3837 2e38 3720 3734 312e  .56,-987.87 741.\n-00008600: 3536 2c2d 3732 322e 3031 2037 3431 2e35  56,-722.01 741.5\n-00008610: 362c 2d37 3232 2e30 3120 3734 312e 3536  6,-722.01 741.56\n-00008620: 2c2d 3732 322e 3031 2037 3431 2e35 362c  ,-722.01 741.56,\n-00008630: 2d34 3035 2e36 3620 3734 312e 3536 2c2d  -405.66 741.56,-\n-00008640: 3336 392e 3633 2037 3438 2e34 332c 2d33  369.63 748.43,-3\n-00008650: 3537 2e39 3720 3737 312e 3536 2c2d 3333  57.97 771.56,-33\n-00008660: 302e 3335 2037 3835 2e36 312c 2d33 3133  0.35 785.61,-313\n-00008670: 2e35 3720 3830 372e 3033 2c2d 3330 302e  .57 807.03,-300.\n-00008680: 3835 2038 3235 2e32 362c 2d32 3932 2e36  85 825.26,-292.6\n-00008690: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669  7\"/>.<polygon fi\n-000086a0: 6c6c 3d22 2332 6363 6332 3822 2073 7472  ll=\"#2ccc28\" str\n-000086b0: 6f6b 653d 2223 3263 6363 3238 2220 706f  oke=\"#2ccc28\" po\n-000086c0: 696e 7473 3d22 3832 362e 3835 2c2d 3239  ints=\"826.85,-29\n-000086d0: 352e 3820 3833 342e 3732 2c2d 3238 382e  5.8 834.72,-288.\n-000086e0: 3720 3832 342e 3134 2c2d 3238 392e 3335  7 824.14,-289.35\n-000086f0: 2038 3236 2e38 352c 2d32 3935 2e38 222f   826.85,-295.8\"/\n-00008700: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00008710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e  le_src_gromacs_n\n-00008720: 626e 786d 2623 3435 3b26 6774 3b6d 6f64  bnxm&#45;&gt;mod\n-00008730: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00008740: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n-00008750: 3d22 6564 6765 3330 2220 636c 6173 733d  =\"edge30\" class=\n-00008760: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00008770: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00008780: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n-00008790: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000087a0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-000087b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000087c0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-000087d0: 6662 6622 2064 3d22 4d31 3939 372e 3335  fbf\" d=\"M1997.35\n-000087e0: 2c2d 3130 3332 2e39 3343 3139 3231 2e33  ,-1032.93C1921.3\n-000087f0: 322c 2d31 3032 382e 3231 2031 3732 372e  2,-1028.21 1727.\n-00008800: 3131 2c2d 3130 3038 2e30 3620 3135 3934  11,-1008.06 1594\n-00008810: 2e35 362c 2d39 3233 2e30 3520 3135 3733  .56,-923.05 1573\n-00008820: 2e32 392c 2d39 3039 2e34 3120 3135 3535  .29,-909.41 1555\n-00008830: 2e39 382c 2d38 3835 2e38 3620 3135 3435  .98,-885.86 1545\n-00008840: 2e33 312c 2d38 3638 2e37 3222 2f3e 0a3c  .31,-868.72\"/>.<\n-00008850: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-00008860: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-00008870: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-00008880: 3135 3438 2e32 312c 2d38 3636 2e37 3520  1548.21,-866.75 \n-00008890: 3135 3430 2e30 382c 2d38 3539 2e39 3620  1540.08,-859.96 \n-000088a0: 3135 3432 2e32 2c2d 3837 302e 3334 2031  1542.2,-870.34 1\n-000088b0: 3534 382e 3231 2c2d 3836 362e 3735 222f  548.21,-866.75\"/\n-000088c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000088d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n-000088e0: 6973 7465 645f 666f 7263 6573 202d 2d3e  isted_forces -->\n-000088f0: 0a3c 6720 6964 3d22 6e6f 6465 3432 2220  .<g id=\"node42\" \n-00008900: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n-00008910: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00008920: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-00008930: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c67  orces</title>.<g\n-00008940: 2069 643d 2261 5f6e 6f64 6534 3222 3e3c   id=\"a_node42\"><\n-00008950: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n-00008960: 6f75 705f 5f6d 6f64 756c 655f 5f6c 6973  oup__module__lis\n-00008970: 7465 645f 5f66 6f72 6365 732e 7868 746d  ted__forces.xhtm\n-00008980: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-00008990: 2078 6c69 6e6b 3a74 6974 6c65 3d22 6c69   xlink:title=\"li\n-000089a0: 7374 6564 5f66 6f72 6365 7322 3e0a 3c65  sted_forces\">.<e\n-000089b0: 6c6c 6970 7365 2066 696c 6c3d 2223 6535  llipse fill=\"#e5\n-000089c0: 6363 6666 2220 7374 726f 6b65 3d22 626c  ccff\" stroke=\"bl\n-000089d0: 6163 6b22 2063 783d 2231 3931 322e 3536  ack\" cx=\"1912.56\n-000089e0: 2220 6379 3d22 2d39 3732 2e34 3922 2072  \" cy=\"-972.49\" r\n-000089f0: 783d 2235 302e 3832 2220 7279 3d22 3133  x=\"50.82\" ry=\"13\n-00008a00: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00008a10: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00008a20: 2220 783d 2231 3931 322e 3536 2220 793d  \" x=\"1912.56\" y=\n-00008a30: 222d 3936 392e 3939 2220 666f 6e74 2d66  \"-969.99\" font-f\n-00008a40: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-00008a50: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-00008a60: 3022 3e6c 6973 7465 645f 666f 7263 6573  0\">listed_forces\n-00008a70: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n-00008a80: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00008a90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e  le_src_gromacs_n\n-00008aa0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64  bnxm&#45;&gt;mod\n+000074e0: 735f 6d64 7275 6e75 7469 6c69 7479 202d  s_mdrunutility -\n+000074f0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3433  ->.<g id=\"edge43\n+00007500: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00007510: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00007520: 635f 6772 6f6d 6163 735f 6573 7365 6e74  c_gromacs_essent\n+00007530: 6961 6c64 796e 616d 6963 7326 2334 353b  ialdynamics&#45;\n+00007540: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00007550: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00007560: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n+00007570: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00007580: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00007590: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000075a0: 2235 2c32 2220 643d 224d 3130 3933 2e31  \"5,2\" d=\"M1093.1\n+000075b0: 322c 2d32 3934 2e34 3843 3131 3030 2e30  2,-294.48C1100.0\n+000075c0: 332c 2d33 3232 2e39 3920 3131 3136 2e34  3,-322.99 1116.4\n+000075d0: 322c 2d33 3934 2e38 3520 3131 3232 2c2d  2,-394.85 1122,-\n+000075e0: 3435 362e 3039 2031 3132 322c 2d34 3536  456.09 1122,-456\n+000075f0: 2e30 3920 3131 3232 2c2d 3534 352e 3833  .09 1122,-545.83\n+00007600: 2031 3132 322c 2d35 3435 2e38 3320 3131   1122,-545.83 11\n+00007610: 3631 2e30 372c 2d36 3139 2e38 3520 3132  61.07,-619.85 12\n+00007620: 3633 2e32 352c 2d36 3434 2e36 3520 3133  63.25,-644.65 13\n+00007630: 3237 2e35 362c 2d36 3532 2e39 3522 2f3e  27.56,-652.95\"/>\n+00007640: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00007650: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00007660: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00007670: 3d22 3133 3237 2e31 392c 2d36 3536 2e34  =\"1327.19,-656.4\n+00007680: 3320 3133 3337 2e35 342c 2d36 3534 2e31  3 1337.54,-654.1\n+00007690: 3520 3133 3238 2e30 332c 2d36 3439 2e34  5 1328.03,-649.4\n+000076a0: 3820 3133 3237 2e31 392c 2d36 3536 2e34  8 1327.19,-656.4\n+000076b0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n+000076c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000076d0: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n+000076e0: 6963 7326 2334 353b 2667 743b 6d6f 6475  ics&#45;&gt;modu\n+000076f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00007700: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+00007710: 6564 6765 3432 2220 636c 6173 733d 2265  edge42\" class=\"e\n+00007720: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00007730: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00007740: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n+00007750: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00007760: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00007770: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+00007780: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00007790: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+000077a0: 224d 3131 3335 2e36 362c 2d32 3931 2e30  \"M1135.66,-291.0\n+000077b0: 3843 3131 3839 2e35 362c 2d33 3032 2e37  8C1189.56,-302.7\n+000077c0: 2031 3237 372e 3734 2c2d 3332 322e 3539   1277.74,-322.59\n+000077d0: 2031 3332 362e 3031 2c2d 3333 342e 3031   1326.01,-334.01\n+000077e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000077f0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00007800: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+00007810: 6e74 733d 2231 3332 352e 3432 2c2d 3333  nts=\"1325.42,-33\n+00007820: 372e 3437 2031 3333 352e 3935 2c2d 3333  7.47 1335.95,-33\n+00007830: 362e 3339 2031 3332 372e 3034 2c2d 3333  6.39 1327.04,-33\n+00007840: 302e 3636 2031 3332 352e 3432 2c2d 3333  0.66 1325.42,-33\n+00007850: 372e 3437 222f 3e0a 3c2f 673e 0a3c 212d  7.47\"/>.</g>.<!-\n+00007860: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00007870: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+00007880: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d  namics&#45;&gt;m\n+00007890: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000078a0: 735f 636f 6d6d 616e 646c 696e 6520 2d2d  s_commandline --\n+000078b0: 3e0a 3c67 2069 643d 2265 6467 6533 3822  >.<g id=\"edge38\"\n+000078c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000078d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000078e0: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n+000078f0: 616c 6479 6e61 6d69 6373 2623 3435 3b26  aldynamics&#45;&\n+00007900: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00007910: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+00007920: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n+00007930: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00007940: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n+00007950: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00007960: 2220 643d 224d 3131 3131 2e30 312c 2d32  \" d=\"M1111.01,-2\n+00007970: 3933 2e39 3243 3131 3233 2e37 312c 2d33  93.92C1123.71,-3\n+00007980: 3032 2e33 3720 3131 3338 2e39 352c 2d33  02.37 1138.95,-3\n+00007990: 3134 2e39 3220 3131 3437 2c2d 3333 302e  14.92 1147,-330.\n+000079a0: 3335 2031 3230 342e 3235 2c2d 3434 302e  35 1204.25,-440.\n+000079b0: 3131 2031 3038 362e 3738 2c2d 3439 352e  11 1086.78,-495.\n+000079c0: 3535 2031 3133 372c 2d36 3038 2e37 2031  55 1137,-608.7 1\n+000079d0: 3135 362e 3638 2c2d 3635 332e 3035 2031  156.68,-653.05 1\n+000079e0: 3330 392e 3531 2c2d 3737 392e 3833 2031  309.51,-779.83 1\n+000079f0: 3334 372c 2d37 3937 2e33 3120 3133 3730  347,-797.31 1370\n+00007a00: 2e38 352c 2d38 3038 2e34 3320 3135 3239  .85,-808.43 1529\n+00007a10: 2e31 332c 2d38 3238 2e36 3820 3136 3135  .13,-828.68 1615\n+00007a20: 2e36 392c 2d38 3339 2e31 3222 2f3e 0a3c  .69,-839.12\"/>.<\n+00007a30: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n+00007a40: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n+00007a50: 636b 2220 706f 696e 7473 3d22 3136 3135  ck\" points=\"1615\n+00007a60: 2e35 332c 2d38 3432 2e36 3320 3136 3235  .53,-842.63 1625\n+00007a70: 2e38 372c 2d38 3430 2e33 3520 3136 3136  .87,-840.35 1616\n+00007a80: 2e33 362c 2d38 3335 2e36 3820 3136 3135  .36,-835.68 1615\n+00007a90: 2e35 332c 2d38 3432 2e36 3322 2f3e 0a3c  .53,-842.63\"/>.<\n+00007aa0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00007ab0: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n+00007ac0: 6e74 6961 6c64 796e 616d 6963 7326 2334  ntialdynamics&#4\n+00007ad0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00007ae0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20  _gromacs_fileio \n+00007af0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534  -->.<g id=\"edge4\n+00007b00: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00007b10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00007b20: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n+00007b30: 7469 616c 6479 6e61 6d69 6373 2623 3435  tialdynamics&#45\n+00007b40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00007b50: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n+00007b60: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00007b70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00007b80: 2223 6266 6266 6266 2220 643d 224d 3130  \"#bfbfbf\" d=\"M10\n+00007b90: 3834 2e38 372c 2d32 3934 2e34 3643 3130  84.87,-294.46C10\n+00007ba0: 3638 2e32 352c 2d33 3336 2e32 3520 3130  68.25,-336.25 10\n+00007bb0: 3137 2c2d 3437 342e 3831 2031 3031 372c  17,-474.81 1017,\n+00007bc0: 2d35 3934 2e32 3720 3130 3137 2c2d 3635  -594.27 1017,-65\n+00007bd0: 392e 3134 2031 3031 372c 2d36 3539 2e31  9.14 1017,-659.1\n+00007be0: 3420 3130 3137 2c2d 3635 392e 3134 2031  4 1017,-659.14 1\n+00007bf0: 3031 372c 2d37 3238 2e33 3220 3132 3534  017,-728.32 1254\n+00007c00: 2e36 382c 2d37 3636 2e33 3620 3133 3436  .68,-766.36 1346\n+00007c10: 2e39 372c 2d37 3738 2e35 3222 2f3e 0a3c  .97,-778.52\"/>.<\n+00007c20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00007c30: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00007c40: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00007c50: 3133 3436 2e36 312c 2d37 3832 2031 3335  1346.61,-782 135\n+00007c60: 362e 3937 2c2d 3737 392e 3831 2031 3334  6.97,-779.81 134\n+00007c70: 372e 352c 2d37 3735 2e30 3620 3133 3436  7.5,-775.06 1346\n+00007c80: 2e36 312c 2d37 3832 222f 3e0a 3c2f 673e  .61,-782\"/>.</g>\n+00007c90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00007ca0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67  _gromacs_topolog\n+00007cb0: 7920 2d2d 3e0a 3c67 2069 643d 226e 6f64  y -->.<g id=\"nod\n+00007cc0: 6531 3022 2063 6c61 7373 3d22 6e6f 6465  e10\" class=\"node\n+00007cd0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00007ce0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70  _src_gromacs_top\n+00007cf0: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c65  ology</title>.<e\n+00007d00: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n+00007d10: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n+00007d20: 6163 6b22 2063 783d 2231 3732 3222 2063  ack\" cx=\"1722\" c\n+00007d30: 793d 222d 3131 3631 2e31 2220 7278 3d22  y=\"-1161.1\" rx=\"\n+00007d40: 3337 2e34 3522 2072 793d 2231 332e 3337  37.45\" ry=\"13.37\n+00007d50: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+00007d60: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+00007d70: 3d22 3137 3232 2220 793d 222d 3131 3538  =\"1722\" y=\"-1158\n+00007d80: 2e36 2220 666f 6e74 2d66 616d 696c 793d  .6\" font-family=\n+00007d90: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00007da0: 7369 7a65 3d22 3130 2e30 3022 3e74 6f70  size=\"10.00\">top\n+00007db0: 6f6c 6f67 793c 2f74 6578 743e 0a3c 2f67  ology</text>.</g\n+00007dc0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00007dd0: 635f 6772 6f6d 6163 735f 746f 706f 6c6f  c_gromacs_topolo\n+00007de0: 6779 2623 3435 3b26 6774 3b6d 6f64 756c  gy&#45;&gt;modul\n+00007df0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00007e00: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+00007e10: 2265 6467 6534 3522 2063 6c61 7373 3d22  \"edge45\" class=\"\n+00007e20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00007e30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007e40: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667  _topology&#45;&g\n+00007e50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00007e60: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n+00007e70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00007e80: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00007e90: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+00007ea0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00007eb0: 3d22 4d31 3638 382e 352c 2d31 3135 342e  =\"M1688.5,-1154.\n+00007ec0: 3931 4331 3637 302e 3834 2c2d 3131 3532  91C1670.84,-1152\n+00007ed0: 2e33 3520 3136 3438 2e37 392c 2d31 3134  .35 1648.79,-114\n+00007ee0: 392e 3435 2031 3632 392c 2d31 3134 372e  9.45 1629,-1147.\n+00007ef0: 3636 2031 3238 392e 3536 2c2d 3131 3137  66 1289.56,-1117\n+00007f00: 2e30 3520 3132 3031 2e38 382c 2d31 3134  .05 1201.88,-114\n+00007f10: 372e 3937 2038 3633 2c2d 3131 3131 2e36  7.97 863,-1111.6\n+00007f20: 3620 3835 322e 372c 2d31 3131 302e 3536  6 852.7,-1110.56\n+00007f30: 2038 3431 2e36 362c 2d31 3130 382e 3934   841.66,-1108.94\n+00007f40: 2038 3331 2e33 342c 2d31 3130 372e 3233   831.34,-1107.23\n+00007f50: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00007f60: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00007f70: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00007f80: 6e74 733d 2238 3331 2e37 352c 2d31 3130  nts=\"831.75,-110\n+00007f90: 332e 3735 2038 3231 2e33 2c2d 3131 3035  3.75 821.3,-1105\n+00007fa0: 2e35 3220 3833 302e 3537 2c2d 3131 3130  .52 830.57,-1110\n+00007fb0: 2e36 3520 3833 312e 3735 2c2d 3131 3033  .65 831.75,-1103\n+00007fc0: 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .75\"/>.</g>.<!--\n+00007fd0: 206d 6f64 756c 655f 7372 635f 7465 7374   module_src_test\n+00007fe0: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+00007ff0: 226e 6f64 6534 3922 2063 6c61 7373 3d22  \"node49\" class=\"\n+00008000: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00008010: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+00008020: 6c73 3c2f 7469 746c 653e 0a3c 6720 6964  ls</title>.<g id\n+00008030: 3d22 615f 6e6f 6465 3439 223e 3c61 2078  =\"a_node49\"><a x\n+00008040: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+00008050: 5f5f 6d6f 6475 6c65 5f5f 7465 7374 7574  __module__testut\n+00008060: 696c 732e 7868 746d 6c22 2074 6172 6765  ils.xhtml\" targe\n+00008070: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n+00008080: 6974 6c65 3d22 7465 7374 7574 696c 7322  itle=\"testutils\"\n+00008090: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+000080a0: 2223 6666 6534 6363 2220 7374 726f 6b65  \"#ffe4cc\" stroke\n+000080b0: 3d22 626c 6163 6b22 2063 783d 2232 3431  =\"black\" cx=\"241\n+000080c0: 3622 2063 793d 222d 3130 3938 2e32 3322  6\" cy=\"-1098.23\"\n+000080d0: 2072 783d 2233 362e 3132 2220 7279 3d22   rx=\"36.12\" ry=\"\n+000080e0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+000080f0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+00008100: 6c65 2220 783d 2232 3431 3622 2079 3d22  le\" x=\"2416\" y=\"\n+00008110: 2d31 3039 352e 3733 2220 666f 6e74 2d66  -1095.73\" font-f\n+00008120: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00008130: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00008140: 3022 3e74 6573 7475 7469 6c73 3c2f 7465  0\">testutils</te\n+00008150: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+00008160: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00008170: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c  rc_gromacs_topol\n+00008180: 6f67 7926 2334 353b 2667 743b 6d6f 6475  ogy&#45;&gt;modu\n+00008190: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n+000081a0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+000081b0: 3436 2220 636c 6173 733d 2265 6467 6522  46\" class=\"edge\"\n+000081c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000081d0: 7372 635f 6772 6f6d 6163 735f 746f 706f  src_gromacs_topo\n+000081e0: 6c6f 6779 2623 3435 3b26 6774 3b6d 6f64  logy&#45;&gt;mod\n+000081f0: 756c 655f 7372 635f 7465 7374 7574 696c  ule_src_testutil\n+00008200: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00008210: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00008220: 6b65 3d22 7265 6422 2064 3d22 4d31 3735  ke=\"red\" d=\"M175\n+00008230: 392e 3633 2c2d 3131 3630 2e32 3843 3138  9.63,-1160.28C18\n+00008240: 3630 2e34 352c 2d31 3136 302e 3135 2032  60.45,-1160.15 2\n+00008250: 3134 342e 3734 2c2d 3131 3535 2e35 3820  144.74,-1155.58 \n+00008260: 3233 3736 2c2d 3131 3131 2e36 3620 3233  2376,-1111.66 23\n+00008270: 3737 2e36 372c 2d31 3131 312e 3334 2032  77.67,-1111.34 2\n+00008280: 3337 392e 3337 2c2d 3131 3130 2e39 3820  379.37,-1110.98 \n+00008290: 3233 3831 2e30 382c 2d31 3131 302e 3538  2381.08,-1110.58\n+000082a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000082b0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+000082c0: 7265 6422 2070 6f69 6e74 733d 2232 3338  red\" points=\"238\n+000082d0: 322e 3036 2c2d 3131 3133 2e39 3420 3233  2.06,-1113.94 23\n+000082e0: 3930 2e38 332c 2d31 3130 3820 3233 3830  90.83,-1108 2380\n+000082f0: 2e32 372c 2d31 3130 372e 3138 2032 3338  .27,-1107.18 238\n+00008300: 322e 3036 2c2d 3131 3133 2e39 3422 2f3e  2.06,-1113.94\"/>\n+00008310: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00008320: 655f 7372 635f 6772 6f6d 6163 735f 7062  e_src_gromacs_pb\n+00008330: 6375 7469 6c20 2d2d 3e0a 3c67 2069 643d  cutil -->.<g id=\n+00008340: 226e 6f64 6531 3122 2063 6c61 7373 3d22  \"node11\" class=\"\n+00008350: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00008360: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008370: 5f70 6263 7574 696c 3c2f 7469 746c 653e  _pbcutil</title>\n+00008380: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00008390: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+000083a0: 2262 6c61 636b 2220 6378 3d22 3930 3422  \"black\" cx=\"904\"\n+000083b0: 2063 793d 222d 3130 3938 2e32 3322 2072   cy=\"-1098.23\" r\n+000083c0: 783d 2233 312e 3634 2220 7279 3d22 3133  x=\"31.64\" ry=\"13\n+000083d0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+000083e0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+000083f0: 2220 783d 2239 3034 2220 793d 222d 3130  \" x=\"904\" y=\"-10\n+00008400: 3935 2e37 3322 2066 6f6e 742d 6661 6d69  95.73\" font-fami\n+00008410: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+00008420: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+00008430: 7062 6375 7469 6c3c 2f74 6578 743e 0a3c  pbcutil</text>.<\n+00008440: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00008450: 7372 635f 6772 6f6d 6163 735f 7062 6375  src_gromacs_pbcu\n+00008460: 7469 6c26 2334 353b 2667 743b 6d6f 6475  til&#45;&gt;modu\n+00008470: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00008480: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720  pu_utils -->.<g \n+00008490: 6964 3d22 6564 6765 3437 2220 636c 6173  id=\"edge47\" clas\n+000084a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000084b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000084c0: 6163 735f 7062 6375 7469 6c26 2334 353b  acs_pbcutil&#45;\n+000084d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000084e0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n+000084f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00008500: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00008510: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00008520: 3930 342c 2d31 3038 342e 3631 4339 3034  904,-1084.61C904\n+00008530: 2c2d 3130 3737 2e32 3720 3930 342c 2d31  ,-1077.27 904,-1\n+00008540: 3036 372e 3738 2039 3034 2c2d 3130 3539  067.78 904,-1059\n+00008550: 2e31 3722 2f3e 0a3c 706f 6c79 676f 6e20  .17\"/>.<polygon \n+00008560: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00008570: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00008580: 706f 696e 7473 3d22 3930 372e 352c 2d31  points=\"907.5,-1\n+00008590: 3035 382e 3935 2039 3034 2c2d 3130 3438  058.95 904,-1048\n+000085a0: 2e39 3520 3930 302e 352c 2d31 3035 382e  .95 900.5,-1058.\n+000085b0: 3935 2039 3037 2e35 2c2d 3130 3538 2e39  95 907.5,-1058.9\n+000085c0: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+000085d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000085e0: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+000085f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008600: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n+00008610: 6964 3d22 6564 6765 3534 2220 636c 6173  id=\"edge54\" clas\n+00008620: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00008630: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00008640: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n+00008650: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00008660: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n+00008670: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00008680: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00008690: 6266 6266 2220 643d 224d 3133 3732 2e35  bfbf\" d=\"M1372.5\n+000086a0: 342c 2d31 3535 2e37 3543 3132 3139 2e31  4,-155.75C1219.1\n+000086b0: 352c 2d31 3533 2e38 3420 3436 382e 332c  5,-153.84 468.3,\n+000086c0: 2d31 3530 2e36 3420 3237 362c 2d32 3637  -150.64 276,-267\n+000086d0: 2e34 3820 3234 362e 3138 2c2d 3238 352e  .48 246.18,-285.\n+000086e0: 3620 3234 332e 3639 2c2d 3239 382e 3731  6 243.69,-298.71\n+000086f0: 2032 3239 2c2d 3333 302e 3335 2032 3032   229,-330.35 202\n+00008700: 2e34 352c 2d33 3837 2e35 3220 3139 372c  .45,-387.52 197,\n+00008710: 2d34 3035 2e34 3920 3139 372c 2d34 3638  -405.49 197,-468\n+00008720: 2e35 3320 3139 372c 2d38 3437 2e37 3520  .53 197,-847.75 \n+00008730: 3139 372c 2d38 3437 2e37 3520 3139 372c  197,-847.75 197,\n+00008740: 2d38 3437 2e37 3520 3139 372c 2d39 3733  -847.75 197,-973\n+00008750: 2e34 3720 3238 322e 3235 2c2d 3939 352e  .47 282.25,-995.\n+00008760: 3234 2033 3936 2c2d 3130 3438 2e37 3920  24 396,-1048.79 \n+00008770: 3435 362e 3236 2c2d 3130 3737 2e31 3620  456.26,-1077.16 \n+00008780: 3635 302e 3438 2c2d 3130 3930 2e33 3320  650.48,-1090.33 \n+00008790: 3734 312e 3332 2c2d 3130 3935 2e30 3622  741.32,-1095.06\"\n+000087a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000087b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+000087c0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+000087d0: 7473 3d22 3734 312e 3139 2c2d 3130 3938  ts=\"741.19,-1098\n+000087e0: 2e35 3620 3735 312e 3335 2c2d 3130 3935  .56 751.35,-1095\n+000087f0: 2e35 3720 3734 312e 3534 2c2d 3130 3931  .57 741.54,-1091\n+00008800: 2e35 3720 3734 312e 3139 2c2d 3130 3938  .57 741.19,-1098\n+00008810: 2e35 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .56\"/>.</g>.<!--\n+00008820: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00008830: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n+00008840: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00008850: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n+00008860: 2069 643d 2265 6467 6535 3122 2063 6c61   id=\"edge51\" cla\n+00008870: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00008880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00008890: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n+000088a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000088b0: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+000088c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000088d0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+000088e0: 6266 6266 2220 643d 224d 3133 3733 2e38  bfbf\" d=\"M1373.8\n+000088f0: 2c2d 3135 382e 3636 4331 3330 302e 3232  ,-158.66C1300.22\n+00008900: 2c2d 3136 352e 3636 2031 3038 352e 3337  ,-165.66 1085.37\n+00008910: 2c2d 3138 362e 3232 2039 3037 2c2d 3230  ,-186.22 907,-20\n+00008920: 342e 3631 2037 3936 2e32 382c 2d32 3136  4.61 796.28,-216\n+00008930: 2e30 3220 3736 382e 3639 2c2d 3231 392e  .02 768.69,-219.\n+00008940: 3735 2036 3538 2c2d 3233 312e 3438 2035  75 658,-231.48 5\n+00008950: 3831 2e31 332c 2d32 3339 2e36 3320 3337  81.13,-239.63 37\n+00008960: 352e 3037 2c2d 3232 322e 3738 2033 3132  5.07,-222.78 312\n+00008970: 2c2d 3236 372e 3438 2032 3331 2e33 372c  ,-267.48 231.37,\n+00008980: 2d33 3234 2e36 3220 3231 372c 2d33 3639  -324.62 217,-369\n+00008990: 2e37 2032 3137 2c2d 3436 382e 3533 2032  .7 217,-468.53 2\n+000089a0: 3137 2c2d 3533 332e 3420 3231 372c 2d35  17,-533.4 217,-5\n+000089b0: 3333 2e34 2032 3137 2c2d 3533 332e 3420  33.4 217,-533.4 \n+000089c0: 3231 372c 2d37 3037 2e37 3420 3237 312e  217,-707.74 271.\n+000089d0: 3637 2c2d 3739 362e 3538 2034 3334 2c2d  67,-796.58 434,-\n+000089e0: 3836 302e 3138 2034 3938 2e33 2c2d 3838  860.18 498.3,-88\n+000089f0: 352e 3338 2037 3032 2e30 352c 2d39 3030  5.38 702.05,-900\n+00008a00: 2e36 3120 3739 302e 3433 2c2d 3930 362e  .61 790.43,-906.\n+00008a10: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066  19\"/>.<polygon f\n+00008a20: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00008a30: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00008a40: 6f69 6e74 733d 2237 3930 2e34 322c 2d39  oints=\"790.42,-9\n+00008a50: 3039 2e37 2038 3030 2e36 322c 2d39 3036  09.7 800.62,-906\n+00008a60: 2e38 3220 3739 302e 3836 2c2d 3930 322e  .82 790.86,-902.\n+00008a70: 3731 2037 3930 2e34 322c 2d39 3039 2e37  71 790.42,-909.7\n+00008a80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00008a90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008aa0: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64  _imd&#45;&gt;mod\n 00008ab0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00008ac0: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d  listed_forces --\n-00008ad0: 3e0a 3c67 2069 643d 2265 6467 6533 3622  >.<g id=\"edge36\"\n-00008ae0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00008af0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00008b00: 5f67 726f 6d61 6373 5f6e 626e 786d 2623  _gromacs_nbnxm&#\n-00008b10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00008b20: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n-00008b30: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n-00008b40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00008b50: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00008b60: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00008b70: 7261 793d 2235 2c32 2220 643d 224d 3230  ray=\"5,2\" d=\"M20\n-00008b80: 3037 2e33 342c 2d31 3032 352e 3337 4331  07.34,-1025.37C1\n-00008b90: 3938 372e 3637 2c2d 3130 3136 2e31 3420  987.67,-1016.14 \n-00008ba0: 3139 3539 2e32 342c 2d31 3030 312e 3534  1959.24,-1001.54\n-00008bb0: 2031 3933 382e 3535 2c2d 3939 302e 3138   1938.55,-990.18\n-00008bc0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00008bd0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00008be0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00008bf0: 6e74 733d 2231 3934 302e 312c 2d39 3837  nts=\"1940.1,-987\n-00008c00: 2e30 3320 3139 3239 2e36 362c 2d39 3835  .03 1929.66,-985\n-00008c10: 2e32 3220 3139 3336 2e36 392c 2d39 3933  .22 1936.69,-993\n-00008c20: 2e31 3520 3139 3430 2e31 2c2d 3938 372e  .15 1940.1,-987.\n-00008c30: 3033 222f 3e0a 3c2f 673e 0a3c 212d 2d20  03\"/>.</g>.<!-- \n-00008c40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00008c50: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964  cs_imd -->.<g id\n-00008c60: 3d22 6e6f 6465 3132 2220 636c 6173 733d  =\"node12\" class=\n-00008c70: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-00008c80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00008c90: 735f 696d 643c 2f74 6974 6c65 3e0a 3c67  s_imd</title>.<g\n-00008ca0: 2069 643d 2261 5f6e 6f64 6531 3222 3e3c   id=\"a_node12\"><\n-00008cb0: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n-00008cc0: 6f75 705f 5f6d 6f64 756c 655f 5f69 6d64  oup__module__imd\n-00008cd0: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-00008ce0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-00008cf0: 653d 2269 6d64 223e 0a3c 656c 6c69 7073  e=\"imd\">.<ellips\n-00008d00: 6520 6669 6c6c 3d22 2365 3563 6366 6622  e fill=\"#e5ccff\"\n-00008d10: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00008d20: 6378 3d22 3233 3934 2e35 3622 2063 793d  cx=\"2394.56\" cy=\n-00008d30: 222d 3135 352e 3138 2220 7278 3d22 3237  \"-155.18\" rx=\"27\n-00008d40: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-00008d50: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00008d60: 3d22 6d69 6464 6c65 2220 783d 2232 3339  =\"middle\" x=\"239\n-00008d70: 342e 3536 2220 793d 222d 3135 322e 3638  4.56\" y=\"-152.68\n-00008d80: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-00008d90: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-00008da0: 7a65 3d22 3130 2e30 3022 3e69 6d64 3c2f  ze=\"10.00\">imd</\n-00008db0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a  text>.</a>.</g>.\n-00008dc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00008dd0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00008de0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00008df0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-00008e00: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n-00008e10: 6467 6534 3422 2063 6c61 7373 3d22 6564  dge44\" class=\"ed\n-00008e20: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00008e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n-00008e40: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c  md&#45;&gt;modul\n-00008e50: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00008e60: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n-00008e70: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00008e80: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00008e90: 2064 3d22 4d32 3430 362e 3831 2c2d 3136   d=\"M2406.81,-16\n-00008ea0: 372e 3539 4332 3431 352e 3538 2c2d 3137  7.59C2415.58,-17\n-00008eb0: 362e 3636 2032 3432 362e 3638 2c2d 3139  6.66 2426.68,-19\n-00008ec0: 302e 3138 2032 3433 312e 3536 2c2d 3230  0.18 2431.56,-20\n-00008ed0: 342e 3631 2032 3433 352e 3339 2c2d 3231  4.61 2435.39,-21\n-00008ee0: 352e 3932 2032 3433 322e 3332 2c2d 3231  5.92 2432.32,-21\n-00008ef0: 392e 3536 2032 3433 312e 3536 2c2d 3233  9.56 2431.56,-23\n-00008f00: 312e 3438 2032 3432 322e 352c 2d33 3734  1.48 2422.5,-374\n-00008f10: 2e35 3220 3234 3534 2e30 362c 2d34 3338  .52 2454.06,-438\n-00008f20: 2e30 3620 3233 3539 2e35 362c 2d35 3435  .06 2359.56,-545\n-00008f30: 2e38 3320 3232 3634 2e32 352c 2d36 3534  .83 2264.25,-654\n-00008f40: 2e35 3220 3232 3331 2e37 362c 2d36 3838  .52 2231.76,-688\n-00008f50: 2e39 2032 3039 342e 3536 2c2d 3733 342e  .9 2094.56,-734.\n-00008f60: 3434 2031 3939 332e 3534 2c2d 3736 372e  44 1993.54,-767.\n-00008f70: 3937 2031 3836 382e 3138 2c2d 3737 382e  97 1868.18,-778.\n-00008f80: 3239 2031 3830 302e 3831 2c2d 3738 312e  29 1800.81,-781.\n-00008f90: 3437 222f 3e0a 3c70 6f6c 7967 6f6e 2066  47\"/>.<polygon f\n-00008fa0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00008fb0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00008fc0: 6f69 6e74 733d 2231 3830 302e 3334 2c2d  oints=\"1800.34,-\n-00008fd0: 3737 372e 3938 2031 3739 302e 3531 2c2d  777.98 1790.51,-\n-00008fe0: 3738 312e 3932 2031 3830 302e 3635 2c2d  781.92 1800.65,-\n-00008ff0: 3738 342e 3938 2031 3830 302e 3334 2c2d  784.98 1800.34,-\n-00009000: 3737 372e 3938 222f 3e0a 3c2f 673e 0a3c  777.98\"/>.</g>.<\n-00009010: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00009020: 726f 6d61 6373 5f69 6d64 2623 3435 3b26  romacs_imd&#45;&\n-00009030: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00009040: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-00009050: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n-00009060: 6533 3822 2063 6c61 7373 3d22 6564 6765  e38\" class=\"edge\n-00009070: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00009080: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00009090: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000090a0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n-000090b0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a  andline</title>.\n-000090c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000090d0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-000090e0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-000090f0: 793d 2235 2c32 2220 643d 224d 3233 3639  y=\"5,2\" d=\"M2369\n-00009100: 2e34 332c 2d31 3439 2e38 3443 3233 3532  .43,-149.84C2352\n-00009110: 2e33 322c 2d31 3437 2e30 3620 3233 3239  .32,-147.06 2329\n-00009120: 2e31 342c 2d31 3433 2e36 3320 3233 3038  .14,-143.63 2308\n-00009130: 2e35 362c 2d31 3431 2e37 3420 3139 3039  .56,-141.74 1909\n-00009140: 2e39 332c 2d31 3035 2e30 3520 3138 3037  .93,-105.05 1807\n-00009150: 2e36 352c 2d31 3337 2e30 3820 3134 3038  .65,-137.08 1408\n-00009160: 2e35 362c 2d31 3035 2e37 3420 3133 3931  .56,-105.74 1391\n-00009170: 2e38 392c 2d31 3034 2e34 3320 3133 3733  .89,-104.43 1373\n-00009180: 2e37 392c 2d31 3032 2e35 2031 3335 372e  .79,-102.5 1357.\n-00009190: 3335 2c2d 3130 302e 3535 222f 3e0a 3c70  35,-100.55\"/>.<p\n-000091a0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n-000091b0: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n-000091c0: 6b22 2070 6f69 6e74 733d 2231 3335 372e  k\" points=\"1357.\n-000091d0: 3731 2c2d 3937 2e30 3620 3133 3437 2e33  71,-97.06 1347.3\n-000091e0: 362c 2d39 392e 3333 2031 3335 362e 3836  6,-99.33 1356.86\n-000091f0: 2c2d 3130 342e 3031 2031 3335 372e 3731  ,-104.01 1357.71\n-00009200: 2c2d 3937 2e30 3622 2f3e 0a3c 2f67 3e0a  ,-97.06\"/>.</g>.\n-00009210: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00009220: 6772 6f6d 6163 735f 696d 6426 2334 353b  gromacs_imd&#45;\n-00009230: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00009240: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-00009250: 3e0a 3c67 2069 643d 2265 6467 6534 3022  >.<g id=\"edge40\"\n-00009260: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00009270: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00009280: 5f67 726f 6d61 6373 5f69 6d64 2623 3435  _gromacs_imd&#45\n-00009290: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000092a0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-000092b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000092c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000092d0: 2223 6266 6266 6266 2220 643d 224d 3233  \"#bfbfbf\" d=\"M23\n-000092e0: 3837 2e39 2c2d 3136 382e 3337 4332 3338  87.9,-168.37C238\n-000092f0: 322e 3638 2c2d 3137 382e 3038 2032 3337  2.68,-178.08 237\n-00009300: 352e 3337 2c2d 3139 322e 3038 2032 3336  5.37,-192.08 236\n-00009310: 392e 3536 2c2d 3230 342e 3631 2032 3239  9.56,-204.61 229\n-00009320: 322e 3836 2c2d 3337 302e 3039 2032 3330  2.86,-370.09 230\n-00009330: 342e 3038 2c2d 3436 332e 3034 2032 3134  4.08,-463.04 214\n-00009340: 312e 3536 2c2d 3534 352e 3833 2032 3036  1.56,-545.83 206\n-00009350: 352e 3331 2c2d 3538 342e 3638 2032 3034  5.31,-584.68 204\n-00009360: 332e 3039 2c2d 3539 302e 3120 3139 3539  3.09,-590.1 1959\n-00009370: 2e35 362c 2d36 3038 2e37 2031 3830 362e  .56,-608.7 1806.\n-00009380: 3135 2c2d 3634 322e 3836 2031 3631 382e  15,-642.86 1618.\n-00009390: 3235 2c2d 3635 332e 3133 2031 3533 392e  25,-653.13 1539.\n-000093a0: 3736 2c2d 3635 362e 3035 222f 3e0a 3c70  76,-656.05\"/>.<p\n-000093b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-000093c0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000093d0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-000093e0: 3533 392e 332c 2d36 3532 2e35 3620 3135  539.3,-652.56 15\n-000093f0: 3239 2e34 332c 2d36 3536 2e34 3120 3135  29.43,-656.41 15\n-00009400: 3339 2e35 352c 2d36 3539 2e35 3620 3135  39.55,-659.56 15\n-00009410: 3339 2e33 2c2d 3635 322e 3536 222f 3e0a  39.3,-652.56\"/>.\n-00009420: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00009430: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00009440: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00009450: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-00009460: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n-00009470: 6534 3222 2063 6c61 7373 3d22 6564 6765  e42\" class=\"edge\n-00009480: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00009490: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-000094a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000094b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-000094c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-000094d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000094e0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-000094f0: 4d32 3337 302e 3435 2c2d 3136 312e 3239  M2370.45,-161.29\n-00009500: 4332 3335 352e 3233 2c2d 3136 332e 3733  C2355.23,-163.73\n-00009510: 2032 3333 352e 3339 2c2d 3136 362e 3536   2335.39,-166.56\n-00009520: 2032 3331 372e 3536 2c2d 3136 382e 3631   2317.56,-168.61\n-00009530: 2032 3131 342e 3834 2c2d 3139 312e 3837   2114.84,-191.87\n-00009540: 2031 3837 302e 3239 2c2d 3230 392e 3034   1870.29,-209.04\n-00009550: 2031 3737 372e 3533 2c2d 3231 342e 3837   1777.53,-214.87\n-00009560: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00009570: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00009580: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-00009590: 6e74 733d 2231 3737 372e 3236 2c2d 3231  nts=\"1777.26,-21\n-000095a0: 312e 3338 2031 3736 372e 352c 2d32 3135  1.38 1767.5,-215\n-000095b0: 2e35 2031 3737 372e 3639 2c2d 3231 382e  .5 1777.69,-218.\n-000095c0: 3337 2031 3737 372e 3236 2c2d 3231 312e  37 1777.26,-211.\n-000095d0: 3338 222f 3e0a 3c2f 673e 0a3c 212d 2d20  38\"/>.</g>.<!-- \n-000095e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000095f0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n-00009600: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00009610: 735f 646f 6d64 6563 202d 2d3e 0a3c 6720  s_domdec -->.<g \n-00009620: 6964 3d22 6564 6765 3339 2220 636c 6173  id=\"edge39\" clas\n-00009630: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00009640: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00009650: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n-00009660: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00009670: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65  cs_domdec</title\n-00009680: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00009690: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-000096a0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-000096b0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-000096c0: 3234 3130 2e31 342c 2d31 3636 2e34 3343  2410.14,-166.43C\n-000096d0: 3234 3235 2e35 332c 2d31 3830 2e39 3420  2425.53,-180.94 \n-000096e0: 3234 3434 2e33 342c 2d32 3038 2e32 3920  2444.34,-208.29 \n-000096f0: 3234 3334 2e35 362c 2d32 3331 2e34 3820  2434.56,-231.48 \n-00009700: 3234 3033 2e34 352c 2d33 3035 2e32 3520  2403.45,-305.25 \n-00009710: 3233 3732 2e37 382c 2d33 3133 2e37 3320  2372.78,-313.73 \n-00009720: 3233 3035 2e35 362c 2d33 3537 2e32 3220  2305.56,-357.22 \n-00009730: 3232 3234 2e30 362c 2d34 3039 2e39 3520  2224.06,-409.95 \n-00009740: 3231 3133 2e36 332c 2d34 3434 2e34 3720  2113.63,-444.47 \n-00009750: 3230 3534 2e38 392c 2d34 3539 2e36 3522  2054.89,-459.65\"\n-00009760: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00009770: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00009780: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00009790: 7473 3d22 3230 3533 2e37 322c 2d34 3536  ts=\"2053.72,-456\n-000097a0: 2e33 3420 3230 3434 2e38 382c 2d34 3632  .34 2044.88,-462\n-000097b0: 2e31 3820 3230 3535 2e34 332c 2d34 3633  .18 2055.43,-463\n-000097c0: 2e31 3320 3230 3533 2e37 322c 2d34 3536  .13 2053.72,-456\n-000097d0: 2e33 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .34\"/>.</g>.<!--\n-000097e0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000097f0: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n-00009800: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00009810: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n-00009820: 2069 643d 2265 6467 6534 3122 2063 6c61   id=\"edge41\" cla\n-00009830: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00009840: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00009850: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n-00009860: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00009870: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n-00009880: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00009890: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-000098a0: 6266 6266 2220 643d 224d 3233 3932 2e38  bfbf\" d=\"M2392.8\n-000098b0: 392c 2d31 3638 2e38 3943 3233 3931 2e36  9,-168.89C2391.6\n-000098c0: 392c 2d31 3738 2e36 3520 3233 3930 2e31  9,-178.65 2390.1\n-000098d0: 392c 2d31 3932 2e34 3520 3233 3839 2e35  9,-192.45 2389.5\n-000098e0: 362c 2d32 3034 2e36 3120 3233 3838 2e39  6,-204.61 2388.9\n-000098f0: 352c 2d32 3136 2e35 3420 3233 3838 2e39  5,-216.54 2388.9\n-00009900: 2c2d 3231 392e 3536 2032 3338 392e 3536  ,-219.56 2389.56\n-00009910: 2c2d 3233 312e 3438 2032 3339 352e 3132  ,-231.48 2395.12\n-00009920: 2c2d 3333 312e 3737 2032 3430 392c 2d33  ,-331.77 2409,-3\n-00009930: 3535 2e38 2032 3431 342e 3536 2c2d 3435  55.8 2414.56,-45\n-00009940: 362e 3039 2032 3431 352e 3232 2c2d 3436  6.09 2415.22,-46\n-00009950: 382e 3031 2032 3431 372e 392c 2d34 3731  8.01 2417.9,-471\n-00009960: 2e34 3920 3234 3134 2e35 362c 2d34 3832  .49 2414.56,-482\n-00009970: 2e39 3620 3233 3539 2e36 322c 2d36 3731  .96 2359.62,-671\n-00009980: 2e36 3620 3232 3835 2e34 322c 2d37 3232  .66 2285.42,-722\n-00009990: 2e38 3120 3231 3033 2e35 362c 2d37 3937  .81 2103.56,-797\n-000099a0: 2e33 3120 3230 3130 2e39 332c 2d38 3335  .31 2010.93,-835\n-000099b0: 2e32 3620 3137 3534 2e32 342c 2d38 3234  .26 1754.24,-824\n-000099c0: 2e31 3920 3136 3534 2e35 362c 2d38 3333  .19 1654.56,-833\n-000099d0: 2e33 3120 3136 3237 2e36 332c 2d38 3335  .31 1627.63,-835\n-000099e0: 2e37 3720 3135 3937 2e33 372c 2d38 3338  .77 1597.37,-838\n-000099f0: 2e38 3820 3135 3733 2e38 342c 2d38 3431  .88 1573.84,-841\n-00009a00: 2e33 3822 2f3e 0a3c 706f 6c79 676f 6e20  .38\"/>.<polygon \n-00009a10: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00009a20: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00009a30: 706f 696e 7473 3d22 3135 3733 2e34 352c  points=\"1573.45,\n-00009a40: 2d38 3337 2e39 2031 3536 332e 3838 2c2d  -837.9 1563.88,-\n-00009a50: 3834 322e 3434 2031 3537 342e 3139 2c2d  842.44 1574.19,-\n-00009a60: 3834 342e 3836 2031 3537 332e 3435 2c2d  844.86 1573.45,-\n-00009a70: 3833 372e 3922 2f3e 0a3c 2f67 3e0a 3c21  837.9\"/>.</g>.<!\n-00009a80: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00009a90: 6f6d 6163 735f 696d 6426 2334 353b 2667  omacs_imd&#45;&g\n-00009aa0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00009ab0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-00009ac0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00009ad0: 6534 3322 2063 6c61 7373 3d22 6564 6765  e43\" class=\"edge\n-00009ae0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00009af0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00009b00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00009b10: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00009b20: 6e75 7469 6c69 7479 3c2f 7469 746c 653e  nutility</title>\n-00009b30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00009b40: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00009b50: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-00009b60: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n-00009b70: 3430 352e 3834 2c2d 3136 372e 3432 4332  405.84,-167.42C2\n-00009b80: 3431 342e 3838 2c2d 3137 362e 3831 2032  414.88,-176.81 2\n-00009b90: 3432 372e 3531 2c2d 3139 302e 3835 2032  427.51,-190.85 2\n-00009ba0: 3433 362e 3536 2c2d 3230 342e 3631 2032  436.56,-204.61 2\n-00009bb0: 3438 372e 3732 2c2d 3238 322e 3336 2032  487.72,-282.36 2\n-00009bc0: 3530 362e 3832 2c2d 3330 322e 3439 2032  506.82,-302.49 2\n-00009bd0: 3532 372e 3536 2c2d 3339 332e 3232 2032  527.56,-393.22 2\n-00009be0: 3534 372e 3734 2c2d 3438 312e 3439 2032  547.74,-481.49 2\n-00009bf0: 3439 342e 3536 2c2d 3530 332e 3732 2032  494.56,-503.72 2\n-00009c00: 3439 342e 3536 2c2d 3539 342e 3237 2032  494.56,-594.27 2\n-00009c10: 3439 342e 3536 2c2d 3732 322e 3031 2032  494.56,-722.01 2\n-00009c20: 3439 342e 3536 2c2d 3732 322e 3031 2032  494.56,-722.01 2\n-00009c30: 3439 342e 3536 2c2d 3732 322e 3031 2032  494.56,-722.01 2\n-00009c40: 3439 342e 3536 2c2d 3838 362e 3238 2032  494.56,-886.28 2\n-00009c50: 3233 312e 342c 2d39 3038 2e30 3820 3231  231.4,-908.08 21\n-00009c60: 3132 2e31 322c 2d39 3039 2e35 3222 2f3e  12.12,-909.52\"/>\n-00009c70: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00009c80: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00009c90: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00009ca0: 3d22 3231 3132 2e30 342c 2d39 3036 2e30  =\"2112.04,-906.0\n-00009cb0: 3220 3231 3032 2e30 372c 2d39 3039 2e36  2 2102.07,-909.6\n-00009cc0: 2032 3131 322e 3039 2c2d 3931 332e 3032   2112.09,-913.02\n-00009cd0: 2032 3131 322e 3034 2c2d 3930 362e 3032   2112.04,-906.02\n-00009ce0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00009cf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00009d00: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-00009d10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00009d20: 735f 6861 7264 7761 7265 202d 2d3e 0a3c  s_hardware -->.<\n-00009d30: 6720 6964 3d22 6564 6765 3536 2220 636c  g id=\"edge56\" cl\n-00009d40: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00009d50: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00009d60: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-00009d70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00009d80: 726f 6d61 6373 5f68 6172 6477 6172 653c  romacs_hardware<\n-00009d90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00009da0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00009db0: 3d22 7265 6422 2064 3d22 4d31 3736 372e  =\"red\" d=\"M1767.\n-00009dc0: 3836 2c2d 3231 392e 3232 4331 3833 362e  86,-219.22C1836.\n-00009dd0: 332c 2d32 3230 2e33 2032 3031 352e 3639  3,-220.3 2015.69\n-00009de0: 2c2d 3232 372e 3120 3231 3538 2e35 362c  ,-227.1 2158.56,\n-00009df0: 2d32 3637 2e34 3820 3234 3532 2e30 392c  -267.48 2452.09,\n-00009e00: 2d33 3530 2e34 3520 3236 3734 2e35 362c  -350.45 2674.56,\n-00009e10: 2d34 3134 2e39 3720 3236 3734 2e35 362c  -414.97 2674.56,\n-00009e20: 2d37 3230 2e30 3120 3236 3734 2e35 362c  -720.01 2674.56,\n-00009e30: 2d31 3033 362e 3336 2032 3637 342e 3536  -1036.36 2674.56\n-00009e40: 2c2d 3130 3336 2e33 3620 3236 3734 2e35  ,-1036.36 2674.5\n-00009e50: 362c 2d31 3033 362e 3336 2032 3637 342e  6,-1036.36 2674.\n-00009e60: 3536 2c2d 3130 3836 2e38 3320 3236 3335  56,-1086.83 2635\n-00009e70: 2e36 392c 2d31 3039 312e 3138 2032 3538  .69,-1091.18 258\n-00009e80: 392e 3536 2c2d 3131 3131 2e36 3620 3235  9.56,-1111.66 25\n-00009e90: 3231 2e33 322c 2d31 3134 312e 3936 2032  21.32,-1141.96 2\n-00009ea0: 3330 312e 3837 2c2d 3131 3534 2e32 3620  301.87,-1154.26 \n-00009eb0: 3232 3032 2e38 352c 2d31 3135 382e 3336  2202.85,-1158.36\n-00009ec0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00009ed0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00009ee0: 7265 6422 2070 6f69 6e74 733d 2232 3230  red\" points=\"220\n-00009ef0: 322e 3635 2c2d 3131 3534 2e38 3620 3231  2.65,-1154.86 21\n-00009f00: 3932 2e38 2c2d 3131 3538 2e37 3620 3232  92.8,-1158.76 22\n-00009f10: 3032 2e39 332c 2d31 3136 312e 3836 2032  02.93,-1161.86 2\n-00009f20: 3230 322e 3635 2c2d 3131 3534 2e38 3622  202.65,-1154.86\"\n-00009f30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00009f40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00009f50: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n-00009f60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00009f70: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n-00009f80: 6964 3d22 6564 6765 3530 2220 636c 6173  id=\"edge50\" clas\n-00009f90: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00009fa0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00009fb0: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-00009fc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00009fd0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-00009fe0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00009ff0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-0000a000: 6564 2220 643d 224d 3137 3131 2e34 392c  ed\" d=\"M1711.49,\n-0000a010: 2d32 3231 2e30 3143 3136 3439 2e35 352c  -221.01C1649.55,\n-0000a020: 2d32 3236 2e39 3220 3135 3037 2e35 362c  -226.92 1507.56,\n-0000a030: 2d32 3530 2e33 3720 3135 3037 2e35 362c  -250.37 1507.56,\n-0000a040: 2d33 3432 2e37 3920 3135 3037 2e35 362c  -342.79 1507.56,\n-0000a050: 2d34 3037 2e36 3620 3135 3037 2e35 362c  -407.66 1507.56,\n-0000a060: 2d34 3037 2e36 3620 3135 3037 2e35 362c  -407.66 1507.56,\n-0000a070: 2d34 3037 2e36 3620 3135 3037 2e35 362c  -407.66 1507.56,\n-0000a080: 2d35 3534 2e31 3920 3135 3437 2e33 312c  -554.19 1547.31,\n-0000a090: 2d36 3735 2e39 3920 3136 3134 2e35 362c  -675.99 1614.56,\n-0000a0a0: 2d37 3334 2e34 3420 3136 3431 2e30 352c  -734.44 1641.05,\n-0000a0b0: 2d37 3537 2e34 3620 3136 3738 2e37 372c  -757.46 1678.77,\n-0000a0c0: 2d37 3639 2e36 2031 3730 382e 3137 2c2d  -769.6 1708.17,-\n-0000a0d0: 3737 352e 3937 222f 3e0a 3c70 6f6c 7967  775.97\"/>.<polyg\n-0000a0e0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-0000a0f0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-0000a100: 733d 2231 3730 372e 372c 2d37 3739 2e34  s=\"1707.7,-779.4\n-0000a110: 3420 3137 3138 2e31 392c 2d37 3737 2e39  4 1718.19,-777.9\n-0000a120: 3920 3137 3039 2e30 382c 2d37 3732 2e35  9 1709.08,-772.5\n-0000a130: 3820 3137 3037 2e37 2c2d 3737 392e 3434  8 1707.7,-779.44\n-0000a140: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000a150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000a160: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-0000a170: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000a180: 735f 636f 6d6d 616e 646c 696e 6520 2d2d  s_commandline --\n-0000a190: 3e0a 3c67 2069 643d 2265 6467 6534 3622  >.<g id=\"edge46\"\n-0000a1a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000a1b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000a1c0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n-0000a1d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000a1e0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-0000a1f0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n-0000a200: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000a210: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n-0000a220: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-0000a230: 2235 2c32 2220 643d 224d 3137 3136 2e30  \"5,2\" d=\"M1716.0\n-0000a240: 362c 2d32 3130 2e33 3943 3136 3435 2e38  6,-210.39C1645.8\n-0000a250: 332c 2d31 3930 2e35 3120 3134 3336 2e37  3,-190.51 1436.7\n-0000a260: 332c 2d31 3331 2e33 2031 3334 352e 372c  3,-131.3 1345.7,\n-0000a270: 2d31 3035 2e35 3222 2f3e 0a3c 706f 6c79  -105.52\"/>.<poly\n-0000a280: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n-0000a290: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-0000a2a0: 706f 696e 7473 3d22 3133 3436 2e35 352c  points=\"1346.55,\n-0000a2b0: 2d31 3032 2e31 3220 3133 3335 2e39 382c  -102.12 1335.98,\n-0000a2c0: 2d31 3032 2e37 3720 3133 3434 2e36 352c  -102.77 1344.65,\n-0000a2d0: 2d31 3038 2e38 3620 3133 3436 2e35 352c  -108.86 1346.55,\n-0000a2e0: 2d31 3032 2e31 3222 2f3e 0a3c 2f67 3e0a  -102.12\"/>.</g>.\n-0000a2f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000a300: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-0000a310: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000a320: 5f67 726f 6d61 6373 5f67 7075 5f75 7469  _gromacs_gpu_uti\n-0000a330: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n-0000a340: 6765 3435 2220 636c 6173 733d 2265 6467  ge45\" class=\"edg\n-0000a350: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000a360: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000a370: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000a380: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0000a390: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n-0000a3a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000a3b0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-0000a3c0: 643d 224d 3137 3638 2e31 2c2d 3231 392e  d=\"M1768.1,-219.\n-0000a3d0: 3432 4331 3833 322e 3635 2c2d 3232 302e  42C1832.65,-220.\n-0000a3e0: 3937 2031 3939 342e 3234 2c2d 3232 382e  97 1994.24,-228.\n-0000a3f0: 3733 2032 3132 322e 3536 2c2d 3236 372e  73 2122.56,-267.\n-0000a400: 3438 2032 3136 372e 3638 2c2d 3238 312e  48 2167.68,-281.\n-0000a410: 3131 2032 3436 342e 3035 2c2d 3432 382e  11 2464.05,-428.\n-0000a420: 3920 3235 3032 2e35 362c 2d34 3536 2e30  9 2502.56,-456.0\n-0000a430: 3920 3236 3437 2e39 332c 2d35 3538 2e37  9 2647.93,-558.7\n-0000a440: 3220 3235 3934 2e35 362c 2d36 3637 2e38  2 2594.56,-667.8\n-0000a450: 2032 3539 342e 3536 2c2d 3834 352e 3735   2594.56,-845.75\n-0000a460: 2032 3539 342e 3536 2c2d 3931 302e 3632   2594.56,-910.62\n-0000a470: 2032 3539 342e 3536 2c2d 3931 302e 3632   2594.56,-910.62\n-0000a480: 2032 3539 342e 3536 2c2d 3931 302e 3632   2594.56,-910.62\n-0000a490: 2032 3539 342e 3536 2c2d 3130 3238 2e33   2594.56,-1028.3\n-0000a4a0: 3520 3234 3739 2e33 342c 2d31 3030 382e  5 2479.34,-1008.\n-0000a4b0: 3934 2032 3336 382e 3536 2c2d 3130 3438  94 2368.56,-1048\n-0000a4c0: 2e37 3920 3232 3730 2e30 362c 2d31 3038  .79 2270.06,-108\n-0000a4d0: 342e 3233 2032 3134 362e 3638 2c2d 3130  4.23 2146.68,-10\n-0000a4e0: 3933 2e38 3320 3230 3739 2e32 352c 2d31  93.83 2079.25,-1\n-0000a4f0: 3039 362e 3337 222f 3e0a 3c70 6f6c 7967  096.37\"/>.<polyg\n-0000a500: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-0000a510: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-0000a520: 733d 2232 3037 382e 3739 2c2d 3130 3932  s=\"2078.79,-1092\n-0000a530: 2e38 3920 3230 3638 2e39 322c 2d31 3039  .89 2068.92,-109\n-0000a540: 362e 3732 2032 3037 392e 3033 2c2d 3130  6.72 2079.03,-10\n-0000a550: 3939 2e38 3820 3230 3738 2e37 392c 2d31  99.88 2078.79,-1\n-0000a560: 3039 322e 3839 222f 3e0a 3c2f 673e 0a3c  092.89\"/>.</g>.<\n-0000a570: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000a580: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-0000a590: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000a5a0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-0000a5b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3438  ->.<g id=\"edge48\n-0000a5c0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000a5d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000a5e0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-0000a5f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000a600: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-0000a610: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n-0000a620: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000a630: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0000a640: 4d31 3731 312e 3239 2c2d 3232 302e 3238  M1711.29,-220.28\n-0000a650: 4331 3634 392e 3834 2c2d 3232 332e 3537  C1649.84,-223.57\n-0000a660: 2031 3530 362e 3934 2c2d 3233 342e 3635   1506.94,-234.65\n-0000a670: 2031 3437 332e 3536 2c2d 3236 372e 3438   1473.56,-267.48\n-0000a680: 2031 3434 392e 3233 2c2d 3239 312e 3431   1449.23,-291.41\n-0000a690: 2031 3435 382e 3536 2c2d 3330 382e 3636   1458.56,-308.66\n-0000a6a0: 2031 3435 382e 3536 2c2d 3334 322e 3739   1458.56,-342.79\n-0000a6b0: 2031 3435 382e 3536 2c2d 3430 372e 3636   1458.56,-407.66\n-0000a6c0: 2031 3435 382e 3536 2c2d 3430 372e 3636   1458.56,-407.66\n-0000a6d0: 2031 3435 382e 3536 2c2d 3430 372e 3636   1458.56,-407.66\n-0000a6e0: 2031 3435 382e 3536 2c2d 3439 322e 3820   1458.56,-492.8 \n-0000a6f0: 3134 3833 2e37 322c 2d35 3931 2e38 3420  1483.72,-591.84 \n-0000a700: 3134 3935 2e39 392c 2d36 3335 2e30 3722  1495.99,-635.07\"\n-0000a710: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000a720: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0000a730: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-0000a740: 7473 3d22 3134 3932 2e36 372c 2d36 3336  ts=\"1492.67,-636\n-0000a750: 2e31 3820 3134 3938 2e38 312c 2d36 3434  .18 1498.81,-644\n-0000a760: 2e38 3120 3134 3939 2e33 392c 2d36 3334  .81 1499.39,-634\n-0000a770: 2e32 3320 3134 3932 2e36 372c 2d36 3336  .23 1492.67,-636\n-0000a780: 2e31 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .18\"/>.</g>.<!--\n-0000a790: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000a7a0: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-0000a7b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000a7c0: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c  macs_nbnxm -->.<\n-0000a7d0: 6720 6964 3d22 6564 6765 3533 2220 636c  g id=\"edge53\" cl\n-0000a7e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000a7f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000a800: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-0000a810: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000a820: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469  romacs_nbnxm</ti\n-0000a830: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000a840: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-0000a850: 6564 2220 643d 224d 3137 3638 2e30 382c  ed\" d=\"M1768.08,\n-0000a860: 2d32 3138 2e37 3543 3138 3330 2e39 2c2d  -218.75C1830.9,-\n-0000a870: 3231 382e 3820 3139 3833 2e39 352c 2d32  218.8 1983.95,-2\n-0000a880: 3233 2e34 3620 3231 3031 2e35 362c 2d32  23.46 2101.56,-2\n-0000a890: 3637 2e34 3820 3231 3639 2e37 332c 2d32  67.48 2169.73,-2\n-0000a8a0: 3932 2e39 3920 3231 3733 2e37 2c2d 3332  92.99 2173.7,-32\n-0000a8b0: 342e 3139 2032 3233 382e 3536 2c2d 3335  4.19 2238.56,-35\n-0000a8c0: 372e 3232 2032 3237 382e 3739 2c2d 3337  7.22 2278.79,-37\n-0000a8d0: 372e 3731 2032 3239 342e 3337 2c2d 3337  7.71 2294.37,-37\n-0000a8e0: 302e 3739 2032 3333 332e 3536 2c2d 3339  0.79 2333.56,-39\n-0000a8f0: 332e 3232 2032 3435 372e 3331 2c2d 3436  3.22 2457.31,-46\n-0000a900: 342e 3034 2032 3538 332e 3536 2c2d 3435  4.04 2583.56,-45\n-0000a910: 312e 3638 2032 3538 332e 3536 2c2d 3539  1.68 2583.56,-59\n-0000a920: 342e 3237 2032 3538 332e 3536 2c2d 3635  4.27 2583.56,-65\n-0000a930: 392e 3134 2032 3538 332e 3536 2c2d 3635  9.14 2583.56,-65\n-0000a940: 392e 3134 2032 3538 332e 3536 2c2d 3635  9.14 2583.56,-65\n-0000a950: 392e 3134 2032 3538 332e 3536 2c2d 3639  9.14 2583.56,-69\n-0000a960: 362e 3635 2032 3532 372e 3831 2c2d 3833  6.65 2527.81,-83\n-0000a970: 312e 3537 2032 3530 332e 3536 2c2d 3836  1.57 2503.56,-86\n-0000a980: 302e 3138 2032 3339 302e 3733 2c2d 3939  0.18 2390.73,-99\n-0000a990: 332e 3332 2032 3136 352e 3535 2c2d 3130  3.32 2165.55,-10\n-0000a9a0: 3234 2e38 3120 3230 3731 2e38 332c 2d31  24.81 2071.83,-1\n-0000a9b0: 3033 322e 3136 222f 3e0a 3c70 6f6c 7967  032.16\"/>.<polyg\n-0000a9c0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-0000a9d0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-0000a9e0: 733d 2232 3037 312e 3331 2c2d 3130 3238  s=\"2071.31,-1028\n-0000a9f0: 2e36 3920 3230 3631 2e35 392c 2d31 3033  .69 2061.59,-103\n-0000aa00: 322e 3920 3230 3731 2e38 322c 2d31 3033  2.9 2071.82,-103\n-0000aa10: 352e 3637 2032 3037 312e 3331 2c2d 3130  5.67 2071.31,-10\n-0000aa20: 3238 2e36 3922 2f3e 0a3c 2f67 3e0a 3c21  28.69\"/>.</g>.<!\n-0000aa30: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000aa40: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-0000aa50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000aa60: 726f 6d61 6373 5f69 6d64 202d 2d3e 0a3c  romacs_imd -->.<\n-0000aa70: 6720 6964 3d22 6564 6765 3632 2220 636c  g id=\"edge62\" cl\n-0000aa80: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000aa90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000aaa0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-0000aab0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000aac0: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c  romacs_imd</titl\n-0000aad0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0000aae0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0000aaf0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0000ab00: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0000ab10: 4d31 3736 372e 3137 2c2d 3231 342e 3939  M1767.17,-214.99\n-0000ab20: 4331 3834 382e 3839 2c2d 3230 392e 3238  C1848.89,-209.28\n-0000ab30: 2032 3039 352e 3433 2c2d 3139 322e 3034   2095.43,-192.04\n-0000ab40: 2032 3239 392e 3536 2c2d 3136 382e 3631   2299.56,-168.61\n-0000ab50: 2032 3331 382e 3835 2c2d 3136 362e 3420   2318.85,-166.4 \n-0000ab60: 3233 3430 2e34 392c 2d31 3633 2e32 3620  2340.49,-163.26 \n-0000ab70: 3233 3538 2e33 382c 2d31 3630 2e37 222f  2358.38,-160.7\"/\n-0000ab80: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000ab90: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000aba0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000abb0: 733d 2232 3335 392e 3033 2c2d 3136 342e  s=\"2359.03,-164.\n-0000abc0: 3134 2032 3336 382e 3433 2c2d 3135 392e  14 2368.43,-159.\n-0000abd0: 3236 2032 3335 382e 3034 2c2d 3135 372e  26 2358.04,-157.\n-0000abe0: 3231 2032 3335 392e 3033 2c2d 3136 342e  21 2359.03,-164.\n-0000abf0: 3134 222f 3e0a 3c2f 673e 0a3c 212d 2d20  14\"/>.</g>.<!-- \n-0000ac00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000ac10: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n-0000ac20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000ac30: 6163 735f 646f 6d64 6563 202d 2d3e 0a3c  acs_domdec -->.<\n-0000ac40: 6720 6964 3d22 6564 6765 3437 2220 636c  g id=\"edge47\" cl\n-0000ac50: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000ac60: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000ac70: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-0000ac80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000ac90: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n-0000aca0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000acb0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000acc0: 7265 6422 2064 3d22 4d31 3736 362e 3731  red\" d=\"M1766.71\n-0000acd0: 2c2d 3232 322e 3335 4331 3831 392e 3632  ,-222.35C1819.62\n-0000ace0: 2c2d 3233 302e 3739 2031 3933 352e 3431  ,-230.79 1935.41\n-0000acf0: 2c2d 3235 372e 3831 2031 3939 332e 3536  ,-257.81 1993.56\n-0000ad00: 2c2d 3333 302e 3335 2032 3032 302e 3338  ,-330.35 2020.38\n-0000ad10: 2c2d 3336 332e 3831 2032 3032 342e 3537  ,-363.81 2024.57\n-0000ad20: 2c2d 3431 352e 3934 2032 3032 312e 3636  ,-415.94 2021.66\n-0000ad30: 2c2d 3434 352e 3638 222f 3e0a 3c70 6f6c  ,-445.68\"/>.<pol\n-0000ad40: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-0000ad50: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-0000ad60: 6e74 733d 2232 3031 382e 3135 2c2d 3434  nts=\"2018.15,-44\n-0000ad70: 352e 3531 2032 3032 302e 3233 2c2d 3435  5.51 2020.23,-45\n-0000ad80: 352e 3920 3230 3235 2e30 382c 2d34 3436  5.9 2025.08,-446\n-0000ad90: 2e34 3820 3230 3138 2e31 352c 2d34 3435  .48 2018.15,-445\n-0000ada0: 2e35 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .51\"/>.</g>.<!--\n-0000adb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000adc0: 6163 735f 7461 626c 6573 202d 2d3e 0a3c  acs_tables -->.<\n-0000add0: 6720 6964 3d22 6e6f 6465 3233 2220 636c  g id=\"node23\" cl\n-0000ade0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-0000adf0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000ae00: 6f6d 6163 735f 7461 626c 6573 3c2f 7469  omacs_tables</ti\n-0000ae10: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n-0000ae20: 6465 3233 223e 3c61 2078 6c69 6e6b 3a68  de23\"><a xlink:h\n-0000ae30: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n-0000ae40: 6c65 5f5f 7461 626c 6573 2e78 6874 6d6c  le__tables.xhtml\n-0000ae50: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-0000ae60: 786c 696e 6b3a 7469 746c 653d 2274 6162  xlink:title=\"tab\n-0000ae70: 6c65 7322 3e0a 3c65 6c6c 6970 7365 2066  les\">.<ellipse f\n-0000ae80: 696c 6c3d 2223 6666 6534 6363 2220 7374  ill=\"#ffe4cc\" st\n-0000ae90: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-0000aea0: 2231 3038 392e 3536 2220 6379 3d22 2d31  \"1089.56\" cy=\"-1\n-0000aeb0: 3535 2e31 3822 2072 783d 2233 302e 3331  55.18\" rx=\"30.31\n-0000aec0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-0000aed0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-0000aee0: 3d22 6d69 6464 6c65 2220 783d 2231 3038  =\"middle\" x=\"108\n-0000aef0: 392e 3536 2220 793d 222d 3135 322e 3638  9.56\" y=\"-152.68\n-0000af00: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-0000af10: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-0000af20: 7a65 3d22 3130 2e30 3022 3e74 6162 6c65  ze=\"10.00\">table\n-0000af30: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  s</text>.</a>.</\n-0000af40: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n-0000af50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000af60: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n-0000af70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000af80: 5f74 6162 6c65 7320 2d2d 3e0a 3c67 2069  _tables -->.<g i\n-0000af90: 643d 2265 6467 6535 3822 2063 6c61 7373  d=\"edge58\" class\n-0000afa0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0000afb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000afc0: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n-0000afd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000afe0: 6163 735f 7461 626c 6573 3c2f 7469 746c  acs_tables</titl\n-0000aff0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0000b000: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0000b010: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0000b020: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0000b030: 4d31 3731 322e 3035 2c2d 3231 342e 3437  M1712.05,-214.47\n-0000b040: 4331 3630 392e 3534 2c2d 3230 342e 3837  C1609.54,-204.87\n-0000b050: 2031 3234 392e 362c 2d31 3731 2e31 3620   1249.6,-171.16 \n-0000b060: 3131 3239 2e31 362c 2d31 3539 2e38 3822  1129.16,-159.88\"\n-0000b070: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000b080: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0000b090: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-0000b0a0: 7473 3d22 3131 3239 2e32 2c2d 3135 362e  ts=\"1129.2,-156.\n-0000b0b0: 3337 2031 3131 382e 3932 2c2d 3135 382e  37 1118.92,-158.\n-0000b0c0: 3932 2031 3132 382e 3535 2c2d 3136 332e  92 1128.55,-163.\n-0000b0d0: 3334 2031 3132 392e 322c 2d31 3536 2e33  34 1129.2,-156.3\n-0000b0e0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n+00008ac0: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964  domdec -->.<g id\n+00008ad0: 3d22 6564 6765 3439 2220 636c 6173 733d  =\"edge49\" class=\n+00008ae0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00008af0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00008b00: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+00008b10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008b20: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n+00008b30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00008b40: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00008b50: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00008b60: 7261 793d 2235 2c32 2220 643d 224d 3133  ray=\"5,2\" d=\"M13\n+00008b70: 3734 2e37 332c 2d31 3630 2e30 3943 3133  74.73,-160.09C13\n+00008b80: 3031 2e33 382c 2d31 3730 2e36 3120 3130  01.38,-170.61 10\n+00008b90: 3838 2e35 332c 2d31 3939 2e35 3620 3939  88.53,-199.56 99\n+00008ba0: 352e 3835 2c2d 3231 312e 3634 222f 3e0a  5.85,-211.64\"/>.\n+00008bb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00008bc0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00008bd0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00008be0: 2239 3935 2e31 352c 2d32 3038 2e32 2039  \"995.15,-208.2 9\n+00008bf0: 3835 2e36 392c 2d32 3132 2e39 3620 3939  85.69,-212.96 99\n+00008c00: 362e 3035 2c2d 3231 352e 3134 2039 3935  6.05,-215.14 995\n+00008c10: 2e31 352c 2d32 3038 2e32 222f 3e0a 3c2f  .15,-208.2\"/>.</\n+00008c20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00008c30: 7263 5f67 726f 6d61 6373 5f69 6d64 2623  rc_gromacs_imd&#\n+00008c40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00008c50: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00008c60: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964  tility -->.<g id\n+00008c70: 3d22 6564 6765 3533 2220 636c 6173 733d  =\"edge53\" class=\n+00008c80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00008c90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00008ca0: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+00008cb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008cc0: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n+00008cd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00008ce0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00008cf0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00008d00: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00008d10: 643d 224d 3134 3237 2e34 312c 2d31 3535  d=\"M1427.41,-155\n+00008d20: 2e35 3243 3134 3834 2e33 352c 2d31 3535  .52C1484.35,-155\n+00008d30: 2e31 3720 3136 3138 2e35 332c 2d31 3539  .17 1618.53,-159\n+00008d40: 2e36 3420 3137 3139 2c2d 3230 342e 3631  .64 1719,-204.61\n+00008d50: 2031 3735 392e 3031 2c2d 3232 322e 3532   1759.01,-222.52\n+00008d60: 2031 3737 362e 3333 2c2d 3232 372e 3832   1776.33,-227.82\n+00008d70: 2031 3739 352c 2d32 3637 2e34 3820 3138   1795,-267.48 18\n+00008d80: 3234 2e37 362c 2d33 3330 2e37 3320 3138  24.76,-330.73 18\n+00008d90: 3035 2e39 2c2d 3337 302e 3134 2031 3735  05.9,-370.14 175\n+00008da0: 372c 2d34 3230 2e30 3920 3136 3531 2e31  7,-420.09 1651.1\n+00008db0: 392c 2d35 3238 2e31 3720 3134 3837 2e31  9,-528.17 1487.1\n+00008dc0: 322c 2d36 3130 2e31 3320 3134 3136 2e38  2,-610.13 1416.8\n+00008dd0: 332c 2d36 3432 2e32 3922 2f3e 0a3c 706f  3,-642.29\"/>.<po\n+00008de0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00008df0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00008e00: 3266 6363 2220 706f 696e 7473 3d22 3134  2fcc\" points=\"14\n+00008e10: 3135 2e32 312c 2d36 3339 2e31 3820 3134  15.21,-639.18 14\n+00008e20: 3037 2e35 352c 2d36 3436 2e34 3920 3134  07.55,-646.49 14\n+00008e30: 3138 2e31 2c2d 3634 352e 3535 2031 3431  18.1,-645.55 141\n+00008e40: 352e 3231 2c2d 3633 392e 3138 222f 3e0a  5.21,-639.18\"/>.\n+00008e50: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00008e60: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n+00008e70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00008e80: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00008e90: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+00008ea0: 6535 3222 2063 6c61 7373 3d22 6564 6765  e52\" class=\"edge\n+00008eb0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00008ec0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n+00008ed0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00008ee0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00008ef0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00008f00: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00008f10: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00008f20: 4d31 3430 352e 3234 2c2d 3136 382e 3638  M1405.24,-168.68\n+00008f30: 4331 3430 392e 3135 2c2d 3139 332e 3239  C1409.15,-193.29\n+00008f40: 2031 3430 372e 3439 2c2d 3234 392e 3532   1407.49,-249.52\n+00008f50: 2031 3339 342c 2d32 3934 2e33 3520 3133   1394,-294.35 13\n+00008f60: 3930 2e39 322c 2d33 3034 2e35 3720 3133  90.92,-304.57 13\n+00008f70: 3835 2e37 2c2d 3331 352e 3139 2031 3338  85.7,-315.19 138\n+00008f80: 302e 3036 2c2d 3332 332e 3837 222f 3e0a  0.06,-323.87\"/>.\n+00008f90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00008fa0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00008fb0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00008fc0: 2231 3337 372e 3132 2c2d 3332 312e 3937  \"1377.12,-321.97\n+00008fd0: 2031 3337 342e 3039 2c2d 3333 322e 3132   1374.09,-332.12\n+00008fe0: 2031 3338 322e 3739 2c2d 3332 362e 3037   1382.79,-326.07\n+00008ff0: 2031 3337 372e 3132 2c2d 3332 312e 3937   1377.12,-321.97\n+00009000: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00009010: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00009020: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64  _imd&#45;&gt;mod\n+00009030: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00009040: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n+00009050: 3c67 2069 643d 2265 6467 6534 3822 2063  <g id=\"edge48\" c\n+00009060: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00009070: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00009080: 726f 6d61 6373 5f69 6d64 2623 3435 3b26  romacs_imd&#45;&\n+00009090: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000090a0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+000090b0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n+000090c0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000090d0: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n+000090e0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+000090f0: 2220 643d 224d 3134 3236 2e38 332c 2d31  \" d=\"M1426.83,-1\n+00009100: 3537 2e32 3843 3135 3035 2e39 352c 2d31  57.28C1505.95,-1\n+00009110: 3630 2e38 3720 3137 3336 2e39 352c 2d31  60.87 1736.95,-1\n+00009120: 3733 2e37 3820 3138 3035 2c2d 3230 342e  73.78 1805,-204.\n+00009130: 3631 2031 3933 352e 3333 2c2d 3236 332e  61 1935.33,-263.\n+00009140: 3636 2031 3936 332e 3233 2c2d 3331 392e  66 1963.23,-319.\n+00009150: 3535 2032 3030 362c 2d34 3536 2e30 3920  55 2006,-456.09 \n+00009160: 3230 3434 2e33 362c 2d35 3738 2e35 3820  2044.36,-578.58 \n+00009170: 3230 3131 2e31 382c 2d36 3335 2e38 3420  2011.18,-635.84 \n+00009180: 3139 3239 2c2d 3733 342e 3434 2031 3930  1929,-734.44 190\n+00009190: 322e 3031 2c2d 3736 362e 3832 2031 3839  2.01,-766.82 189\n+000091a0: 352e 3139 2c2d 3737 372e 3438 2031 3835  5.19,-777.48 185\n+000091b0: 382c 2d37 3937 2e33 3120 3138 3137 2e30  8,-797.31 1817.0\n+000091c0: 352c 2d38 3139 2e31 3420 3137 3635 2e37  5,-819.14 1765.7\n+000091d0: 2c2d 3833 312e 3535 2031 3732 372e 3333  ,-831.55 1727.33\n+000091e0: 2c2d 3833 382e 3332 222f 3e0a 3c70 6f6c  ,-838.32\"/>.<pol\n+000091f0: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b  ygon fill=\"black\n+00009200: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00009210: 2070 6f69 6e74 733d 2231 3732 362e 3635   points=\"1726.65\n+00009220: 2c2d 3833 342e 3839 2031 3731 372e 3338  ,-834.89 1717.38\n+00009230: 2c2d 3834 302e 3031 2031 3732 372e 3832  ,-840.01 1727.82\n+00009240: 2c2d 3834 312e 3739 2031 3732 362e 3635  ,-841.79 1726.65\n+00009250: 2c2d 3833 342e 3839 222f 3e0a 3c2f 673e  ,-834.89\"/>.</g>\n+00009260: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00009270: 5f67 726f 6d61 6373 5f69 6d64 2623 3435  _gromacs_imd&#45\n+00009280: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00009290: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n+000092a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3530  ->.<g id=\"edge50\n+000092b0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000092c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000092d0: 635f 6772 6f6d 6163 735f 696d 6426 2334  c_gromacs_imd&#4\n+000092e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000092f0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c  _gromacs_fileio<\n+00009300: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00009310: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00009320: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00009330: 3432 362e 3936 2c2d 3135 372e 3431 4331  426.96,-157.41C1\n+00009340: 3532 362e 3833 2c2d 3136 322e 3731 2031  526.83,-162.71 1\n+00009350: 3837 302c 2d31 3837 2e36 3320 3138 3730  870,-187.63 1870\n+00009360: 2c2d 3237 392e 3932 2031 3837 302c 2d34  ,-279.92 1870,-4\n+00009370: 3037 2e36 3620 3138 3730 2c2d 3430 372e  07.66 1870,-407.\n+00009380: 3636 2031 3837 302c 2d34 3037 2e36 3620  66 1870,-407.66 \n+00009390: 3138 3730 2c2d 3436 392e 3220 3138 3838  1870,-469.2 1888\n+000093a0: 2e38 322c 2d34 3930 2e39 3420 3138 3631  .82,-490.94 1861\n+000093b0: 2c2d 3534 352e 3833 2031 3834 312e 3334  ,-545.83 1841.34\n+000093c0: 2c2d 3538 342e 3633 2031 3832 322e 3134  ,-584.63 1822.14\n+000093d0: 2c2d 3538 342e 3520 3137 3836 2c2d 3630  ,-584.5 1786,-60\n+000093e0: 382e 3720 3137 3335 2e39 372c 2d36 3432  8.7 1735.97,-642\n+000093f0: 2e32 2031 3732 302e 3439 2c2d 3634 352e  .2 1720.49,-645.\n+00009400: 3935 2031 3636 362c 2d36 3731 2e35 3720  95 1666,-671.57 \n+00009410: 3136 3238 2e35 2c2d 3638 392e 3220 3136  1628.5,-689.2 16\n+00009420: 3137 2e34 382c 2d36 3839 2e39 2031 3538  17.48,-689.9 158\n+00009430: 302c 2d37 3037 2e35 3720 3135 3536 2e38  0,-707.57 1556.8\n+00009440: 332c 2d37 3138 2e35 2031 3535 322e 3634  3,-718.5 1552.64\n+00009450: 2c2d 3732 342e 3537 2031 3532 392c 2d37  ,-724.57 1529,-7\n+00009460: 3334 2e34 3420 3134 3739 2e39 372c 2d37  34.44 1479.97,-7\n+00009470: 3534 2e39 3120 3134 3635 2e31 322c 2d37  54.91 1465.12,-7\n+00009480: 3532 2e38 3120 3134 3135 2c2d 3737 302e  52.81 1415,-770.\n+00009490: 3434 2031 3431 342e 3238 2c2d 3737 302e  44 1414.28,-770.\n+000094a0: 3639 2031 3431 332e 3536 2c2d 3737 302e  69 1413.56,-770.\n+000094b0: 3935 2031 3431 322e 3833 2c2d 3737 312e  95 1412.83,-771.\n+000094c0: 3231 222f 3e0a 3c70 6f6c 7967 6f6e 2066  21\"/>.<polygon f\n+000094d0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+000094e0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+000094f0: 6f69 6e74 733d 2231 3431 312e 3339 2c2d  oints=\"1411.39,-\n+00009500: 3736 382e 3031 2031 3430 332e 3234 2c2d  768.01 1403.24,-\n+00009510: 3737 342e 3738 2031 3431 332e 3833 2c2d  774.78 1413.83,-\n+00009520: 3737 342e 3537 2031 3431 312e 3339 2c2d  774.57 1411.39,-\n+00009530: 3736 382e 3031 222f 3e0a 3c2f 673e 0a3c  768.01\"/>.</g>.<\n+00009540: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00009550: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00009560: 6974 7926 2334 353b 2667 743b 6d6f 6475  ity&#45;&gt;modu\n+00009570: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00009580: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n+00009590: 3d22 6564 6765 3536 2220 636c 6173 733d  =\"edge56\" class=\n+000095a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+000095b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000095c0: 735f 6d64 7275 6e75 7469 6c69 7479 2623  s_mdrunutility&#\n+000095d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000095e0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+000095f0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00009600: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00009610: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00009620: 4d31 3337 322e 3039 2c2d 3637 312e 3236  M1372.09,-671.26\n+00009630: 4331 3334 372e 3639 2c2d 3639 372e 3733  C1347.69,-697.73\n+00009640: 2031 3238 352e 3737 2c2d 3736 312e 3138   1285.77,-761.18\n+00009650: 2031 3232 322c 2d37 3937 2e33 3120 3131   1222,-797.31 11\n+00009660: 3737 2e39 382c 2d38 3232 2e32 3520 3131  77.98,-822.25 11\n+00009670: 3535 2e30 322c 2d38 3033 2e36 3920 3131  55.02,-803.69 11\n+00009680: 3134 2c2d 3833 332e 3331 2031 3031 372e  14,-833.31 1017.\n+00009690: 3038 2c2d 3930 332e 3320 3130 3531 2e31  08,-903.3 1051.1\n+000096a0: 322c 2d39 3830 2e34 3920 3935 332c 2d31  2,-980.49 953,-1\n+000096b0: 3034 382e 3739 2039 3333 2e31 342c 2d31  048.79 933.14,-1\n+000096c0: 3036 322e 3632 2038 3732 2e30 342c 2d31  062.62 872.04,-1\n+000096d0: 3037 382e 3438 2038 3330 2e33 2c2d 3130  078.48 830.3,-10\n+000096e0: 3838 2e31 3822 2f3e 0a3c 706f 6c79 676f  88.18\"/>.<polygo\n+000096f0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00009700: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00009710: 2220 706f 696e 7473 3d22 3832 392e 3337  \" points=\"829.37\n+00009720: 2c2d 3130 3834 2e38 2038 3230 2e34 2c2d  ,-1084.8 820.4,-\n+00009730: 3130 3930 2e34 3420 3833 302e 3933 2c2d  1090.44 830.93,-\n+00009740: 3130 3931 2e36 3220 3832 392e 3337 2c2d  1091.62 829.37,-\n+00009750: 3130 3834 2e38 222f 3e0a 3c2f 673e 0a3c  1084.8\"/>.</g>.<\n+00009760: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00009770: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00009780: 6974 7926 2334 353b 2667 743b 6d6f 6475  ity&#45;&gt;modu\n+00009790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+000097a0: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+000097b0: 2265 6467 6535 3722 2063 6c61 7373 3d22  \"edge57\" class=\"\n+000097c0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000097d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000097e0: 5f6d 6472 756e 7574 696c 6974 7926 2334  _mdrunutility&#4\n+000097f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00009800: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c  _gromacs_gmxlib<\n+00009810: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00009820: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00009830: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00009840: 3335 382e 3839 2c2d 3636 392e 3737 4331  358.89,-669.77C1\n+00009850: 3330 332e 3531 2c2d 3639 342e 3031 2031  303.51,-694.01 1\n+00009860: 3136 322e 3732 2c2d 3735 342e 3533 2031  162.72,-754.53 1\n+00009870: 3034 322c 2d37 3937 2e33 3120 3939 302e  042,-797.31 990.\n+00009880: 3332 2c2d 3831 352e 3632 2039 3732 2e33  32,-815.62 972.3\n+00009890: 352c 2d38 3037 2e34 3620 3932 342c 2d38  5,-807.46 924,-8\n+000098a0: 3333 2e33 3120 3839 352e 3735 2c2d 3834  33.31 895.75,-84\n+000098b0: 382e 3432 2038 3637 2e39 332c 2d38 3732  8.42 867.93,-872\n+000098c0: 2e38 3920 3835 302e 3431 2c2d 3838 392e  .89 850.41,-889.\n+000098d0: 3832 222f 3e0a 3c70 6f6c 7967 6f6e 2066  82\"/>.<polygon f\n+000098e0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+000098f0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00009900: 6f69 6e74 733d 2238 3437 2e37 382c 2d38  oints=\"847.78,-8\n+00009910: 3837 2e34 3920 3834 332e 3132 2c2d 3839  87.49 843.12,-89\n+00009920: 3720 3835 322e 372c 2d38 3932 2e34 3820  7 852.7,-892.48 \n+00009930: 3834 372e 3738 2c2d 3838 372e 3439 222f  847.78,-887.49\"/\n+00009940: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00009950: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00009960: 6472 756e 7574 696c 6974 7926 2334 353b  drunutility&#45;\n+00009970: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00009980: 726f 6d61 6373 5f6d 6472 756e 202d 2d3e  romacs_mdrun -->\n+00009990: 0a3c 6720 6964 3d22 6564 6765 3630 2220  .<g id=\"edge60\" \n+000099a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000099b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000099c0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+000099d0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n+000099e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000099f0: 6d64 7275 6e3c 2f74 6974 6c65 3e0a 3c70  mdrun</title>.<p\n+00009a00: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00009a10: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+00009a20: 4d31 3335 362e 3232 2c2d 3634 362e 3935  M1356.22,-646.95\n+00009a30: 4331 3333 332e 382c 2d36 3337 2e32 3220  C1333.8,-637.22 \n+00009a40: 3133 3032 2e32 332c 2d36 3232 2e34 3420  1302.23,-622.44 \n+00009a50: 3132 3830 2e30 342c 2d36 3131 2e33 3522  1280.04,-611.35\"\n+00009a60: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00009a70: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+00009a80: 6564 2220 706f 696e 7473 3d22 3132 3831  ed\" points=\"1281\n+00009a90: 2e33 362c 2d36 3038 2e30 3920 3132 3730  .36,-608.09 1270\n+00009aa0: 2e38 362c 2d36 3036 2e36 3920 3132 3738  .86,-606.69 1278\n+00009ab0: 2e32 2c2d 3631 342e 3334 2031 3238 312e  .2,-614.34 1281.\n+00009ac0: 3336 2c2d 3630 382e 3039 222f 3e0a 3c2f  36,-608.09\"/>.</\n+00009ad0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00009ae0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00009af0: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n+00009b00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00009b10: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n+00009b20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3538  ->.<g id=\"edge58\n+00009b30: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00009b40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00009b50: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00009b60: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n+00009b70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00009b80: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n+00009b90: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00009ba0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00009bb0: 626c 6163 6b22 2073 7472 6f6b 652d 6461  black\" stroke-da\n+00009bc0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00009bd0: 224d 3133 3935 2e38 352c 2d36 3731 2e31  \"M1395.85,-671.1\n+00009be0: 4331 3432 382e 3133 2c2d 3730 312e 3031  C1428.13,-701.01\n+00009bf0: 2031 3531 322e 3431 2c2d 3737 372e 3938   1512.41,-777.98\n+00009c00: 2031 3534 352c 2d37 3937 2e33 3120 3135   1545,-797.31 15\n+00009c10: 3731 2e32 352c 2d38 3132 2e38 3820 3136  71.25,-812.88 16\n+00009c20: 3033 2e33 392c 2d38 3235 2e30 3820 3136  03.39,-825.08 16\n+00009c30: 3238 2e37 372c 2d38 3333 2e33 3422 2f3e  28.77,-833.34\"/>\n+00009c40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00009c50: 626c 6163 6b22 2073 7472 6f6b 653d 2262  black\" stroke=\"b\n+00009c60: 6c61 636b 2220 706f 696e 7473 3d22 3136  lack\" points=\"16\n+00009c70: 3237 2e39 2c2d 3833 362e 3734 2031 3633  27.9,-836.74 163\n+00009c80: 382e 3439 2c2d 3833 362e 3432 2031 3633  8.49,-836.42 163\n+00009c90: 302e 3032 2c2d 3833 302e 3036 2031 3632  0.02,-830.06 162\n+00009ca0: 372e 392c 2d38 3336 2e37 3422 2f3e 0a3c  7.9,-836.74\"/>.<\n+00009cb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00009cc0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00009cd0: 6e75 7469 6c69 7479 2623 3435 3b26 6774  nutility&#45;&gt\n+00009ce0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009cf0: 6163 735f 6861 7264 7761 7265 202d 2d3e  acs_hardware -->\n+00009d00: 0a3c 6720 6964 3d22 6564 6765 3535 2220  .<g id=\"edge55\" \n+00009d10: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00009d20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00009d30: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00009d40: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n+00009d50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00009d60: 6861 7264 7761 7265 3c2f 7469 746c 653e  hardware</title>\n+00009d70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00009d80: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00009d90: 6266 2220 643d 224d 3134 3239 2e32 392c  bf\" d=\"M1429.29,\n+00009da0: 2d36 3534 2e38 3543 3135 3236 2e36 332c  -654.85C1526.63,\n+00009db0: 2d36 3438 2e35 3620 3137 3537 2e38 362c  -648.56 1757.86,\n+00009dc0: 2d36 3235 2e37 2031 3933 322c 2d35 3435  -625.7 1932,-545\n+00009dd0: 2e38 3320 3139 3733 2e34 322c 2d35 3236  .83 1973.42,-526\n+00009de0: 2e38 3320 3139 3830 2e39 392c 2d35 3135  .83 1980.99,-515\n+00009df0: 2e33 3920 3230 3133 2c2d 3438 322e 3936  .39 2013,-482.96\n+00009e00: 2032 3038 372e 3433 2c2d 3430 372e 3535   2087.43,-407.55\n+00009e10: 2032 3135 312e 3035 2c2d 3336 372e 3132   2151.05,-367.12\n+00009e20: 2032 3131 352c 2d32 3637 2e34 3820 3230   2115,-267.48 20\n+00009e30: 3930 2e35 372c 2d31 3939 2e39 3520 3230  90.57,-199.95 20\n+00009e40: 3237 2e32 362c 2d31 3430 2e31 3720 3139  27.26,-140.17 19\n+00009e50: 3932 2e39 342c 2d31 3131 2e34 3222 2f3e  92.94,-111.42\"/>\n+00009e60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00009e70: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00009e80: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00009e90: 3d22 3139 3934 2e38 322c 2d31 3038 2e34  =\"1994.82,-108.4\n+00009ea0: 3420 3139 3834 2e38 382c 2d31 3034 2e37  4 1984.88,-104.7\n+00009eb0: 3920 3139 3930 2e33 382c 2d31 3133 2e38  9 1990.38,-113.8\n+00009ec0: 3520 3139 3934 2e38 322c 2d31 3038 2e34  5 1994.82,-108.4\n+00009ed0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00009ee0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00009ef0: 735f 6d64 7275 6e75 7469 6c69 7479 2623  s_mdrunutility&#\n+00009f00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00009f10: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+00009f20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00009f30: 3539 2220 636c 6173 733d 2265 6467 6522  59\" class=\"edge\"\n+00009f40: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00009f50: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00009f60: 6e75 7469 6c69 7479 2623 3435 3b26 6774  nutility&#45;&gt\n+00009f70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009f80: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n+00009f90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00009fa0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00009fb0: 6266 6266 2220 643d 224d 3133 3837 2e32  bfbf\" d=\"M1387.2\n+00009fc0: 392c 2d36 3731 2e37 3743 3133 3930 2e31  9,-671.77C1390.1\n+00009fd0: 372c 2d36 3932 2e36 3320 3133 3930 2e35  7,-692.63 1390.5\n+00009fe0: 322c 2d37 3334 2e35 3620 3133 3838 2e33  2,-734.56 1388.3\n+00009ff0: 342c 2d37 3630 2e35 3222 2f3e 0a3c 706f  4,-760.52\"/>.<po\n+0000a000: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+0000a010: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+0000a020: 6266 6266 2220 706f 696e 7473 3d22 3133  bfbf\" points=\"13\n+0000a030: 3834 2e38 352c 2d37 3630 2e32 3420 3133  84.85,-760.24 13\n+0000a040: 3837 2e32 342c 2d37 3730 2e35 3620 3133  87.24,-770.56 13\n+0000a050: 3931 2e38 2c2d 3736 3120 3133 3834 2e38  91.8,-761 1384.8\n+0000a060: 352c 2d37 3630 2e32 3422 2f3e 0a3c 2f67  5,-760.24\"/>.</g\n+0000a070: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000a080: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0000a090: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000a0a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+0000a0b0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n+0000a0c0: 6765 3634 2220 636c 6173 733d 2265 6467  ge64\" class=\"edg\n+0000a0d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000a0e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000a0f0: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000a100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000a110: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n+0000a120: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000a130: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+0000a140: 224d 3132 3431 2e39 322c 2d36 3037 2e37  \"M1241.92,-607.7\n+0000a150: 3643 3132 3332 2e31 322c 2d36 3137 2e33  6C1232.12,-617.3\n+0000a160: 3120 3132 3138 2e31 352c 2d36 3331 2e34  1 1218.15,-631.4\n+0000a170: 3220 3132 3037 2c2d 3634 342e 3720 3132  2 1207,-644.7 12\n+0000a180: 3033 2e30 342c 2d36 3439 2e34 3120 3131  03.04,-649.41 11\n+0000a190: 3436 2e35 342c 2d37 3330 2e32 3820 3131  46.54,-730.28 11\n+0000a1a0: 3432 2c2d 3733 342e 3434 2031 3131 392e  42,-734.44 1119.\n+0000a1b0: 3038 2c2d 3735 352e 3436 2031 3130 352e  08,-755.46 1105.\n+0000a1c0: 3036 2c2d 3734 392e 3537 2031 3038 322c  06,-749.57 1082,\n+0000a1d0: 2d37 3730 2e34 3420 3130 3730 2e39 362c  -770.44 1070.96,\n+0000a1e0: 2d37 3830 2e34 3320 3130 3732 2e30 392c  -780.43 1072.09,\n+0000a1f0: 2d37 3836 2e33 3720 3130 3632 2c2d 3739  -786.37 1062,-79\n+0000a200: 372e 3331 2031 3034 352e 3536 2c2d 3831  7.31 1045.56,-81\n+0000a210: 352e 3134 2031 3033 382e 3136 2c2d 3831  5.14 1038.16,-81\n+0000a220: 362e 3137 2031 3032 312c 2d38 3333 2e33  6.17 1021,-833.3\n+0000a230: 3120 3934 312e 3939 2c2d 3931 322e 3233  1 941.99,-912.23\n+0000a240: 2039 3238 2e36 392c 2d39 3338 2e30 3220   928.69,-938.02 \n+0000a250: 3835 352c 2d31 3032 312e 3932 2038 3338  855,-1021.92 838\n+0000a260: 2e34 352c 2d31 3034 302e 3737 2038 3139  .45,-1040.77 819\n+0000a270: 2e35 392c 2d31 3036 322e 3239 2038 3036  .59,-1062.29 806\n+0000a280: 2e32 382c 2d31 3037 372e 3439 222f 3e0a  .28,-1077.49\"/>.\n+0000a290: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n+0000a2a0: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n+0000a2b0: 2070 6f69 6e74 733d 2238 3033 2e34 362c   points=\"803.46,\n+0000a2c0: 2d31 3037 352e 3339 2037 3939 2e35 312c  -1075.39 799.51,\n+0000a2d0: 2d31 3038 352e 3232 2038 3038 2e37 332c  -1085.22 808.73,\n+0000a2e0: 2d31 3038 3020 3830 332e 3436 2c2d 3130  -1080 803.46,-10\n+0000a2f0: 3735 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21  75.39\"/>.</g>.<!\n+0000a300: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000a310: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0000a320: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000a330: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n+0000a340: 3e0a 3c67 2069 643d 2265 6467 6537 3122  >.<g id=\"edge71\"\n+0000a350: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000a360: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000a370: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+0000a380: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000a390: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+0000a3a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000a3b0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000a3c0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+0000a3d0: 3132 3238 2e38 322c 2d36 3033 2e33 3743  1228.82,-603.37C\n+0000a3e0: 3132 3036 2e34 372c 2d36 3130 2e37 3220  1206.47,-610.72 \n+0000a3f0: 3131 3734 2e30 332c 2d36 3234 2e30 3620  1174.03,-624.06 \n+0000a400: 3131 3532 2c2d 3634 342e 3720 3131 3138  1152,-644.7 1118\n+0000a410: 2e36 382c 2d36 3735 2e39 3220 3131 3332  .68,-675.92 1132\n+0000a420: 2e33 362c 2d37 3030 2e33 3420 3131 3032  .36,-700.34 1102\n+0000a430: 2c2d 3733 342e 3434 2031 3038 332e 3739  ,-734.44 1083.79\n+0000a440: 2c2d 3735 342e 3839 2031 3037 332e 3334  ,-754.89 1073.34\n+0000a450: 2c2d 3735 332e 3238 2031 3035 322c 2d37  ,-753.28 1052,-7\n+0000a460: 3730 2e34 3420 3130 3338 2e30 352c 2d37  70.44 1038.05,-7\n+0000a470: 3831 2e36 3620 3130 3337 2e37 372c 2d37  81.66 1037.77,-7\n+0000a480: 3838 2e38 3420 3130 3232 2c2d 3739 372e  88.84 1022,-797.\n+0000a490: 3331 2039 3636 2e31 362c 2d38 3237 2e33  31 966.16,-827.3\n+0000a4a0: 2039 3335 2e39 322c 2d37 3936 2e39 3620   935.92,-796.96 \n+0000a4b0: 3838 342c 2d38 3333 2e33 3120 3836 342e  884,-833.31 864.\n+0000a4c0: 3734 2c2d 3834 362e 3739 2038 3530 2e33  74,-846.79 850.3\n+0000a4d0: 382c 2d38 3639 2e38 3520 3834 312e 3638  8,-869.85 841.68\n+0000a4e0: 2c2d 3838 362e 3922 2f3e 0a3c 706f 6c79  ,-886.9\"/>.<poly\n+0000a4f0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+0000a500: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+0000a510: 6266 2220 706f 696e 7473 3d22 3833 382e  bf\" points=\"838.\n+0000a520: 3432 2c2d 3838 352e 3631 2038 3337 2e32  42,-885.61 837.2\n+0000a530: 322c 2d38 3936 2e31 3420 3834 342e 3732  2,-896.14 844.72\n+0000a540: 2c2d 3838 382e 3635 2038 3338 2e34 322c  ,-888.65 838.42,\n+0000a550: 2d38 3835 2e36 3122 2f3e 0a3c 2f67 3e0a  -885.61\"/>.</g>.\n+0000a560: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000a570: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n+0000a580: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000a590: 5f67 726f 6d61 6373 5f67 7075 5f75 7469  _gromacs_gpu_uti\n+0000a5a0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n+0000a5b0: 6765 3732 2220 636c 6173 733d 2265 6467  ge72\" class=\"edg\n+0000a5c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000a5d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000a5e0: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000a5f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+0000a600: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n+0000a610: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000a620: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000a630: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000a640: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0000a650: 3234 372e 3432 2c2d 3630 382e 3534 4331  247.42,-608.54C1\n+0000a660: 3233 332e 3539 2c2d 3633 332e 3732 2031  233.59,-633.72 1\n+0000a670: 3139 392e 3639 2c2d 3639 322e 3336 2031  199.69,-692.36 1\n+0000a680: 3136 322c 2d37 3334 2e34 3420 3131 3136  162,-734.44 1116\n+0000a690: 2e33 352c 2d37 3835 2e34 3120 3130 3838  .35,-785.41 1088\n+0000a6a0: 2e36 382c 2d37 3831 2e35 2031 3034 342c  .68,-781.5 1044,\n+0000a6b0: 2d38 3333 2e33 3120 3130 3133 2e34 352c  -833.31 1013.45,\n+0000a6c0: 2d38 3638 2e37 3420 3130 3135 2e34 352c  -868.74 1015.45,\n+0000a6d0: 2d38 3834 2e34 3720 3938 392c 2d39 3233  -884.47 989,-923\n+0000a6e0: 2e30 3520 3936 362e 3432 2c2d 3935 352e  .05 966.42,-955.\n+0000a6f0: 3938 2039 3337 2e38 342c 2d39 3932 2e34  98 937.84,-992.4\n+0000a700: 3620 3932 302e 3234 2c2d 3130 3134 2e33  6 920.24,-1014.3\n+0000a710: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n+0000a720: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0000a730: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0000a740: 696e 7473 3d22 3931 372e 3431 2c2d 3130  ints=\"917.41,-10\n+0000a750: 3132 2e33 3320 3931 332e 3835 2c2d 3130  12.33 913.85,-10\n+0000a760: 3232 2e33 3120 3932 322e 3836 2c2d 3130  22.31 922.86,-10\n+0000a770: 3136 2e37 3220 3931 372e 3431 2c2d 3130  16.72 917.41,-10\n+0000a780: 3132 2e33 3322 2f3e 0a3c 2f67 3e0a 3c21  12.33\"/>.</g>.<!\n+0000a790: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000a7a0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0000a7b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000a7c0: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d  romacs_domdec --\n+0000a7d0: 3e0a 3c67 2069 643d 2265 6467 6536 3822  >.<g id=\"edge68\"\n+0000a7e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000a7f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000a800: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+0000a810: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000a820: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+0000a830: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000a840: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000a850: 653d 2223 3238 3266 6363 2220 643d 224d  e=\"#282fcc\" d=\"M\n+0000a860: 3132 3439 2e36 352c 2d35 3831 2e37 3943  1249.65,-581.79C\n+0000a870: 3132 3337 2e35 2c2d 3532 372e 3032 2031  1237.5,-527.02 1\n+0000a880: 3230 392e 3939 2c2d 3330 382e 3638 2031  209.99,-308.68 1\n+0000a890: 3135 392c 2d32 3637 2e34 3820 3131 3333  159,-267.48 1133\n+0000a8a0: 2e38 352c 2d32 3437 2e31 3620 3130 3438  .85,-247.16 1048\n+0000a8b0: 2e34 332c 2d32 3332 2e36 3220 3939 352e  .43,-232.62 995.\n+0000a8c0: 342c 2d32 3235 2e30 3522 2f3e 0a3c 706f  4,-225.05\"/>.<po\n+0000a8d0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+0000a8e0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+0000a8f0: 3266 6363 2220 706f 696e 7473 3d22 3939  2fcc\" points=\"99\n+0000a900: 352e 3634 2c2d 3232 312e 3535 2039 3835  5.64,-221.55 985\n+0000a910: 2e32 352c 2d32 3233 2e36 3320 3939 342e  .25,-223.63 994.\n+0000a920: 3637 2c2d 3232 382e 3438 2039 3935 2e36  67,-228.48 995.6\n+0000a930: 342c 2d32 3231 2e35 3522 2f3e 0a3c 2f67  4,-221.55\"/>.</g\n+0000a940: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000a950: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0000a960: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000a970: 7263 5f67 726f 6d61 6373 5f73 7761 7020  rc_gromacs_swap \n+0000a980: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536  -->.<g id=\"edge6\n+0000a990: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+0000a9a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000a9b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+0000a9c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000a9d0: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+0000a9e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000a9f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000aa00: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0000aa10: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+0000aa20: 3222 2064 3d22 4d31 3236 332e 3838 2c2d  2\" d=\"M1263.88,-\n+0000aa30: 3538 322e 3234 4331 3237 302e 3636 2c2d  582.24C1270.66,-\n+0000aa40: 3537 332e 3939 2031 3237 392e 3831 2c2d  573.99 1279.81,-\n+0000aa50: 3536 322e 3834 2031 3238 372e 3637 2c2d  562.84 1287.67,-\n+0000aa60: 3535 332e 3238 222f 3e0a 3c70 6f6c 7967  553.28\"/>.<polyg\n+0000aa70: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0000aa80: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000aa90: 6322 2070 6f69 6e74 733d 2231 3239 302e  c\" points=\"1290.\n+0000aaa0: 352c 2d35 3535 2e33 3520 3132 3934 2e31  5,-555.35 1294.1\n+0000aab0: 342c 2d35 3435 2e34 2031 3238 352e 3039  4,-545.4 1285.09\n+0000aac0: 2c2d 3535 302e 3920 3132 3930 2e35 2c2d  ,-550.9 1290.5,-\n+0000aad0: 3535 352e 3335 222f 3e0a 3c2f 673e 0a3c  555.35\"/>.</g>.<\n+0000aae0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000aaf0: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0000ab00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000ab10: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n+0000ab20: 6c64 796e 616d 6963 7320 2d2d 3e0a 3c67  ldynamics -->.<g\n+0000ab30: 2069 643d 2265 6467 6538 3322 2063 6c61   id=\"edge83\" cla\n+0000ab40: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0000ab50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0000ab60: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0000ab70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000ab80: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n+0000ab90: 796e 616d 6963 733c 2f74 6974 6c65 3e0a  ynamics</title>.\n+0000aba0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000abb0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000abc0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0000abd0: 7261 793d 2235 2c32 2220 643d 224d 3132  ray=\"5,2\" d=\"M12\n+0000abe0: 3233 2e37 372c 2d35 3931 2e36 3343 3131  23.77,-591.63C11\n+0000abf0: 3934 2e37 352c 2d35 3837 2e33 2031 3135  94.75,-587.3 115\n+0000ac00: 322e 3432 2c2d 3537 352e 3920 3131 3332  2.42,-575.9 1132\n+0000ac10: 2c2d 3534 352e 3833 2031 3131 362e 3236  ,-545.83 1116.26\n+0000ac20: 2c2d 3532 322e 3634 2031 3133 352e 3037  ,-522.64 1135.07\n+0000ac30: 2c2d 3531 302e 3932 2031 3133 372c 2d34  ,-510.92 1137,-4\n+0000ac40: 3832 2e39 3620 3131 3431 2e36 382c 2d34  82.96 1141.68,-4\n+0000ac50: 3135 2e33 2031 3136 322e 3438 2c2d 3339  15.3 1162.48,-39\n+0000ac60: 332e 3231 2031 3133 372c 2d33 3330 2e33  3.21 1137,-330.3\n+0000ac70: 3520 3131 3332 2e34 322c 2d33 3139 2e30  5 1132.42,-319.0\n+0000ac80: 3420 3131 3233 2e37 392c 2d33 3038 2e39  4 1123.79,-308.9\n+0000ac90: 3220 3131 3135 2e31 362c 2d33 3030 2e38  2 1115.16,-300.8\n+0000aca0: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n+0000acb0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0000acc0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0000acd0: 696e 7473 3d22 3131 3137 2e32 2c2d 3239  ints=\"1117.2,-29\n+0000ace0: 382e 3033 2031 3130 372e 3335 2c2d 3239  8.03 1107.35,-29\n+0000acf0: 342e 3133 2031 3131 322e 3632 2c2d 3330  4.13 1112.62,-30\n+0000ad00: 332e 3332 2031 3131 372e 322c 2d32 3938  3.32 1117.2,-298\n+0000ad10: 2e30 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .03\"/>.</g>.<!--\n+0000ad20: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000ad30: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+0000ad40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000ad50: 6d61 6373 5f69 6d64 202d 2d3e 0a3c 6720  macs_imd -->.<g \n+0000ad60: 6964 3d22 6564 6765 3632 2220 636c 6173  id=\"edge62\" clas\n+0000ad70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000ad80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000ad90: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+0000ada0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000adb0: 6d61 6373 5f69 6d64 3c2f 7469 746c 653e  macs_imd</title>\n+0000adc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000add0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000ade0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000adf0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0000ae00: 3238 302e 3538 2c2d 3538 382e 3039 4331  280.58,-588.09C1\n+0000ae10: 3338 382e 3733 2c2d 3536 322e 3139 2031  388.73,-562.19 1\n+0000ae20: 3739 302c 2d34 3538 2e34 3620 3137 3930  790,-458.46 1790\n+0000ae30: 2c2d 3334 342e 3739 2031 3739 302c 2d33  ,-344.79 1790,-3\n+0000ae40: 3434 2e37 3920 3137 3930 2c2d 3334 342e  44.79 1790,-344.\n+0000ae50: 3739 2031 3739 302c 2d32 3739 2e39 3220  79 1790,-279.92 \n+0000ae60: 3137 3930 2c2d 3230 362e 3134 2031 3533  1790,-206.14 153\n+0000ae70: 332e 3235 2c2d 3137 302e 3632 2031 3433  3.25,-170.62 143\n+0000ae80: 362e 3339 2c2d 3135 392e 3835 222f 3e0a  6.39,-159.85\"/>.\n+0000ae90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0000aea0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+0000aeb0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+0000aec0: 2231 3433 362e 3531 2c2d 3135 362e 3334  \"1436.51,-156.34\n+0000aed0: 2031 3432 362e 3139 2c2d 3135 382e 3734   1426.19,-158.74\n+0000aee0: 2031 3433 352e 3736 2c2d 3136 332e 3320   1435.76,-163.3 \n+0000aef0: 3134 3336 2e35 312c 2d31 3536 2e33 3422  1436.51,-156.34\"\n+0000af00: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0000af10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000af20: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0000af30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000af40: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n+0000af50: 3e0a 3c67 2069 643d 2265 6467 6536 3322  >.<g id=\"edge63\"\n+0000af60: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000af70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000af80: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+0000af90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000afa0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+0000afb0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n+0000afc0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000afd0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0000afe0: 2220 643d 224d 3132 3736 2e37 372c 2d36  \" d=\"M1276.77,-6\n+0000aff0: 3034 2e37 3243 3132 3938 2e36 392c 2d36  04.72C1298.69,-6\n+0000b000: 3134 2e31 2031 3333 312e 3538 2c2d 3632  14.1 1331.58,-62\n+0000b010: 392e 3433 2031 3335 352e 3034 2c2d 3634  9.43 1355.04,-64\n+0000b020: 312e 3122 2f3e 0a3c 706f 6c79 676f 6e20  1.1\"/>.<polygon \n+0000b030: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0000b040: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0000b050: 706f 696e 7473 3d22 3133 3533 2e36 342c  points=\"1353.64,\n+0000b060: 2d36 3434 2e33 3120 3133 3634 2e31 352c  -644.31 1364.15,\n+0000b070: 2d36 3435 2e36 3920 3133 3536 2e37 392c  -645.69 1356.79,\n+0000b080: 2d36 3338 2e30 3620 3133 3533 2e36 342c  -638.06 1353.64,\n+0000b090: 2d36 3434 2e33 3122 2f3e 0a3c 2f67 3e0a  -644.31\"/>.</g>.\n+0000b0a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000b0b0: 6772 6f6d 6163 735f 7461 736b 6173 7369  gromacs_taskassi\n+0000b0c0: 676e 6d65 6e74 202d 2d3e 0a3c 6720 6964  gnment -->.<g id\n+0000b0d0: 3d22 6e6f 6465 3136 2220 636c 6173 733d  =\"node16\" class=\n+0000b0e0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n 0000b0f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b100: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n-0000b110: 6963 7320 2d2d 3e0a 3c67 2069 643d 226e  ics -->.<g id=\"n\n-0000b120: 6f64 6532 3622 2063 6c61 7373 3d22 6e6f  ode26\" class=\"no\n-0000b130: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-0000b140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000b150: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n-0000b160: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-0000b170: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-0000b180: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-0000b190: 6378 3d22 3235 3434 2e35 3622 2063 793d  cx=\"2544.56\" cy=\n-0000b1a0: 222d 3135 352e 3138 2220 7278 3d22 3639  \"-155.18\" rx=\"69\n-0000b1b0: 2e30 3922 2072 793d 2231 332e 3337 222f  .09\" ry=\"13.37\"/\n-0000b1c0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-0000b1d0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-0000b1e0: 3235 3434 2e35 3622 2079 3d22 2d31 3532  2544.56\" y=\"-152\n-0000b1f0: 2e36 3822 2066 6f6e 742d 6661 6d69 6c79  .68\" font-family\n-0000b200: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-0000b210: 2d73 697a 653d 2231 302e 3030 223e 6573  -size=\"10.00\">es\n-0000b220: 7365 6e74 6961 6c64 796e 616d 6963 733c  sentialdynamics<\n-0000b230: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n-0000b240: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000b250: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-0000b260: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000b270: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n-0000b280: 6e61 6d69 6373 202d 2d3e 0a3c 6720 6964  namics -->.<g id\n-0000b290: 3d22 6564 6765 3630 2220 636c 6173 733d  =\"edge60\" class=\n-0000b2a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000b2b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b2c0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n-0000b2d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000b2e0: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n-0000b2f0: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061  mics</title>.<pa\n-0000b300: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000b310: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0000b320: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-0000b330: 3d22 352c 3222 2064 3d22 4d31 3736 372e  =\"5,2\" d=\"M1767.\n-0000b340: 3339 2c2d 3231 352e 3236 4331 3836 302e  39,-215.26C1860.\n-0000b350: 3339 2c2d 3230 392e 3634 2032 3136 372e  39,-209.64 2167.\n-0000b360: 3633 2c2d 3139 312e 3335 2032 3432 312e  63,-191.35 2421.\n-0000b370: 3536 2c2d 3136 382e 3631 2032 3433 382e  56,-168.61 2438.\n-0000b380: 382c 2d31 3637 2e30 3720 3234 3537 2e34  8,-167.07 2457.4\n-0000b390: 382c 2d31 3635 2e31 3420 3234 3734 2e39  8,-165.14 2474.9\n-0000b3a0: 382c 2d31 3633 2e32 3622 2f3e 0a3c 706f  8,-163.26\"/>.<po\n-0000b3b0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0000b3c0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0000b3d0: 3266 6363 2220 706f 696e 7473 3d22 3234  2fcc\" points=\"24\n-0000b3e0: 3735 2e35 362c 2d31 3636 2e37 3220 3234  75.56,-166.72 24\n-0000b3f0: 3835 2e31 332c 2d31 3632 2e31 3720 3234  85.13,-162.17 24\n-0000b400: 3734 2e38 312c 2d31 3539 2e37 3620 3234  74.81,-159.76 24\n-0000b410: 3735 2e35 362c 2d31 3636 2e37 3222 2f3e  75.56,-166.72\"/>\n-0000b420: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000b430: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000b440: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000b450: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0000b460: 6473 7061 6e20 2d2d 3e0a 3c67 2069 643d  dspan -->.<g id=\n-0000b470: 2265 6467 6535 3422 2063 6c61 7373 3d22  \"edge54\" class=\"\n-0000b480: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0000b490: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000b4a0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-0000b4b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b4c0: 735f 6d64 7370 616e 3c2f 7469 746c 653e  s_mdspan</title>\n-0000b4d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000b4e0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-0000b4f0: 643d 224d 3137 3132 2e34 332c 2d32 3133  d=\"M1712.43,-213\n-0000b500: 2e36 3543 3135 3937 2e38 362c 2d31 3939  .65C1597.86,-199\n-0000b510: 2e33 3420 3131 3538 2e31 362c 2d31 3434  .34 1158.16,-144\n-0000b520: 2e34 3620 3131 3238 2e35 362c 2d31 3431  .46 1128.56,-141\n-0000b530: 2e37 3420 3834 312e 3736 2c2d 3131 352e  .74 841.76,-115.\n-0000b540: 3432 2034 3935 2e38 332c 2d31 3030 2e30  42 495.83,-100.0\n-0000b550: 3220 3337 332e 3239 2c2d 3935 2e30 3722  2 373.29,-95.07\"\n-0000b560: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000b570: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-0000b580: 6564 2220 706f 696e 7473 3d22 3337 332e  ed\" points=\"373.\n-0000b590: 3238 2c2d 3931 2e35 3720 3336 332e 3135  28,-91.57 363.15\n-0000b5a0: 2c2d 3934 2e36 3720 3337 332c 2d39 382e  ,-94.67 373,-98.\n-0000b5b0: 3536 2033 3733 2e32 382c 2d39 312e 3537  56 373.28,-91.57\n-0000b5c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000b5d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000b5e0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-0000b5f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b600: 735f 636f 6d70 6174 202d 2d3e 0a3c 6720  s_compat -->.<g \n-0000b610: 6964 3d22 6564 6765 3539 2220 636c 6173  id=\"edge59\" clas\n-0000b620: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000b630: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000b640: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-0000b650: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000b660: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974  macs_compat</tit\n-0000b670: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0000b680: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0000b690: 3832 6663 6322 2064 3d22 4d31 3736 362e  82fcc\" d=\"M1766.\n-0000b6a0: 3638 2c2d 3231 332e 3943 3138 3532 2e33  68,-213.9C1852.3\n-0000b6b0: 352c 2d32 3033 2e39 3720 3231 3137 2e36  5,-203.97 2117.6\n-0000b6c0: 332c 2d31 3733 2e32 3120 3232 3231 2e38  3,-173.21 2221.8\n-0000b6d0: 372c 2d31 3631 2e31 3222 2f3e 0a3c 706f  7,-161.12\"/>.<po\n-0000b6e0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0000b6f0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0000b700: 3266 6363 2220 706f 696e 7473 3d22 3232  2fcc\" points=\"22\n-0000b710: 3232 2e35 2c2d 3136 342e 3538 2032 3233  22.5,-164.58 223\n-0000b720: 322e 3033 2c2d 3135 392e 3935 2032 3232  2.03,-159.95 222\n-0000b730: 312e 3639 2c2d 3135 372e 3632 2032 3232  1.69,-157.62 222\n-0000b740: 322e 352c 2d31 3634 2e35 3822 2f3e 0a3c  2.5,-164.58\"/>.<\n-0000b750: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000b760: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-0000b770: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-0000b780: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n-0000b790: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564  ld -->.<g id=\"ed\n-0000b7a0: 6765 3531 2220 636c 6173 733d 2265 6467  ge51\" class=\"edg\n-0000b7b0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000b7c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000b7d0: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000b7e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000b7f0: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061  wald</title>.<pa\n-0000b800: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000b810: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-0000b820: 3137 3131 2e39 322c 2d32 3231 2e31 3443  1711.92,-221.14C\n-0000b830: 3135 3833 2e34 382c 2d32 3330 2e33 3820  1583.48,-230.38 \n-0000b840: 3130 3436 2e30 362c 2d32 3637 2e35 3220  1046.06,-267.52 \n-0000b850: 3839 362e 3939 2c2d 3237 372e 3436 222f  896.99,-277.46\"/\n-0000b860: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000b870: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n-0000b880: 6422 2070 6f69 6e74 733d 2238 3936 2e36  d\" points=\"896.6\n-0000b890: 382c 2d32 3733 2e39 3720 3838 362e 3933  8,-273.97 886.93\n-0000b8a0: 2c2d 3237 382e 3133 2038 3937 2e31 342c  ,-278.13 897.14,\n-0000b8b0: 2d32 3830 2e39 3620 3839 362e 3638 2c2d  -280.96 896.68,-\n-0000b8c0: 3237 332e 3937 222f 3e0a 3c2f 673e 0a3c  273.97\"/>.</g>.<\n-0000b8d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000b8e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-0000b8f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000b900: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n-0000b910: 7279 202d 2d3e 0a3c 6720 6964 3d22 6564  ry -->.<g id=\"ed\n-0000b920: 6765 3633 2220 636c 6173 733d 2265 6467  ge63\" class=\"edg\n-0000b930: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000b940: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000b950: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000b960: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0000b970: 7261 6a65 6374 6f72 793c 2f74 6974 6c65  rajectory</title\n-0000b980: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0000b990: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-0000b9a0: 6662 6622 2064 3d22 4d31 3731 312e 3434  fbf\" d=\"M1711.44\n-0000b9b0: 2c2d 3231 352e 3732 4331 3534 372e 3434  ,-215.72C1547.44\n-0000b9c0: 2c2d 3230 372e 3937 2037 3134 2e33 392c  ,-207.97 714.39,\n-0000b9d0: 2d31 3638 2e36 3320 3530 302e 3631 2c2d  -168.63 500.61,-\n-0000b9e0: 3135 382e 3534 222f 3e0a 3c70 6f6c 7967  158.54\"/>.<polyg\n-0000b9f0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-0000ba00: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0000ba10: 6622 2070 6f69 6e74 733d 2235 3030 2e37  f\" points=\"500.7\n-0000ba20: 372c 2d31 3535 2e30 3420 3439 302e 3631  7,-155.04 490.61\n-0000ba30: 2c2d 3135 382e 3037 2035 3030 2e34 332c  ,-158.07 500.43,\n-0000ba40: 2d31 3632 2e30 3320 3530 302e 3737 2c2d  -162.03 500.77,-\n-0000ba50: 3135 352e 3034 222f 3e0a 3c2f 673e 0a3c  155.04\"/>.</g>.<\n-0000ba60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000ba70: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-0000ba80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000ba90: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n-0000baa0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3532  ->.<g id=\"edge52\n-0000bab0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000bac0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000bad0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-0000bae0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000baf0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-0000bb00: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-0000bb10: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000bb20: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0000bb30: 4d31 3731 312e 3536 2c2d 3232 302e 3037  M1711.56,-220.07\n-0000bb40: 4331 3634 382e 3332 2c2d 3232 322e 3837  C1648.32,-222.87\n-0000bb50: 2031 3439 382e 3134 2c2d 3233 322e 3931   1498.14,-232.91\n-0000bb60: 2031 3436 322e 3536 2c2d 3236 372e 3438   1462.56,-267.48\n-0000bb70: 2031 3433 382e 3038 2c2d 3239 312e 3236   1438.08,-291.26\n-0000bb80: 2031 3434 372e 3536 2c2d 3330 382e 3636   1447.56,-308.66\n-0000bb90: 2031 3434 372e 3536 2c2d 3334 322e 3739   1447.56,-342.79\n-0000bba0: 2031 3434 372e 3536 2c2d 3430 372e 3636   1447.56,-407.66\n-0000bbb0: 2031 3434 372e 3536 2c2d 3430 372e 3636   1447.56,-407.66\n-0000bbc0: 2031 3434 372e 3536 2c2d 3430 372e 3636   1447.56,-407.66\n-0000bbd0: 2031 3434 372e 3536 2c2d 3535 332e 3134   1447.56,-553.14\n-0000bbe0: 2031 3432 332e 3034 2c2d 3539 352e 3632   1423.04,-595.62\n-0000bbf0: 2031 3436 362e 3536 2c2d 3733 342e 3434   1466.56,-734.44\n-0000bc00: 2031 3437 352e 3731 2c2d 3736 332e 3633   1475.71,-763.63\n-0000bc10: 2031 3437 372e 3239 2c2d 3737 322e 3036   1477.29,-772.06\n-0000bc20: 2031 3439 342e 3536 2c2d 3739 372e 3331   1494.56,-797.31\n-0000bc30: 2031 3530 312e 3635 2c2d 3830 372e 3638   1501.65,-807.68\n-0000bc40: 2031 3531 312e 3131 2c2d 3831 372e 3737   1511.11,-817.77\n-0000bc50: 2031 3531 392e 3131 2c2d 3832 362e 3034   1519.11,-826.04\n-0000bc60: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0000bc70: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0000bc80: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0000bc90: 6e74 733d 2231 3531 362e 3734 2c2d 3832  nts=\"1516.74,-82\n-0000bca0: 382e 3632 2031 3532 362e 3232 2c2d 3833  8.62 1526.22,-83\n-0000bcb0: 332e 3335 2031 3532 312e 3736 2c2d 3832  3.35 1521.76,-82\n-0000bcc0: 332e 3734 2031 3531 362e 3734 2c2d 3832  3.74 1516.74,-82\n-0000bcd0: 382e 3632 222f 3e0a 3c2f 673e 0a3c 212d  8.62\"/>.</g>.<!-\n-0000bce0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000bcf0: 6d61 6373 5f72 616e 646f 6d20 2d2d 3e0a  macs_random -->.\n-0000bd00: 3c67 2069 643d 226e 6f64 6534 3122 2063  <g id=\"node41\" c\n-0000bd10: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n-0000bd20: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0000bd30: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74  romacs_random</t\n-0000bd40: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n-0000bd50: 6f64 6534 3122 3e3c 6120 786c 696e 6b3a  ode41\"><a xlink:\n-0000bd60: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n-0000bd70: 756c 655f 5f72 616e 646f 6d2e 7868 746d  ule__random.xhtm\n-0000bd80: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-0000bd90: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7261   xlink:title=\"ra\n-0000bda0: 6e64 6f6d 223e 0a3c 656c 6c69 7073 6520  ndom\">.<ellipse \n-0000bdb0: 6669 6c6c 3d22 2366 6665 3463 6322 2073  fill=\"#ffe4cc\" s\n-0000bdc0: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-0000bdd0: 3d22 3831 302e 3536 2220 6379 3d22 2d31  =\"810.56\" cy=\"-1\n-0000bde0: 3535 2e31 3822 2072 783d 2233 342e 3822  55.18\" rx=\"34.8\"\n-0000bdf0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-0000be00: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-0000be10: 226d 6964 646c 6522 2078 3d22 3831 302e  \"middle\" x=\"810.\n-0000be20: 3536 2220 793d 222d 3135 322e 3638 2220  56\" y=\"-152.68\" \n-0000be30: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-0000be40: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-0000be50: 3d22 3130 2e30 3022 3e72 616e 646f 6d3c  =\"10.00\">random<\n-0000be60: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-0000be70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000be80: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000be90: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000bea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-0000beb0: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n-0000bec0: 2265 6467 6535 3522 2063 6c61 7373 3d22  \"edge55\" class=\"\n-0000bed0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0000bee0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000bef0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-0000bf00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000bf10: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e  s_random</title>\n-0000bf20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000bf30: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" stroke=\"black\n-0000bf40: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000bf50: 6179 3d22 352c 3222 2064 3d22 4d31 3731  ay=\"5,2\" d=\"M171\n-0000bf60: 312e 3736 2c2d 3231 352e 3232 4331 3537  1.76,-215.22C157\n-0000bf70: 392e 3835 2c2d 3230 362e 3538 2031 3031  9.85,-206.58 101\n-0000bf80: 362e 3833 2c2d 3136 392e 3639 2038 3534  6.83,-169.69 854\n-0000bf90: 2e35 322c 2d31 3539 2e30 3622 2f3e 0a3c  .52,-159.06\"/>.<\n-0000bfa0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n-0000bfb0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n-0000bfc0: 636b 2220 706f 696e 7473 3d22 3835 342e  ck\" points=\"854.\n-0000bfd0: 3632 2c2d 3135 352e 3535 2038 3434 2e34  62,-155.55 844.4\n-0000bfe0: 312c 2d31 3538 2e33 3920 3835 342e 3136  1,-158.39 854.16\n-0000bff0: 2c2d 3136 322e 3534 2038 3534 2e36 322c  ,-162.54 854.62,\n-0000c000: 2d31 3535 2e35 3522 2f3e 0a3c 2f67 3e0a  -155.55\"/>.</g>.\n-0000c010: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000c020: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-0000c030: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000c040: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n-0000c050: 666f 7263 6573 202d 2d3e 0a3c 6720 6964  forces -->.<g id\n-0000c060: 3d22 6564 6765 3537 2220 636c 6173 733d  =\"edge57\" class=\n-0000c070: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000c080: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c090: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n-0000c0a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000c0b0: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-0000c0c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000c0d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000c0e0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0000c0f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0000c100: 3222 2064 3d22 4d31 3736 382e 3031 2c2d  2\" d=\"M1768.01,-\n-0000c110: 3231 392e 3338 4331 3832 362e 3639 2c2d  219.38C1826.69,-\n-0000c120: 3232 302e 3832 2031 3936 332e 3534 2c2d  220.82 1963.54,-\n-0000c130: 3232 382e 3339 2032 3036 392e 3536 2c2d  228.39 2069.56,-\n-0000c140: 3236 372e 3438 2032 3131 392e 3137 2c2d  267.48 2119.17,-\n-0000c150: 3238 352e 3737 2032 3132 382e 3831 2c2d  285.77 2128.81,-\n-0000c160: 3239 372e 3920 3231 3730 2e35 362c 2d33  297.9 2170.56,-3\n-0000c170: 3330 2e33 3520 3231 3834 2e31 382c 2d33  30.35 2184.18,-3\n-0000c180: 3430 2e39 3420 3231 3833 2e37 332c 2d33  40.94 2183.73,-3\n-0000c190: 3438 2e34 3220 3231 3938 2e35 362c 2d33  48.42 2198.56,-3\n-0000c1a0: 3537 2e32 3220 3232 3434 2e32 362c 2d33  57.22 2244.26,-3\n-0000c1b0: 3834 2e33 3320 3232 3636 2e39 312c 2d33  84.33 2266.91,-3\n-0000c1c0: 3636 2e30 3320 3233 3132 2e35 362c 2d33  66.03 2312.56,-3\n-0000c1d0: 3933 2e32 3220 3233 3437 2e30 392c 2d34  93.22 2347.09,-4\n-0000c1e0: 3133 2e37 3920 3233 3439 2e33 362c 2d34  13.79 2349.36,-4\n-0000c1f0: 3237 2e34 3620 3233 3737 2e35 362c 2d34  27.46 2377.56,-4\n-0000c200: 3536 2e30 3920 3234 3034 2e34 352c 2d34  56.09 2404.45,-4\n-0000c210: 3833 2e33 3920 3234 3131 2e33 362c 2d34  83.39 2411.36,-4\n-0000c220: 3930 2e30 3920 3234 3336 2e35 362c 2d35  90.09 2436.56,-5\n-0000c230: 3138 2e39 3620 3234 3738 2e39 312c 2d35  18.96 2478.91,-5\n-0000c240: 3637 2e34 3820 3234 3938 2e32 322c 2d35  67.48 2498.22,-5\n-0000c250: 3831 2e31 3420 3235 3038 2e35 362c 2d36  81.14 2508.56,-6\n-0000c260: 3434 2e37 2032 3532 342c 2d37 3339 2e36  44.7 2524,-739.6\n-0000c270: 3320 3235 3531 2e37 372c 2d37 3837 2e36  3 2551.77,-787.6\n-0000c280: 3920 3234 3838 2e35 362c 2d38 3630 2e31  9 2488.56,-860.1\n-0000c290: 3820 3234 3435 2e38 352c 2d39 3039 2e31  8 2445.85,-909.1\n-0000c2a0: 3620 3234 3139 2e30 352c 2d39 3035 2e32  6 2419.05,-905.2\n-0000c2b0: 3420 3233 3536 2e35 362c 2d39 3233 2e30  4 2356.56,-923.0\n-0000c2c0: 3520 3232 3233 2e38 342c 2d39 3630 2e38  5 2223.84,-960.8\n-0000c2d0: 3820 3230 3630 2e35 2c2d 3936 392e 3431  8 2060.5,-969.41\n-0000c2e0: 2031 3937 332e 3536 2c2d 3937 312e 3138   1973.56,-971.18\n-0000c2f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0000c300: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0000c310: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0000c320: 6e74 733d 2231 3937 332e 3238 2c2d 3936  nts=\"1973.28,-96\n-0000c330: 372e 3638 2031 3936 332e 3335 2c2d 3937  7.68 1963.35,-97\n-0000c340: 312e 3336 2031 3937 332e 3431 2c2d 3937  1.36 1973.41,-97\n-0000c350: 342e 3638 2031 3937 332e 3238 2c2d 3936  4.68 1973.28,-96\n-0000c360: 372e 3638 222f 3e0a 3c2f 673e 0a3c 212d  7.68\"/>.</g>.<!-\n-0000c370: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000c380: 6d61 6373 5f6d 646c 6962 2623 3435 3b26  macs_mdlib&#45;&\n-0000c390: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0000c3a0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-0000c3b0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n-0000c3c0: 6765 3439 2220 636c 6173 733d 2265 6467  ge49\" class=\"edg\n-0000c3d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000c3e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000c3f0: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0000c400: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0000c410: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n-0000c420: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0000c430: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0000c440: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-0000c450: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0000c460: 224d 3137 3637 2e34 362c 2d32 3231 2e30  \"M1767.46,-221.0\n-0000c470: 3343 3138 3138 2e38 372c 2d32 3235 2e33  3C1818.87,-225.3\n-0000c480: 2031 3933 312e 3534 2c2d 3233 372e 3532   1931.54,-237.52\n-0000c490: 2032 3032 312e 3536 2c2d 3236 372e 3438   2021.56,-267.48\n-0000c4a0: 2032 3037 392e 3831 2c2d 3238 362e 3837   2079.81,-286.87\n-0000c4b0: 2032 3039 352e 3537 2c2d 3239 332e 3334   2095.57,-293.34\n-0000c4c0: 2032 3134 342e 3536 2c2d 3333 302e 3335   2144.56,-330.35\n-0000c4d0: 2032 3135 372e 3538 2c2d 3334 302e 3138   2157.58,-340.18\n-0000c4e0: 2032 3135 352e 3832 2c2d 3334 382e 3433   2155.82,-348.43\n-0000c4f0: 2032 3136 392e 3536 2c2d 3335 372e 3232   2169.56,-357.22\n-0000c500: 2032 3231 322e 392c 2d33 3834 2e39 3320   2212.9,-384.93 \n-0000c510: 3232 3334 2e38 342c 2d33 3637 2e37 3920  2234.84,-367.79 \n-0000c520: 3232 3739 2e35 362c 2d33 3933 2e32 3220  2279.56,-393.22 \n-0000c530: 3233 3432 2e33 362c 2d34 3238 2e39 3320  2342.36,-428.93 \n-0000c540: 3233 3633 2e37 392c 2d34 3439 2e32 2032  2363.79,-449.2 2\n-0000c550: 3338 322e 3536 2c2d 3531 382e 3936 2032  382.56,-518.96 2\n-0000c560: 3438 302e 372c 2d38 3833 2e37 3620 3234  480.7,-883.76 24\n-0000c570: 3131 2e32 372c 2d37 3830 2e37 3820 3233  11.27,-780.78 23\n-0000c580: 3939 2e35 362c 2d37 3937 2e33 3120 3233  99.56,-797.31 23\n-0000c590: 3634 2e38 362c 2d38 3436 2e32 3720 3231  64.86,-846.27 21\n-0000c5a0: 3930 2e34 322c 2d38 3834 2e30 3520 3231  90.42,-884.05 21\n-0000c5b0: 3033 2e36 382c 2d39 3030 2e31 3422 2f3e  03.68,-900.14\"/>\n-0000c5c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000c5d0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-0000c5e0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-0000c5f0: 3d22 3231 3033 2e30 312c 2d38 3936 2e37  =\"2103.01,-896.7\n-0000c600: 3120 3230 3933 2e38 2c2d 3930 312e 3935  1 2093.8,-901.95\n-0000c610: 2032 3130 342e 3237 2c2d 3930 332e 3539   2104.27,-903.59\n-0000c620: 2032 3130 332e 3031 2c2d 3839 362e 3731   2103.01,-896.71\n-0000c630: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000c640: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000c650: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-0000c660: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c670: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0000c680: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n-0000c690: 6564 6765 3631 2220 636c 6173 733d 2265  edge61\" class=\"e\n-0000c6a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0000c6b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000c6c0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+0000b100: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n+0000b110: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n+0000b120: 615f 6e6f 6465 3136 223e 3c61 2078 6c69  a_node16\"><a xli\n+0000b130: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n+0000b140: 6d6f 6475 6c65 5f5f 7461 736b 6173 7369  module__taskassi\n+0000b150: 676e 6d65 6e74 2e78 6874 6d6c 2220 7461  gnment.xhtml\" ta\n+0000b160: 7267 6574 3d22 5f74 6f70 2220 786c 696e  rget=\"_top\" xlin\n+0000b170: 6b3a 7469 746c 653d 2274 6173 6b61 7373  k:title=\"taskass\n+0000b180: 6967 6e6d 656e 7422 3e0a 3c65 6c6c 6970  ignment\">.<ellip\n+0000b190: 7365 2066 696c 6c3d 2223 6535 6363 6666  se fill=\"#e5ccff\n+0000b1a0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+0000b1b0: 2063 783d 2235 3439 2220 6379 3d22 2d34   cx=\"549\" cy=\"-4\n+0000b1c0: 3639 2e35 3322 2072 783d 2236 302e 3632  69.53\" rx=\"60.62\n+0000b1d0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+0000b1e0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+0000b1f0: 3d22 6d69 6464 6c65 2220 783d 2235 3439  =\"middle\" x=\"549\n+0000b200: 2220 793d 222d 3436 372e 3033 2220 666f  \" y=\"-467.03\" fo\n+0000b210: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n+0000b220: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n+0000b230: 3130 2e30 3022 3e74 6173 6b61 7373 6967  10.00\">taskassig\n+0000b240: 6e6d 656e 743c 2f74 6578 743e 0a3c 2f61  nment</text>.</a\n+0000b250: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+0000b260: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000b270: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+0000b280: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000b290: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n+0000b2a0: 656e 7420 2d2d 3e0a 3c67 2069 643d 2265  ent -->.<g id=\"e\n+0000b2b0: 6467 6538 3022 2063 6c61 7373 3d22 6564  dge80\" class=\"ed\n+0000b2c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0000b2d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000b2e0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0000b2f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000b300: 7461 736b 6173 7369 676e 6d65 6e74 3c2f  taskassignment</\n+0000b310: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000b320: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000b330: 2272 6564 2220 643d 224d 3132 3233 2e32  \"red\" d=\"M1223.2\n+0000b340: 392c 2d35 3932 2e35 3143 3131 3632 2e37  9,-592.51C1162.7\n+0000b350: 372c 2d35 3838 2e34 3820 3130 3234 2e32  7,-588.48 1024.2\n+0000b360: 332c 2d35 3736 2e34 3520 3931 322c 2d35  3,-576.45 912,-5\n+0000b370: 3435 2e38 3320 3838 312e 3834 2c2d 3533  45.83 881.84,-53\n+0000b380: 372e 3620 3837 372e 3037 2c2d 3532 372e  7.6 877.07,-527.\n+0000b390: 3520 3834 372c 2d35 3138 2e39 3620 3736  5 847,-518.96 76\n+0000b3a0: 382e 3233 2c2d 3439 362e 3620 3637 342e  8.23,-496.6 674.\n+0000b3b0: 3633 2c2d 3438 332e 3520 3631 332e 3633  63,-483.5 613.63\n+0000b3c0: 2c2d 3437 362e 3638 222f 3e0a 3c70 6f6c  ,-476.68\"/>.<pol\n+0000b3d0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+0000b3e0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+0000b3f0: 6e74 733d 2236 3133 2e37 2c2d 3437 332e  nts=\"613.7,-473.\n+0000b400: 3136 2036 3033 2e33 382c 2d34 3735 2e35  16 603.38,-475.5\n+0000b410: 3520 3631 322e 3934 2c2d 3438 302e 3132  5 612.94,-480.12\n+0000b420: 2036 3133 2e37 2c2d 3437 332e 3136 222f   613.7,-473.16\"/\n+0000b430: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000b440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000b450: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0000b460: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000b470: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d  listed_forces --\n+0000b480: 3e0a 3c67 2069 643d 2265 6467 6537 3422  >.<g id=\"edge74\"\n+0000b490: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000b4a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000b4b0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+0000b4c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000b4d0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+0000b4e0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n+0000b4f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000b500: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000b510: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0000b520: 7261 793d 2235 2c32 2220 643d 224d 3132  ray=\"5,2\" d=\"M12\n+0000b530: 3530 2e33 372c 2d35 3831 2e35 3743 3132  50.37,-581.57C12\n+0000b540: 3437 2e36 332c 2d35 3731 2e38 3320 3132  47.63,-571.83 12\n+0000b550: 3433 2e38 382c 2d35 3538 2e30 3320 3132  43.88,-558.03 12\n+0000b560: 3431 2c2d 3534 352e 3833 2031 3232 362e  41,-545.83 1226.\n+0000b570: 3331 2c2d 3438 332e 3539 2031 3231 342e  31,-483.59 1214.\n+0000b580: 3939 2c2d 3331 302e 3836 2031 3136 382c  99,-310.86 1168,\n+0000b590: 2d32 3637 2e34 3820 3131 3038 2e35 2c2d  -267.48 1108.5,-\n+0000b5a0: 3231 322e 3535 2031 3037 362e 3232 2c2d  212.55 1076.22,-\n+0000b5b0: 3232 312e 3338 2039 3937 2c2d 3230 342e  221.38 997,-204.\n+0000b5c0: 3631 2038 3636 2e36 392c 2d31 3737 2e30  61 866.69,-177.0\n+0000b5d0: 3220 3436 352e 3432 2c2d 3136 322e 3531  2 465.42,-162.51\n+0000b5e0: 2033 3132 2e32 362c 2d31 3537 2e38 3622   312.26,-157.86\"\n+0000b5f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000b600: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0000b610: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+0000b620: 7473 3d22 3331 322e 322c 2d31 3534 2e33  ts=\"312.2,-154.3\n+0000b630: 3620 3330 322e 312c 2d31 3537 2e35 3620  6 302.1,-157.56 \n+0000b640: 3331 312e 3939 2c2d 3136 312e 3336 2033  311.99,-161.36 3\n+0000b650: 3132 2e32 2c2d 3135 342e 3336 222f 3e0a  12.2,-154.36\"/>.\n+0000b660: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0000b670: 5f73 7263 5f67 726f 6d61 6373 5f6d 696d  _src_gromacs_mim\n+0000b680: 6963 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ic -->.<g id=\"no\n+0000b690: 6465 3139 2220 636c 6173 733d 226e 6f64  de19\" class=\"nod\n+0000b6a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000b6b0: 655f 7372 635f 6772 6f6d 6163 735f 6d69  e_src_gromacs_mi\n+0000b6c0: 6d69 633c 2f74 6974 6c65 3e0a 3c65 6c6c  mic</title>.<ell\n+0000b6d0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+0000b6e0: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+0000b6f0: 6b22 2063 783d 2231 3430 3122 2063 793d  k\" cx=\"1401\" cy=\n+0000b700: 222d 3430 362e 3636 2220 7278 3d22 3330  \"-406.66\" rx=\"30\n+0000b710: 2e33 3122 2072 793d 2231 332e 3337 222f  .31\" ry=\"13.37\"/\n+0000b720: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0000b730: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0000b740: 3134 3031 2220 793d 222d 3430 342e 3136  1401\" y=\"-404.16\n+0000b750: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+0000b760: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+0000b770: 7a65 3d22 3130 2e30 3022 3e6d 696d 6963  ze=\"10.00\">mimic\n+0000b780: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n+0000b790: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000b7a0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0000b7b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000b7c0: 6f6d 6163 735f 6d69 6d69 6320 2d2d 3e0a  omacs_mimic -->.\n+0000b7d0: 3c67 2069 643d 2265 6467 6538 3522 2063  <g id=\"edge85\" c\n+0000b7e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000b7f0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000b800: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0000b810: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000b820: 6772 6f6d 6163 735f 6d69 6d69 633c 2f74  gromacs_mimic</t\n+0000b830: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000b840: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000b850: 2362 6662 6662 6622 2064 3d22 4d31 3237  #bfbfbf\" d=\"M127\n+0000b860: 372e 3434 2c2d 3538 362e 3131 4331 3239  7.44,-586.11C129\n+0000b870: 362e 3731 2c2d 3537 382e 3337 2031 3332  6.71,-578.37 132\n+0000b880: 332e 3539 2c2d 3536 352e 3035 2031 3334  3.59,-565.05 134\n+0000b890: 312c 2d35 3435 2e38 3320 3133 3731 2e38  1,-545.83 1371.8\n+0000b8a0: 312c 2d35 3131 2e38 3320 3133 3838 2e35  1,-511.83 1388.5\n+0000b8b0: 372c 2d34 3539 2e35 3320 3133 3936 2e30  7,-459.53 1396.0\n+0000b8c0: 372c 2d34 3239 2e39 3922 2f3e 0a3c 706f  7,-429.99\"/>.<po\n+0000b8d0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+0000b8e0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+0000b8f0: 6266 6266 2220 706f 696e 7473 3d22 3133  bfbf\" points=\"13\n+0000b900: 3939 2e34 392c 2d34 3330 2e37 3520 3133  99.49,-430.75 13\n+0000b910: 3938 2e34 322c 2d34 3230 2e32 3120 3133  98.42,-420.21 13\n+0000b920: 3932 2e36 382c 2d34 3239 2e31 3120 3133  92.68,-429.11 13\n+0000b930: 3939 2e34 392c 2d34 3330 2e37 3522 2f3e  99.49,-430.75\"/>\n+0000b940: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000b950: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n+0000b960: 6c6c 696e 6720 2d2d 3e0a 3c67 2069 643d  lling -->.<g id=\n+0000b970: 226e 6f64 6532 3022 2063 6c61 7373 3d22  \"node20\" class=\"\n+0000b980: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+0000b990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000b9a0: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e  _pulling</title>\n+0000b9b0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+0000b9c0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0000b9d0: 2262 6c61 636b 2220 6378 3d22 3130 3832  \"black\" cx=\"1082\n+0000b9e0: 2220 6379 3d22 2d34 3639 2e35 3322 2072  \" cy=\"-469.53\" r\n+0000b9f0: 783d 2233 312e 3233 2220 7279 3d22 3133  x=\"31.23\" ry=\"13\n+0000ba00: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+0000ba10: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+0000ba20: 2220 783d 2231 3038 3222 2079 3d22 2d34  \" x=\"1082\" y=\"-4\n+0000ba30: 3637 2e30 3322 2066 6f6e 742d 6661 6d69  67.03\" font-fami\n+0000ba40: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+0000ba50: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+0000ba60: 7075 6c6c 696e 673c 2f74 6578 743e 0a3c  pulling</text>.<\n+0000ba70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000ba80: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+0000ba90: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+0000baa0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c  _src_gromacs_pul\n+0000bab0: 6c69 6e67 202d 2d3e 0a3c 6720 6964 3d22  ling -->.<g id=\"\n+0000bac0: 6564 6765 3738 2220 636c 6173 733d 2265  edge78\" class=\"e\n+0000bad0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000bae0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000baf0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0000bb00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000bb10: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e  _pulling</title>\n+0000bb20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000bb30: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000bb40: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000bb50: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0000bb60: 3235 312e 3933 2c2d 3538 312e 3843 3132  251.93,-581.8C12\n+0000bb70: 3438 2e35 352c 2d35 3635 2e32 3220 3132  48.55,-565.22 12\n+0000bb80: 3430 2e32 382c 2d35 3336 2e30 3220 3132  40.28,-536.02 12\n+0000bb90: 3232 2c2d 3531 382e 3936 2031 3230 362e  22,-518.96 1206.\n+0000bba0: 3636 2c2d 3530 342e 3634 2031 3135 342e  66,-504.64 1154.\n+0000bbb0: 3031 2c2d 3438 382e 3920 3131 3137 2e38  01,-488.9 1117.8\n+0000bbc0: 332c 2d34 3739 2e33 3722 2f3e 0a3c 706f  3,-479.37\"/>.<po\n+0000bbd0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+0000bbe0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+0000bbf0: 3266 6363 2220 706f 696e 7473 3d22 3131  2fcc\" points=\"11\n+0000bc00: 3138 2e36 372c 2d34 3735 2e39 3720 3131  18.67,-475.97 11\n+0000bc10: 3038 2e31 312c 2d34 3736 2e38 3520 3131  08.11,-476.85 11\n+0000bc20: 3136 2e39 312c 2d34 3832 2e37 3420 3131  16.91,-482.74 11\n+0000bc30: 3138 2e36 372c 2d34 3735 2e39 3722 2f3e  18.67,-475.97\"/>\n+0000bc40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000bc50: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000bc60: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000bc70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0000bc80: 6f6d 7061 7420 2d2d 3e0a 3c67 2069 643d  ompat -->.<g id=\n+0000bc90: 2265 6467 6538 3122 2063 6c61 7373 3d22  \"edge81\" class=\"\n+0000bca0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000bcb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000bcc0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0000bcd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000bce0: 735f 636f 6d70 6174 3c2f 7469 746c 653e  s_compat</title>\n+0000bcf0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000bd00: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000bd10: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000bd20: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0000bd30: 3237 382e 3238 2c2d 3538 362e 3834 4331  278.28,-586.84C1\n+0000bd40: 3330 332e 3537 2c2d 3537 382e 3631 2031  303.57,-578.61 1\n+0000bd50: 3334 332e 3839 2c2d 3536 342e 3035 2031  343.89,-564.05 1\n+0000bd60: 3337 362c 2d35 3435 2e38 3320 3135 3039  376,-545.83 1509\n+0000bd70: 2e36 342c 2d34 3639 2e39 3920 3136 3438  .64,-469.99 1648\n+0000bd80: 2e38 382c 2d33 3437 2e32 3920 3136 3939  .88,-347.29 1699\n+0000bd90: 2e38 322c 2d33 3030 2e36 3822 2f3e 0a3c  .82,-300.68\"/>.<\n+0000bda0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+0000bdb0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+0000bdc0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+0000bdd0: 3137 3032 2e35 2c2d 3330 322e 3938 2031  1702.5,-302.98 1\n+0000bde0: 3730 372e 3439 2c2d 3239 332e 3633 2031  707.49,-293.63 1\n+0000bdf0: 3639 372e 3736 2c2d 3239 372e 3832 2031  697.76,-297.82 1\n+0000be00: 3730 322e 352c 2d33 3032 2e39 3822 2f3e  702.5,-302.98\"/>\n+0000be10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000be20: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n+0000be30: 6475 6c61 7273 696d 756c 6174 6f72 202d  dularsimulator -\n+0000be40: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3232  ->.<g id=\"node22\n+0000be50: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+0000be60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000be70: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n+0000be80: 7273 696d 756c 6174 6f72 3c2f 7469 746c  rsimulator</titl\n+0000be90: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n+0000bea0: 3232 223e 3c61 2078 6c69 6e6b 3a68 7265  22\"><a xlink:hre\n+0000beb0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n+0000bec0: 5f5f 6d6f 6475 6c61 7273 696d 756c 6174  __modularsimulat\n+0000bed0: 6f72 2e78 6874 6d6c 2220 7461 7267 6574  or.xhtml\" target\n+0000bee0: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n+0000bef0: 746c 653d 226d 6f64 756c 6172 7369 6d75  tle=\"modularsimu\n+0000bf00: 6c61 746f 7222 3e0a 3c65 6c6c 6970 7365  lator\">.<ellipse\n+0000bf10: 2066 696c 6c3d 2223 6535 6363 6666 2220   fill=\"#e5ccff\" \n+0000bf20: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+0000bf30: 783d 2237 3733 2220 6379 3d22 2d35 3332  x=\"773\" cy=\"-532\n+0000bf40: 2e34 2220 7278 3d22 3635 2e31 3122 2072  .4\" rx=\"65.11\" r\n+0000bf50: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+0000bf60: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+0000bf70: 6964 646c 6522 2078 3d22 3737 3322 2079  iddle\" x=\"773\" y\n+0000bf80: 3d22 2d35 3239 2e39 2220 666f 6e74 2d66  =\"-529.9\" font-f\n+0000bf90: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+0000bfa0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+0000bfb0: 3022 3e6d 6f64 756c 6172 7369 6d75 6c61  0\">modularsimula\n+0000bfc0: 746f 723c 2f74 6578 743e 0a3c 2f61 3e0a  tor</text>.</a>.\n+0000bfd0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n+0000bfe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000bff0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0000c000: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000c010: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+0000c020: 746f 7220 2d2d 3e0a 3c67 2069 643d 2265  tor -->.<g id=\"e\n+0000c030: 6467 6537 3622 2063 6c61 7373 3d22 6564  dge76\" class=\"ed\n+0000c040: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0000c050: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000c060: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0000c070: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000c080: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+0000c090: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000c0a0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000c0b0: 653d 2272 6564 2220 643d 224d 3132 3234  e=\"red\" d=\"M1224\n+0000c0c0: 2e35 322c 2d35 3930 2e39 3543 3131 3437  .52,-590.95C1147\n+0000c0d0: 2e35 342c 2d35 3831 2e37 3220 3933 392e  .54,-581.72 939.\n+0000c0e0: 3838 2c2d 3535 352e 3520 3833 352e 3132  88,-555.5 835.12\n+0000c0f0: 2c2d 3534 312e 3837 222f 3e0a 3c70 6f6c  ,-541.87\"/>.<pol\n+0000c100: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+0000c110: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+0000c120: 6e74 733d 2238 3335 2e33 372c 2d35 3338  nts=\"835.37,-538\n+0000c130: 2e33 3720 3832 352c 2d35 3430 2e35 3520  .37 825,-540.55 \n+0000c140: 3833 342e 3437 2c2d 3534 352e 3331 2038  834.47,-545.31 8\n+0000c150: 3335 2e33 372c 2d35 3338 2e33 3722 2f3e  35.37,-538.37\"/>\n+0000c160: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000c170: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000c180: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000c190: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000c1a0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+0000c1b0: 6564 6765 3735 2220 636c 6173 733d 2265  edge75\" class=\"e\n+0000c1c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000c1d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000c1e0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0000c1f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000c200: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n+0000c210: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000c220: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+0000c230: 224d 3132 3738 2e33 372c 2d35 3836 2e38  \"M1278.37,-586.8\n+0000c240: 3743 3133 3030 2e34 372c 2d35 3739 2e32  7C1300.47,-579.2\n+0000c250: 3620 3133 3333 2e30 312c 2d35 3635 2e37  6 1333.01,-565.7\n+0000c260: 2031 3335 362c 2d35 3435 2e38 3320 3134   1356,-545.83 14\n+0000c270: 3036 2e38 352c 2d35 3031 2e38 3920 3134  06.85,-501.89 14\n+0000c280: 3230 2e34 392c 2d34 3834 2e34 2031 3434  20.49,-484.4 144\n+0000c290: 302c 2d34 3230 2e30 3920 3134 3433 2e34  0,-420.09 1443.4\n+0000c2a0: 372c 2d34 3038 2e36 3620 3134 3435 2e38  7,-408.66 1445.8\n+0000c2b0: 362c 2d34 3033 2e36 3220 3134 3430 2c2d  6,-403.62 1440,-\n+0000c2c0: 3339 332e 3232 2031 3432 392e 3834 2c2d  393.22 1429.84,-\n+0000c2d0: 3337 352e 3220 3134 3039 2e39 382c 2d33  375.2 1409.98,-3\n+0000c2e0: 3633 2e31 3220 3133 3932 2e35 392c 2d33  63.12 1392.59,-3\n+0000c2f0: 3535 2e35 3322 2f3e 0a3c 706f 6c79 676f  55.53\"/>.<polygo\n+0000c300: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+0000c310: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+0000c320: 3d22 3133 3933 2e38 342c 2d33 3532 2e32  =\"1393.84,-352.2\n+0000c330: 3620 3133 3833 2e32 362c 2d33 3531 2e37  6 1383.26,-351.7\n+0000c340: 3720 3133 3931 2e32 322c 2d33 3538 2e37  7 1391.22,-358.7\n+0000c350: 3520 3133 3933 2e38 342c 2d33 3532 2e32  5 1393.84,-352.2\n+0000c360: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+0000c370: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000c380: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0000c390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000c3a0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n+0000c3b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3637  ->.<g id=\"edge67\n+0000c3c0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000c3d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000c3e0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0000c3f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000c400: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+0000c410: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c  ndline</title>.<\n+0000c420: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000c430: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0000c440: 2220 643d 224d 3132 3833 2e33 372c 2d35  \" d=\"M1283.37,-5\n+0000c450: 3939 2e37 3643 3133 3231 2e31 362c 2d36  99.76C1321.16,-6\n+0000c460: 3035 2e31 3820 3133 3838 2e30 312c 2d36  05.18 1388.01,-6\n+0000c470: 3137 2e39 2031 3433 392c 2d36 3434 2e37  17.9 1439,-644.7\n+0000c480: 2031 3533 312e 3639 2c2d 3639 332e 3433   1531.69,-693.43\n+0000c490: 2031 3631 392e 3033 2c2d 3738 352e 3339   1619.03,-785.39\n+0000c4a0: 2031 3635 342e 3838 2c2d 3832 352e 3832   1654.88,-825.82\n+0000c4b0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000c4c0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0000c4d0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0000c4e0: 6e74 733d 2231 3635 322e 3331 2c2d 3832  nts=\"1652.31,-82\n+0000c4f0: 382e 3220 3136 3631 2e35 342c 2d38 3333  8.2 1661.54,-833\n+0000c500: 2e34 3120 3136 3537 2e35 372c 2d38 3233  .41 1657.57,-823\n+0000c510: 2e35 3920 3136 3532 2e33 312c 2d38 3238  .59 1652.31,-828\n+0000c520: 2e32 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .2\"/>.</g>.<!-- \n+0000c530: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000c540: 6373 5f72 6573 7472 6169 6e74 202d 2d3e  cs_restraint -->\n+0000c550: 0a3c 6720 6964 3d22 6e6f 6465 3237 2220  .<g id=\"node27\" \n+0000c560: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n+0000c570: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000c580: 6772 6f6d 6163 735f 7265 7374 7261 696e  gromacs_restrain\n+0000c590: 743c 2f74 6974 6c65 3e0a 3c67 2069 643d  t</title>.<g id=\n+0000c5a0: 2261 5f6e 6f64 6532 3722 3e3c 6120 786c  \"a_node27\"><a xl\n+0000c5b0: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n+0000c5c0: 5f6d 6f64 756c 655f 5f72 6573 7472 6169  _module__restrai\n+0000c5d0: 6e74 2e78 6874 6d6c 2220 7461 7267 6574  nt.xhtml\" target\n+0000c5e0: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n+0000c5f0: 746c 653d 2272 6573 7472 6169 6e74 223e  tle=\"restraint\">\n+0000c600: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+0000c610: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c  none\" stroke=\"bl\n+0000c620: 6163 6b22 2063 783d 2233 3333 2220 6379  ack\" cx=\"333\" cy\n+0000c630: 3d22 2d35 3332 2e34 2220 7278 3d22 3336  =\"-532.4\" rx=\"36\n+0000c640: 2e35 3422 2072 793d 2231 332e 3337 222f  .54\" ry=\"13.37\"/\n+0000c650: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0000c660: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0000c670: 3333 3322 2079 3d22 2d35 3239 2e39 2220  333\" y=\"-529.9\" \n+0000c680: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+0000c690: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+0000c6a0: 3d22 3130 2e30 3022 3e72 6573 7472 6169  =\"10.00\">restrai\n+0000c6b0: 6e74 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  nt</text>.</a>.<\n+0000c6c0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n 0000c6d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000c6e0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f  _applied_forces_\n-0000c6f0: 6177 683c 2f74 6974 6c65 3e0a 3c70 6174  awh</title>.<pat\n-0000c700: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0000c710: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-0000c720: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-0000c730: 2235 2c32 2220 643d 224d 3137 3131 2e32  \"5,2\" d=\"M1711.2\n-0000c740: 312c 2d32 3139 2e35 3443 3136 3433 2e31  1,-219.54C1643.1\n-0000c750: 312c 2d32 3231 2e33 3220 3134 3733 2e30  1,-221.32 1473.0\n-0000c760: 322c 2d32 3239 2e35 3620 3134 3333 2e35  2,-229.56 1433.5\n-0000c770: 362c 2d32 3637 2e34 3820 3134 3038 2e39  6,-267.48 1408.9\n-0000c780: 362c 2d32 3931 2e31 3320 3134 3138 2e35  6,-291.13 1418.5\n-0000c790: 362c 2d33 3038 2e36 3620 3134 3138 2e35  6,-308.66 1418.5\n-0000c7a0: 362c 2d33 3432 2e37 3920 3134 3138 2e35  6,-342.79 1418.5\n-0000c7b0: 362c 2d34 3037 2e36 3620 3134 3138 2e35  6,-407.66 1418.5\n-0000c7c0: 362c 2d34 3037 2e36 3620 3134 3138 2e35  6,-407.66 1418.5\n-0000c7d0: 362c 2d34 3037 2e36 3620 3134 3138 2e35  6,-407.66 1418.5\n-0000c7e0: 362c 2d35 3239 2e39 3520 3130 3036 2e38  6,-529.95 1006.8\n-0000c7f0: 352c 2d36 3731 2e37 3220 3838 382e 322c  5,-671.72 888.2,\n-0000c800: 2d37 3130 2e30 3422 2f3e 0a3c 706f 6c79  -710.04\"/>.<poly\n-0000c810: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-0000c820: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-0000c830: 6363 2220 706f 696e 7473 3d22 3838 372e  cc\" points=\"887.\n-0000c840: 3034 2c2d 3730 362e 3733 2038 3738 2e35  04,-706.73 878.5\n-0000c850: 392c 2d37 3133 2e31 3220 3838 392e 3138  9,-713.12 889.18\n-0000c860: 2c2d 3731 332e 3420 3838 372e 3034 2c2d  ,-713.4 887.04,-\n-0000c870: 3730 362e 3733 222f 3e0a 3c2f 673e 0a3c  706.73\"/>.</g>.<\n-0000c880: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000c890: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-0000c8a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000c8b0: 7465 7374 7574 696c 7320 2d2d 3e0a 3c67  testutils -->.<g\n-0000c8c0: 2069 643d 2265 6467 6536 3422 2063 6c61   id=\"edge64\" cla\n-0000c8d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0000c8e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0000c8f0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26  macs_mdlib&#45;&\n-0000c900: 6774 3b6d 6f64 756c 655f 7372 635f 7465  gt;module_src_te\n-0000c910: 7374 7574 696c 733c 2f74 6974 6c65 3e0a  stutils</title>.\n-0000c920: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0000c930: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n-0000c940: 3d22 4d31 3736 372e 3932 2c2d 3231 392e  =\"M1767.92,-219.\n-0000c950: 3037 4331 3934 332e 3538 2c2d 3231 392e  07C1943.58,-219.\n-0000c960: 3539 2032 3837 352e 3536 2c2d 3232 372e  59 2875.56,-227.\n-0000c970: 3738 2032 3837 352e 3536 2c2d 3334 322e  78 2875.56,-342.\n-0000c980: 3739 2032 3837 352e 3536 2c2d 3931 302e  79 2875.56,-910.\n-0000c990: 3632 2032 3837 352e 3536 2c2d 3931 302e  62 2875.56,-910.\n-0000c9a0: 3632 2032 3837 352e 3536 2c2d 3931 302e  62 2875.56,-910.\n-0000c9b0: 3632 2032 3837 352e 3536 2c2d 3934 372e  62 2875.56,-947.\n-0000c9c0: 3738 2032 3835 392e 372c 2d39 3838 2e35  78 2859.7,-988.5\n-0000c9d0: 3720 3238 3438 2e34 372c 2d31 3031 322e  7 2848.47,-1012.\n-0000c9e0: 3739 222f 3e0a 3c70 6f6c 7967 6f6e 2066  79\"/>.<polygon f\n-0000c9f0: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n-0000ca00: 3d22 7265 6422 2070 6f69 6e74 733d 2232  =\"red\" points=\"2\n-0000ca10: 3834 352e 3138 2c2d 3130 3131 2e35 3620  845.18,-1011.56 \n-0000ca20: 3238 3434 2e30 312c 2d31 3032 322e 3039  2844.01,-1022.09\n-0000ca30: 2032 3835 312e 3439 2c2d 3130 3134 2e35   2851.49,-1014.5\n-0000ca40: 3920 3238 3435 2e31 382c 2d31 3031 312e  9 2845.18,-1011.\n-0000ca50: 3536 222f 3e0a 3c2f 673e 0a3c 212d 2d20  56\"/>.</g>.<!-- \n-0000ca60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000ca70: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-0000ca80: 7420 2d2d 3e0a 3c67 2069 643d 226e 6f64  t -->.<g id=\"nod\n-0000ca90: 6531 3422 2063 6c61 7373 3d22 6e6f 6465  e14\" class=\"node\n-0000caa0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0000cab0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n-0000cac0: 6b61 7373 6967 6e6d 656e 743c 2f74 6974  kassignment</tit\n-0000cad0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-0000cae0: 6531 3422 3e3c 6120 786c 696e 6b3a 6872  e14\"><a xlink:hr\n-0000caf0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n-0000cb00: 655f 5f74 6173 6b61 7373 6967 6e6d 656e  e__taskassignmen\n-0000cb10: 742e 7868 746d 6c22 2074 6172 6765 743d  t.xhtml\" target=\n-0000cb20: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n-0000cb30: 6c65 3d22 7461 736b 6173 7369 676e 6d65  le=\"taskassignme\n-0000cb40: 6e74 223e 0a3c 656c 6c69 7073 6520 6669  nt\">.<ellipse fi\n-0000cb50: 6c6c 3d22 2365 3563 6366 6622 2073 7472  ll=\"#e5ccff\" str\n-0000cb60: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n-0000cb70: 3230 3734 2e35 3622 2063 793d 222d 3334  2074.56\" cy=\"-34\n-0000cb80: 332e 3739 2220 7278 3d22 3630 2e36 3222  3.79\" rx=\"60.62\"\n-0000cb90: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-0000cba0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-0000cbb0: 226d 6964 646c 6522 2078 3d22 3230 3734  \"middle\" x=\"2074\n-0000cbc0: 2e35 3622 2079 3d22 2d33 3431 2e32 3922  .56\" y=\"-341.29\"\n-0000cbd0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n-0000cbe0: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n-0000cbf0: 653d 2231 302e 3030 223e 7461 736b 6173  e=\"10.00\">taskas\n-0000cc00: 7369 676e 6d65 6e74 3c2f 7465 7874 3e0a  signment</text>.\n-0000cc10: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n-0000cc20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000cc30: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-0000cc40: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-0000cc50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000cc60: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n-0000cc70: 2069 643d 2265 6467 6536 3822 2063 6c61   id=\"edge68\" cla\n-0000cc80: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0000cc90: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0000cca0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n-0000ccb0: 656e 7426 2334 353b 2667 743b 6d6f 6475  ent&#45;&gt;modu\n-0000ccc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n-0000ccd0: 6172 6477 6172 653c 2f74 6974 6c65 3e0a  ardware</title>.\n-0000cce0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0000ccf0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0000cd00: 6622 2064 3d22 4d32 3132 392e 3939 2c2d  f\" d=\"M2129.99,-\n-0000cd10: 3334 392e 3443 3231 3737 2e38 2c2d 3335  349.4C2177.8,-35\n-0000cd20: 352e 3032 2032 3234 372e 3736 2c2d 3336  5.02 2247.76,-36\n-0000cd30: 372e 3231 2032 3330 332e 3536 2c2d 3339  7.21 2303.56,-39\n-0000cd40: 332e 3232 2032 3533 342e 3235 2c2d 3530  3.22 2534.25,-50\n-0000cd50: 302e 3737 2032 3635 342e 3536 2c2d 3539  0.77 2654.56,-59\n-0000cd60: 312e 3231 2032 3635 342e 3536 2c2d 3834  1.21 2654.56,-84\n-0000cd70: 352e 3735 2032 3635 342e 3536 2c2d 3130  5.75 2654.56,-10\n-0000cd80: 3336 2e33 3620 3236 3534 2e35 362c 2d31  36.36 2654.56,-1\n-0000cd90: 3033 362e 3336 2032 3635 342e 3536 2c2d  036.36 2654.56,-\n-0000cda0: 3130 3336 2e33 3620 3236 3534 2e35 362c  1036.36 2654.56,\n-0000cdb0: 2d31 3132 382e 3733 2032 3332 392e 3531  -1128.73 2329.51\n-0000cdc0: 2c2d 3131 3532 2e35 3720 3232 3033 2e30  ,-1152.57 2203.0\n-0000cdd0: 362c 2d31 3135 382e 3336 222f 3e0a 3c70  6,-1158.36\"/>.<p\n-0000cde0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-0000cdf0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-0000ce00: 6662 6662 6622 2070 6f69 6e74 733d 2232  fbfbf\" points=\"2\n-0000ce10: 3230 322e 3731 2c2d 3131 3534 2e38 3720  202.71,-1154.87 \n-0000ce20: 3231 3932 2e38 372c 2d31 3135 382e 3820  2192.87,-1158.8 \n-0000ce30: 3232 3033 2e30 322c 2d31 3136 312e 3836  2203.02,-1161.86\n-0000ce40: 2032 3230 322e 3731 2c2d 3131 3534 2e38   2202.71,-1154.8\n-0000ce50: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n-0000ce60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000ce70: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n-0000ce80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000ce90: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0000cea0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n-0000ceb0: 6467 6536 3722 2063 6c61 7373 3d22 6564  dge67\" class=\"ed\n-0000cec0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0000ced0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0000cee0: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n-0000cef0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000cf00: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-0000cf10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000cf20: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000cf30: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-0000cf40: 3230 3932 2e35 352c 2d33 3536 2e37 3443  2092.55,-356.74C\n-0000cf50: 3231 3435 2e32 312c 2d33 3933 2e32 3820  2145.21,-393.28 \n-0000cf60: 3232 3932 2e31 322c 2d35 3037 2e32 3220  2292.12,-507.22 \n-0000cf70: 3232 3339 2e35 362c 2d36 3038 2e37 2032  2239.56,-608.7 2\n-0000cf80: 3139 332e 3637 2c2d 3639 372e 3331 2032  193.67,-697.31 2\n-0000cf90: 3134 362e 3639 2c2d 3639 382e 3631 2032  146.69,-698.61 2\n-0000cfa0: 3035 332e 3536 2c2d 3733 342e 3434 2031  053.56,-734.44 1\n-0000cfb0: 3936 382e 3334 2c2d 3736 372e 3233 2031  968.34,-767.23 1\n-0000cfc0: 3836 312e 3238 2c2d 3737 372e 3832 2031  861.28,-777.82 1\n-0000cfd0: 3830 302e 3532 2c2d 3738 312e 3234 222f  800.52,-781.24\"/\n-0000cfe0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000cff0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-0000d000: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-0000d010: 733d 2231 3830 302e 3236 2c2d 3737 372e  s=\"1800.26,-777.\n-0000d020: 3735 2031 3739 302e 3435 2c2d 3738 312e  75 1790.45,-781.\n-0000d030: 3737 2031 3830 302e 3632 2c2d 3738 342e  77 1800.62,-784.\n-0000d040: 3734 2031 3830 302e 3236 2c2d 3737 372e  74 1800.26,-777.\n-0000d050: 3735 222f 3e0a 3c2f 673e 0a3c 212d 2d20  75\"/>.</g>.<!-- \n-0000d060: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000d070: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-0000d080: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-0000d090: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-0000d0a0: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n-0000d0b0: 3d22 6564 6765 3636 2220 636c 6173 733d  =\"edge66\" class=\n-0000d0c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000d0d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000d0e0: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n-0000d0f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000d100: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-0000d110: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n-0000d120: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000d130: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000d140: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0000d150: 793d 2235 2c32 2220 643d 224d 3231 3237  y=\"5,2\" d=\"M2127\n-0000d160: 2e39 372c 2d33 3530 2e32 3243 3231 3730  .97,-350.22C2170\n-0000d170: 2e38 342c 2d33 3536 2e32 3320 3232 3331  .84,-356.23 2231\n-0000d180: 2e35 392c 2d33 3638 2e35 3620 3232 3739  .59,-368.56 2279\n-0000d190: 2e35 362c 2d33 3933 2e32 3220 3233 3137  .56,-393.22 2317\n-0000d1a0: 2e33 342c 2d34 3132 2e36 3520 3233 3232  .34,-412.65 2322\n-0000d1b0: 2e33 322c 2d34 3235 2e32 3720 3233 3531  .32,-425.27 2351\n-0000d1c0: 2e35 362c 2d34 3536 2e30 3920 3235 3031  .56,-456.09 2501\n-0000d1d0: 2e34 312c 2d36 3134 2e30 3220 3236 3134  .41,-614.02 2614\n-0000d1e0: 2e32 342c 2d37 3337 2e39 3920 3234 3939  .24,-737.99 2499\n-0000d1f0: 2e35 362c 2d39 3233 2e30 3520 3234 3039  .56,-923.05 2409\n-0000d200: 2e35 382c 2d31 3036 382e 3235 2032 3138  .58,-1068.25 218\n-0000d210: 312e 3234 2c2d 3130 3933 2e31 3920 3230  1.24,-1093.19 20\n-0000d220: 3739 2e36 332c 2d31 3039 362e 3932 222f  79.63,-1096.92\"/\n-0000d230: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000d240: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000d250: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000d260: 733d 2232 3037 392e 3232 2c2d 3130 3933  s=\"2079.22,-1093\n-0000d270: 2e34 3320 3230 3639 2e33 342c 2d31 3039  .43 2069.34,-109\n-0000d280: 372e 3234 2032 3037 392e 3434 2c2d 3131  7.24 2079.44,-11\n-0000d290: 3030 2e34 3220 3230 3739 2e32 322c 2d31  00.42 2079.22,-1\n-0000d2a0: 3039 332e 3433 222f 3e0a 3c2f 673e 0a3c  093.43\"/>.</g>.<\n-0000d2b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000d2c0: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-0000d2d0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-0000d2e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000d2f0: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964  _mdlib -->.<g id\n-0000d300: 3d22 6564 6765 3730 2220 636c 6173 733d  =\"edge70\" class=\n-0000d310: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000d320: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000d330: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n-0000d340: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000d350: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-0000d360: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-0000d370: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000d380: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0000d390: 4d32 3036 362c 2d33 3330 2e33 3443 3230  M2066,-330.34C20\n-0000d3a0: 3533 2e35 322c 2d33 3133 2e32 3320 3230  53.52,-313.23 20\n-0000d3b0: 3238 2e36 2c2d 3238 322e 3832 2031 3939  28.6,-282.82 199\n-0000d3c0: 392e 3536 2c2d 3236 372e 3438 2031 3932  9.56,-267.48 192\n-0000d3d0: 372e 3737 2c2d 3232 392e 3537 2031 3833  7.77,-229.57 183\n-0000d3e0: 312e 3131 2c2d 3232 302e 3932 2031 3737  1.11,-220.92 177\n-0000d3f0: 382e 3139 2c2d 3231 392e 3222 2f3e 0a3c  8.19,-219.2\"/>.<\n-0000d400: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-0000d410: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-0000d420: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-0000d430: 3137 3737 2e39 382c 2d32 3135 2e36 3920  1777.98,-215.69 \n-0000d440: 3137 3637 2e39 2c2d 3231 382e 3934 2031  1767.9,-218.94 1\n-0000d450: 3737 372e 382c 2d32 3232 2e36 3920 3137  777.8,-222.69 17\n-0000d460: 3737 2e39 382c 2d32 3135 2e36 3922 2f3e  77.98,-215.69\"/>\n-0000d470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000d480: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n-0000d490: 736b 6173 7369 676e 6d65 6e74 2623 3435  skassignment&#45\n-0000d4a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000d4b0: 6772 6f6d 6163 735f 646f 6d64 6563 202d  gromacs_domdec -\n-0000d4c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3733  ->.<g id=\"edge73\n-0000d4d0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000d4e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000d4f0: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n-0000d500: 7369 676e 6d65 6e74 2623 3435 3b26 6774  signment&#45;&gt\n-0000d510: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000d520: 6163 735f 646f 6d64 6563 3c2f 7469 746c  acs_domdec</titl\n-0000d530: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0000d540: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0000d550: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0000d560: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0000d570: 4d32 3036 382e 3433 2c2d 3335 372e 3432  M2068.43,-357.42\n-0000d580: 4332 3035 382e 3138 2c2d 3337 382e 3536  C2058.18,-378.56\n-0000d590: 2032 3033 372e 3434 2c2d 3432 312e 3333   2037.44,-421.33\n-0000d5a0: 2032 3032 342e 392c 2d34 3437 2e32 222f   2024.9,-447.2\"/\n-0000d5b0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000d5c0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000d5d0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000d5e0: 733d 2232 3032 312e 3735 2c2d 3434 352e  s=\"2021.75,-445.\n-0000d5f0: 3638 2032 3032 302e 3533 2c2d 3435 362e  68 2020.53,-456.\n-0000d600: 3231 2032 3032 382e 3034 2c2d 3434 382e  21 2028.04,-448.\n-0000d610: 3734 2032 3032 312e 3735 2c2d 3434 352e  74 2021.75,-445.\n-0000d620: 3638 222f 3e0a 3c2f 673e 0a3c 212d 2d20  68\"/>.</g>.<!-- \n-0000d630: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000d640: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-0000d650: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-0000d660: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n-0000d670: 656e 7469 616c 6479 6e61 6d69 6373 202d  entialdynamics -\n-0000d680: 2d3e 0a3c 6720 6964 3d22 6564 6765 3732  ->.<g id=\"edge72\n-0000d690: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000d6a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000d6b0: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n-0000d6c0: 7369 676e 6d65 6e74 2623 3435 3b26 6774  signment&#45;&gt\n-0000d6d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000d6e0: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-0000d6f0: 616d 6963 733c 2f74 6974 6c65 3e0a 3c70  amics</title>.<p\n-0000d700: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000d710: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000d720: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0000d730: 793d 2235 2c32 2220 643d 224d 3231 3231  y=\"5,2\" d=\"M2121\n-0000d740: 2e35 332c 2d33 3335 2e31 3343 3231 3633  .53,-335.13C2163\n-0000d750: 2e37 332c 2d33 3237 2e34 3420 3232 3236  .73,-327.44 2226\n-0000d760: 2e39 352c 2d33 3133 2e39 3320 3232 3739  .95,-313.93 2279\n-0000d770: 2e35 362c 2d32 3934 2e33 3520 3233 3730  .56,-294.35 2370\n-0000d780: 2e35 312c 2d32 3630 2e35 2032 3437 302e  .51,-260.5 2470.\n-0000d790: 3031 2c2d 3230 322e 3336 2032 3531 372e  01,-202.36 2517.\n-0000d7a0: 3032 2c2d 3137 332e 3439 222f 3e0a 3c70  02,-173.49\"/>.<p\n-0000d7b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-0000d7c0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-0000d7d0: 3832 6663 6322 2070 6f69 6e74 733d 2232  82fcc\" points=\"2\n-0000d7e0: 3531 392e 3034 2c2d 3137 362e 3335 2032  519.04,-176.35 2\n-0000d7f0: 3532 352e 3731 2c2d 3136 382e 3132 2032  525.71,-168.12 2\n-0000d800: 3531 352e 3336 2c2d 3137 302e 3420 3235  515.36,-170.4 25\n-0000d810: 3139 2e30 342c 2d31 3736 2e33 3522 2f3e  19.04,-176.35\"/>\n-0000d820: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000d830: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n-0000d840: 736b 6173 7369 676e 6d65 6e74 2623 3435  skassignment&#45\n-0000d850: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000d860: 6772 6f6d 6163 735f 6577 616c 6420 2d2d  gromacs_ewald --\n-0000d870: 3e0a 3c67 2069 643d 2265 6467 6536 3522  >.<g id=\"edge65\"\n-0000d880: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000d890: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000d8a0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373  _gromacs_taskass\n-0000d8b0: 6967 6e6d 656e 7426 2334 353b 2667 743b  ignment&#45;&gt;\n-0000d8c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000d8d0: 6373 5f65 7761 6c64 3c2f 7469 746c 653e  cs_ewald</title>\n-0000d8e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000d8f0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-0000d900: 6363 2220 643d 224d 3230 3237 2e30 312c  cc\" d=\"M2027.01,\n-0000d910: 2d33 3335 2e33 3643 3230 3133 2e33 342c  -335.36C2013.34,\n-0000d920: 2d33 3333 2e34 3620 3139 3938 2e33 382c  -333.46 1998.38,\n-0000d930: 2d33 3331 2e36 2031 3938 342e 3536 2c2d  -331.6 1984.56,-\n-0000d940: 3333 302e 3335 2031 3536 302e 3133 2c2d  330.35 1560.13,-\n-0000d950: 3239 312e 3939 2031 3034 322e 3836 2c2d  291.99 1042.86,-\n-0000d960: 3238 332e 3834 2038 3937 2e39 342c 2d32  283.84 897.94,-2\n-0000d970: 3832 2e32 3722 2f3e 0a3c 706f 6c79 676f  82.27\"/>.<polygo\n-0000d980: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0000d990: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000d9a0: 2220 706f 696e 7473 3d22 3839 372e 3831  \" points=\"897.81\n-0000d9b0: 2c2d 3237 382e 3736 2038 3837 2e37 372c  ,-278.76 887.77,\n-0000d9c0: 2d32 3832 2e31 3620 3839 372e 3733 2c2d  -282.16 897.73,-\n-0000d9d0: 3238 352e 3736 2038 3937 2e38 312c 2d32  285.76 897.81,-2\n-0000d9e0: 3738 2e37 3622 2f3e 0a3c 2f67 3e0a 3c21  78.76\"/>.</g>.<!\n-0000d9f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000da00: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-0000da10: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n-0000da20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000da30: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n-0000da40: 3d22 6564 6765 3734 2220 636c 6173 733d  =\"edge74\" class=\n-0000da50: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000da60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000da70: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n-0000da80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000da90: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-0000daa0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-0000dab0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000dac0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0000dad0: 224d 3230 3938 2e38 352c 2d33 3536 2e31  \"M2098.85,-356.1\n-0000dae0: 3643 3231 3136 2e35 342c 2d33 3635 2e30  6C2116.54,-365.0\n-0000daf0: 3220 3231 3430 2e36 322c 2d33 3738 2e32  2 2140.62,-378.2\n-0000db00: 3920 3231 3539 2e35 362c 2d33 3933 2e32  9 2159.56,-393.2\n-0000db10: 3220 3231 3839 2e36 352c 2d34 3136 2e39  2 2189.65,-416.9\n-0000db20: 3420 3231 3936 2e37 342c 2d34 3234 2e35  4 2196.74,-424.5\n-0000db30: 3920 3232 3138 2e35 362c 2d34 3536 2e30  9 2218.56,-456.0\n-0000db40: 3920 3232 3537 2e39 332c 2d35 3132 2e39  9 2257.93,-512.9\n-0000db50: 3120 3232 3638 2e30 332c 2d35 3432 2e33  1 2268.03,-542.3\n-0000db60: 3820 3232 3438 2e35 362c 2d36 3038 2e37  8 2248.56,-608.7\n-0000db70: 2032 3233 392e 332c 2d36 3430 2e32 3520   2239.3,-640.25 \n-0000db80: 3232 3330 2e33 392c 2d36 3436 2e31 3320  2230.39,-646.13 \n-0000db90: 3232 3039 2e35 362c 2d36 3731 2e35 3720  2209.56,-671.57 \n-0000dba0: 3231 3537 2e38 312c 2d37 3334 2e37 3520  2157.81,-734.75 \n-0000dbb0: 3231 3530 2e31 352c 2d37 3634 2e30 3520  2150.15,-764.05 \n-0000dbc0: 3230 3735 2e35 362c 2d37 3937 2e33 3120  2075.56,-797.31 \n-0000dbd0: 3139 3839 2e38 2c2d 3833 352e 3535 2031  1989.8,-835.55 1\n-0000dbe0: 3734 382e 3034 2c2d 3832 342e 3531 2031  748.04,-824.51 1\n-0000dbf0: 3635 342e 3536 2c2d 3833 332e 3331 2031  654.56,-833.31 1\n-0000dc00: 3632 372e 3634 2c2d 3833 352e 3835 2031  627.64,-835.85 1\n-0000dc10: 3539 372e 3337 2c2d 3833 382e 3936 2031  597.37,-838.96 1\n-0000dc20: 3537 332e 3835 2c2d 3834 312e 3433 222f  573.85,-841.43\"/\n-0000dc30: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000dc40: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-0000dc50: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-0000dc60: 733d 2231 3537 332e 3436 2c2d 3833 372e  s=\"1573.46,-837.\n-0000dc70: 3935 2031 3536 332e 3838 2c2d 3834 322e  95 1563.88,-842.\n-0000dc80: 3438 2031 3537 342e 3139 2c2d 3834 342e  48 1574.19,-844.\n-0000dc90: 3931 2031 3537 332e 3436 2c2d 3833 372e  91 1573.46,-837.\n-0000dca0: 3935 222f 3e0a 3c2f 673e 0a3c 212d 2d20  95\"/>.</g>.<!-- \n-0000dcb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000dcc0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-0000dcd0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-0000dce0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-0000dcf0: 7465 645f 666f 7263 6573 202d 2d3e 0a3c  ted_forces -->.<\n-0000dd00: 6720 6964 3d22 6564 6765 3639 2220 636c  g id=\"edge69\" cl\n-0000dd10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000dd20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000dd30: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-0000dd40: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n-0000dd50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000dd60: 6c69 7374 6564 5f66 6f72 6365 733c 2f74  listed_forces</t\n-0000dd70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000dd80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000dd90: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-0000dda0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0000ddb0: 643d 224d 3231 3138 2e39 382c 2d33 3533  d=\"M2118.98,-353\n-0000ddc0: 2e30 3443 3231 3534 2e37 382c 2d33 3630  .04C2154.78,-360\n-0000ddd0: 2e36 3620 3232 3035 2e38 362c 2d33 3733  .66 2205.86,-373\n-0000dde0: 2e37 3820 3232 3437 2e35 362c 2d33 3933  .78 2247.56,-393\n-0000ddf0: 2e32 3220 3232 3932 2e34 352c 2d34 3134  .22 2292.45,-414\n-0000de00: 2e31 3520 3233 3130 2c2d 3431 362e 3336  .15 2310,-416.36\n-0000de10: 2032 3333 392e 3536 2c2d 3435 362e 3039   2339.56,-456.09\n-0000de20: 2032 3336 392e 3631 2c2d 3439 362e 3438   2369.61,-496.48\n-0000de30: 2032 3439 342e 3633 2c2d 3739 322e 3236   2494.63,-792.26\n-0000de40: 2032 3433 392e 3536 2c2d 3836 302e 3138   2439.56,-860.18\n-0000de50: 2032 3338 312e 3133 2c2d 3933 322e 3234   2381.13,-932.24\n-0000de60: 2032 3039 362e 3638 2c2d 3935 392e 3436   2096.68,-959.46\n-0000de70: 2031 3937 312e 3638 2c2d 3936 382e 3036   1971.68,-968.06\n-0000de80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0000de90: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0000dea0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0000deb0: 6e74 733d 2231 3937 312e 3237 2c2d 3936  nts=\"1971.27,-96\n-0000dec0: 342e 3538 2031 3936 312e 3532 2c2d 3936  4.58 1961.52,-96\n-0000ded0: 382e 3734 2031 3937 312e 3733 2c2d 3937  8.74 1971.73,-97\n-0000dee0: 312e 3537 2031 3937 312e 3237 2c2d 3936  1.57 1971.27,-96\n-0000def0: 342e 3538 222f 3e0a 3c2f 673e 0a3c 212d  4.58\"/>.</g>.<!-\n-0000df00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000df10: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n-0000df20: 656e 7426 2334 353b 2667 743b 6d6f 6475  ent&#45;&gt;modu\n-0000df30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0000df40: 6472 756e 7574 696c 6974 7920 2d2d 3e0a  drunutility -->.\n-0000df50: 3c67 2069 643d 2265 6467 6537 3122 2063  <g id=\"edge71\" c\n-0000df60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0000df70: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0000df80: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-0000df90: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-0000dfa0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000dfb0: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n-0000dfc0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000dfd0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000dfe0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-0000dff0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0000e000: 643d 224d 3231 3137 2e31 382c 2d33 3533  d=\"M2117.18,-353\n-0000e010: 2e33 3843 3231 3437 2e33 372c 2d33 3630  .38C2147.37,-360\n-0000e020: 2e37 3720 3231 3837 2e39 362c 2d33 3733  .77 2187.96,-373\n-0000e030: 2e34 3220 3232 3139 2e35 362c 2d33 3933  .42 2219.56,-393\n-0000e040: 2e32 3220 3232 3932 2e33 322c 2d34 3338  .22 2292.32,-438\n-0000e050: 2e38 2032 3335 342e 3536 2c2d 3434 352e  .8 2354.56,-445.\n-0000e060: 3534 2032 3335 342e 3536 2c2d 3533 312e  54 2354.56,-531.\n-0000e070: 3420 3233 3534 2e35 362c 2d35 3936 2e32  4 2354.56,-596.2\n-0000e080: 3720 3233 3534 2e35 362c 2d35 3936 2e32  7 2354.56,-596.2\n-0000e090: 3720 3233 3534 2e35 362c 2d35 3936 2e32  7 2354.56,-596.2\n-0000e0a0: 3720 3233 3534 2e35 362c 2d36 3931 2e36  7 2354.56,-691.6\n-0000e0b0: 3320 3233 3433 2e34 362c 2d37 3236 2e35  3 2343.46,-726.5\n-0000e0c0: 3120 3232 3739 2e35 362c 2d37 3937 2e33  1 2279.56,-797.3\n-0000e0d0: 3120 3232 3330 2e35 322c 2d38 3531 2e36  1 2230.52,-851.6\n-0000e0e0: 3420 3231 3439 2c2d 3838 322e 3539 2032  4 2149,-882.59 2\n-0000e0f0: 3039 382e 3731 2c2d 3839 372e 3435 222f  098.71,-897.45\"/\n-0000e100: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000e110: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000e120: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000e130: 733d 2232 3039 372e 3434 2c2d 3839 342e  s=\"2097.44,-894.\n-0000e140: 3138 2032 3038 382e 3739 2c2d 3930 302e  18 2088.79,-900.\n-0000e150: 3320 3230 3939 2e33 362c 2d39 3030 2e39  3 2099.36,-900.9\n-0000e160: 2032 3039 372e 3434 2c2d 3839 342e 3138   2097.44,-894.18\n-0000e170: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000e180: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000e190: 5f64 6f6d 6465 6326 2334 353b 2667 743b  _domdec&#45;&gt;\n-0000e1a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000e1b0: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a  cs_hardware -->.\n-0000e1c0: 3c67 2069 643d 2265 6467 6538 3122 2063  <g id=\"edge81\" c\n-0000e1d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0000e1e0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0000e1f0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334  romacs_domdec&#4\n-0000e200: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000e210: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n-0000e220: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-0000e230: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000e240: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0000e250: 4d32 3033 332e 3031 2c2d 3438 312e 3231  M2033.01,-481.21\n-0000e260: 4332 3131 342e 3939 2c2d 3532 392e 3939  C2114.99,-529.99\n-0000e270: 2032 3434 362e 3235 2c2d 3734 312e 3237   2446.25,-741.27\n-0000e280: 2032 3533 392e 3536 2c2d 3130 3231 2e39   2539.56,-1021.9\n-0000e290: 3220 3235 3433 2e33 332c 2d31 3033 332e  2 2543.33,-1033.\n-0000e2a0: 3235 2032 3534 362e 3734 2c2d 3130 3339  25 2546.74,-1039\n-0000e2b0: 2e32 3520 3235 3339 2e35 362c 2d31 3034  .25 2539.56,-104\n-0000e2c0: 382e 3739 2032 3439 382e 3238 2c2d 3131  8.79 2498.28,-11\n-0000e2d0: 3033 2e36 3520 3232 3932 2e32 312c 2d31  03.65 2292.21,-1\n-0000e2e0: 3133 392e 3936 2032 3139 392e 3232 2c2d  139.96 2199.22,-\n-0000e2f0: 3131 3533 2e38 3122 2f3e 0a3c 706f 6c79  1153.81\"/>.<poly\n-0000e300: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-0000e310: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-0000e320: 6266 2220 706f 696e 7473 3d22 3231 3938  bf\" points=\"2198\n-0000e330: 2e36 342c 2d31 3135 302e 3335 2032 3138  .64,-1150.35 218\n-0000e340: 392e 3235 2c2d 3131 3535 2e32 3720 3231  9.25,-1155.27 21\n-0000e350: 3939 2e36 362c 2d31 3135 372e 3238 2032  99.66,-1157.28 2\n-0000e360: 3139 382e 3634 2c2d 3131 3530 2e33 3522  198.64,-1150.35\"\n-0000e370: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0000e380: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000e390: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n-0000e3a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000e3b0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-0000e3c0: 2069 643d 2265 6467 6537 3722 2063 6c61   id=\"edge77\" cla\n-0000e3d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0000e3e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0000e3f0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n-0000e400: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000e410: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f  romacs_mdtypes</\n-0000e420: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0000e430: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0000e440: 2223 6266 6266 6266 2220 643d 224d 3230  \"#bfbfbf\" d=\"M20\n-0000e450: 3233 2e36 342c 2d34 3832 2e36 3643 3230  23.64,-482.66C20\n-0000e460: 3239 2e32 392c 2d34 3937 2e36 3520 3230  29.29,-497.65 20\n-0000e470: 3333 2e30 322c 2d35 3233 2e38 3720 3230  33.02,-523.87 20\n-0000e480: 3238 2e35 362c 2d35 3435 2e38 3320 3230  28.56,-545.83 20\n-0000e490: 3130 2e34 322c 2d36 3335 2e30 3620 3230  10.42,-635.06 20\n-0000e4a0: 3137 2e35 322c 2d36 3734 2e39 3820 3139  17.52,-674.98 19\n-0000e4b0: 3438 2e35 362c 2d37 3334 2e34 3420 3139  48.56,-734.44 19\n-0000e4c0: 3037 2e37 362c 2d37 3639 2e36 3220 3138  07.76,-769.62 18\n-0000e4d0: 3434 2e35 342c 2d37 3739 2e37 3220 3138  44.54,-779.72 18\n-0000e4e0: 3030 2e38 382c 2d37 3832 2e33 3622 2f3e  00.88,-782.36\"/>\n-0000e4f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000e500: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0000e510: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0000e520: 3d22 3138 3030 2e35 392c 2d37 3738 2e38  =\"1800.59,-778.8\n-0000e530: 3720 3137 3930 2e37 372c 2d37 3832 2e38  7 1790.77,-782.8\n-0000e540: 3720 3138 3030 2e39 332c 2d37 3835 2e38  7 1800.93,-785.8\n-0000e550: 3720 3138 3030 2e35 392c 2d37 3738 2e38  7 1800.59,-778.8\n-0000e560: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n-0000e570: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000e580: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n-0000e590: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000e5a0: 6163 735f 6770 755f 7574 696c 7320 2d2d  acs_gpu_utils --\n-0000e5b0: 3e0a 3c67 2069 643d 2265 6467 6537 3822  >.<g id=\"edge78\"\n-0000e5c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000e5d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000e5e0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n-0000e5f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000e600: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n-0000e610: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n-0000e620: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000e630: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000e640: 643d 224d 3230 3334 2e35 382c 2d34 3831  d=\"M2034.58,-481\n-0000e650: 2e30 3643 3231 3034 2e36 332c 2d35 3139  .06C2104.63,-519\n-0000e660: 2e35 3420 3233 3334 2e35 362c 2d36 3539  .54 2334.56,-659\n-0000e670: 2e39 3620 3233 3334 2e35 362c 2d38 3435  .96 2334.56,-845\n-0000e680: 2e37 3520 3233 3334 2e35 362c 2d39 3130  .75 2334.56,-910\n-0000e690: 2e36 3220 3233 3334 2e35 362c 2d39 3130  .62 2334.56,-910\n-0000e6a0: 2e36 3220 3233 3334 2e35 362c 2d39 3130  .62 2334.56,-910\n-0000e6b0: 2e36 3220 3233 3334 2e35 362c 2d31 3033  .62 2334.56,-103\n-0000e6c0: 302e 3636 2032 3136 302e 3531 2c2d 3130  0.66 2160.51,-10\n-0000e6d0: 3735 2e38 3320 3230 3735 2e33 372c 2d31  75.83 2075.37,-1\n-0000e6e0: 3039 302e 3734 222f 3e0a 3c70 6f6c 7967  090.74\"/>.<polyg\n-0000e6f0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-0000e700: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0000e710: 6622 2070 6f69 6e74 733d 2232 3037 342e  f\" points=\"2074.\n-0000e720: 3732 2c2d 3130 3837 2e33 2032 3036 352e  72,-1087.3 2065.\n-0000e730: 3434 2c2d 3130 3932 2e34 3120 3230 3735  44,-1092.41 2075\n-0000e740: 2e38 392c 2d31 3039 342e 3220 3230 3734  .89,-1094.2 2074\n-0000e750: 2e37 322c 2d31 3038 372e 3322 2f3e 0a3c  .72,-1087.3\"/>.<\n-0000e760: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000e770: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-0000e780: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-0000e790: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-0000e7a0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22  leio -->.<g id=\"\n-0000e7b0: 6564 6765 3736 2220 636c 6173 733d 2265  edge76\" class=\"e\n-0000e7c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0000e7d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000e7e0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n-0000e7f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000e800: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n-0000e810: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000e820: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-0000e830: 6266 2220 643d 224d 3230 3036 2e39 2c2d  bf\" d=\"M2006.9,-\n-0000e840: 3438 322e 3735 4331 3938 382e 3731 2c2d  482.75C1988.71,-\n-0000e850: 3531 302e 3620 3139 3339 2e38 392c 2d35  510.6 1939.89,-5\n-0000e860: 3738 2e36 3320 3138 3739 2e35 362c 2d36  78.63 1879.56,-6\n-0000e870: 3038 2e37 2031 3832 302e 3239 2c2d 3633  08.7 1820.29,-63\n-0000e880: 382e 3234 2031 3632 322e 3233 2c2d 3635  8.24 1622.23,-65\n-0000e890: 312e 3233 2031 3533 392e 3434 2c2d 3635  1.23 1539.44,-65\n-0000e8a0: 352e 3437 222f 3e0a 3c70 6f6c 7967 6f6e  5.47\"/>.<polygon\n-0000e8b0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-0000e8c0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0000e8d0: 2070 6f69 6e74 733d 2231 3533 392e 3035   points=\"1539.05\n-0000e8e0: 2c2d 3635 312e 3938 2031 3532 392e 3233  ,-651.98 1529.23\n-0000e8f0: 2c2d 3635 352e 3937 2031 3533 392e 3339  ,-655.97 1539.39\n-0000e900: 2c2d 3635 382e 3937 2031 3533 392e 3035  ,-658.97 1539.05\n-0000e910: 2c2d 3635 312e 3938 222f 3e0a 3c2f 673e  ,-651.98\"/>.</g>\n-0000e920: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0000e930: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n-0000e940: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000e950: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-0000e960: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0000e970: 3735 2220 636c 6173 733d 2265 6467 6522  75\" class=\"edge\"\n-0000e980: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000e990: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-0000e9a0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-0000e9b0: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n-0000e9c0: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174  nxm</title>.<pat\n-0000e9d0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0000e9e0: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n-0000e9f0: 3033 312e 342c 2d34 3831 2e36 3343 3230  031.4,-481.63C20\n-0000ea00: 3738 2e30 382c 2d35 3137 2e38 3720 3232  78.08,-517.87 22\n-0000ea10: 3036 2e34 332c 2d36 3338 2e30 3120 3232  06.43,-638.01 22\n-0000ea20: 3438 2e35 362c 2d37 3730 2e34 3420 3232  48.56,-770.44 22\n-0000ea30: 3738 2e30 392c 2d38 3633 2e32 3620 3232  78.09,-863.26 22\n-0000ea40: 3738 2e34 382c 2d39 3138 2e31 2032 3230  78.48,-918.1 220\n-0000ea50: 382e 3536 2c2d 3938 352e 3932 2032 3137  8.56,-985.92 217\n-0000ea60: 322e 3339 2c2d 3130 3231 2e30 3120 3231  2.39,-1021.01 21\n-0000ea70: 3132 2e36 382c 2d31 3033 312e 3031 2032  12.68,-1031.01 2\n-0000ea80: 3037 322e 3133 2c2d 3130 3333 2e36 3722  072.13,-1033.67\"\n-0000ea90: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000eaa0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-0000eab0: 6564 2220 706f 696e 7473 3d22 3230 3731  ed\" points=\"2071\n-0000eac0: 2e38 2c2d 3130 3330 2e31 3920 3230 3632  .8,-1030.19 2062\n-0000ead0: 2e30 312c 2d31 3033 342e 3231 2032 3037  .01,-1034.21 207\n-0000eae0: 322e 3138 2c2d 3130 3337 2e31 3820 3230  2.18,-1037.18 20\n-0000eaf0: 3731 2e38 2c2d 3130 3330 2e31 3922 2f3e  71.8,-1030.19\"/>\n-0000eb00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000eb10: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-0000eb20: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64  mdec&#45;&gt;mod\n-0000eb30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000eb40: 696d 6420 2d2d 3e0a 3c67 2069 643d 2265  imd -->.<g id=\"e\n-0000eb50: 6467 6538 3522 2063 6c61 7373 3d22 6564  dge85\" class=\"ed\n-0000eb60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0000eb70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-0000eb80: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n-0000eb90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000eba0: 5f69 6d64 3c2f 7469 746c 653e 0a3c 7061  _imd</title>.<pa\n-0000ebb0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000ebc0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0000ebd0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-0000ebe0: 3d22 352c 3222 2064 3d22 4d32 3034 312e  =\"5,2\" d=\"M2041.\n-0000ebf0: 3037 2c2d 3436 302e 3443 3230 3931 2e39  07,-460.4C2091.9\n-0000ec00: 342c 2d34 3435 2e36 3220 3232 3034 2e37  4,-445.62 2204.7\n-0000ec10: 2c2d 3431 302e 3833 2032 3238 372e 3536  ,-410.83 2287.56\n-0000ec20: 2c2d 3335 372e 3232 2032 3335 342e 3738  ,-357.22 2354.78\n-0000ec30: 2c2d 3331 332e 3733 2032 3338 352e 3435  ,-313.73 2385.45\n-0000ec40: 2c2d 3330 352e 3235 2032 3431 362e 3536  ,-305.25 2416.56\n-0000ec50: 2c2d 3233 312e 3438 2032 3432 342e 3239  ,-231.48 2424.29\n-0000ec60: 2c2d 3231 332e 3134 2032 3431 342e 3135  ,-213.14 2414.15\n-0000ec70: 2c2d 3139 322e 3220 3234 3034 2e39 342c  ,-192.2 2404.94,\n-0000ec80: 2d31 3737 2e30 3622 2f3e 0a3c 706f 6c79  -177.06\"/>.<poly\n-0000ec90: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-0000eca0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-0000ecb0: 6363 2220 706f 696e 7473 3d22 3234 3037  cc\" points=\"2407\n-0000ecc0: 2e38 312c 2d31 3735 2e30 3420 3233 3939  .81,-175.04 2399\n-0000ecd0: 2e35 2c2d 3136 382e 3436 2032 3430 312e  .5,-168.46 2401.\n-0000ece0: 3839 2c2d 3137 382e 3738 2032 3430 372e  89,-178.78 2407.\n-0000ecf0: 3831 2c2d 3137 352e 3034 222f 3e0a 3c2f  81,-175.04\"/>.</\n-0000ed00: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-0000ed10: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-0000ed20: 6326 2334 353b 2667 743b 6d6f 6475 6c65  c&#45;&gt;module\n-0000ed30: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-0000ed40: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-0000ed50: 6765 3832 2220 636c 6173 733d 2265 6467  ge82\" class=\"edg\n-0000ed60: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000ed70: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-0000ed80: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64  mdec&#45;&gt;mod\n-0000ed90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000eda0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n-0000edb0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000edc0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0000edd0: 2064 3d22 4d32 3031 302e 3434 2c2d 3435   d=\"M2010.44,-45\n-0000ede0: 352e 3943 3230 3037 2e32 372c 2d34 3239  5.9C2007.27,-429\n-0000edf0: 2e35 3720 3230 3035 2e38 312c 2d33 3638  .57 2005.81,-368\n-0000ee00: 2e30 3820 3139 3735 2e35 362c 2d33 3330  .08 1975.56,-330\n-0000ee10: 2e33 3520 3139 3234 2e30 352c 2d32 3636  .35 1924.05,-266\n-0000ee20: 2e31 3120 3138 3237 2e33 342c 2d32 3337  .11 1827.34,-237\n-0000ee30: 2e35 3620 3137 3735 2e30 322c 2d32 3236  .56 1775.02,-226\n-0000ee40: 2e30 3222 2f3e 0a3c 706f 6c79 676f 6e20  .02\"/>.<polygon \n-0000ee50: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-0000ee60: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000ee70: 706f 696e 7473 3d22 3137 3735 2e36 382c  points=\"1775.68,\n-0000ee80: 2d32 3232 2e35 3820 3137 3635 2e31 372c  -222.58 1765.17,\n-0000ee90: 2d32 3233 2e39 3320 3137 3734 2e32 332c  -223.93 1774.23,\n-0000eea0: 2d32 3239 2e34 3320 3137 3735 2e36 382c  -229.43 1775.68,\n-0000eeb0: 2d32 3232 2e35 3822 2f3e 0a3c 2f67 3e0a  -222.58\"/>.</g>.\n-0000eec0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000eed0: 6772 6f6d 6163 735f 6d64 7275 6e20 2d2d  gromacs_mdrun --\n-0000eee0: 3e0a 3c67 2069 643d 226e 6f64 6532 3022  >.<g id=\"node20\"\n-0000eef0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-0000ef00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000ef10: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f  _gromacs_mdrun</\n-0000ef20: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n-0000ef30: 6e6f 6465 3230 223e 3c61 2078 6c69 6e6b  node20\"><a xlink\n-0000ef40: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n-0000ef50: 6475 6c65 5f5f 6d64 7275 6e2e 7868 746d  dule__mdrun.xhtm\n-0000ef60: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-0000ef70: 2078 6c69 6e6b 3a74 6974 6c65 3d22 6d64   xlink:title=\"md\n-0000ef80: 7275 6e22 3e0a 3c65 6c6c 6970 7365 2066  run\">.<ellipse f\n-0000ef90: 696c 6c3d 2223 6535 6363 6666 2220 7374  ill=\"#e5ccff\" st\n-0000efa0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-0000efb0: 2231 3737 382e 3536 2220 6379 3d22 2d34  \"1778.56\" cy=\"-4\n-0000efc0: 3036 2e36 3622 2072 783d 2233 312e 3233  06.66\" rx=\"31.23\n-0000efd0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-0000efe0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-0000eff0: 3d22 6d69 6464 6c65 2220 783d 2231 3737  =\"middle\" x=\"177\n-0000f000: 382e 3536 2220 793d 222d 3430 342e 3136  8.56\" y=\"-404.16\n-0000f010: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-0000f020: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-0000f030: 7a65 3d22 3130 2e30 3022 3e6d 6472 756e  ze=\"10.00\">mdrun\n-0000f040: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n-0000f050: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000f060: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-0000f070: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n-0000f080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000f090: 5f6d 6472 756e 202d 2d3e 0a3c 6720 6964  _mdrun -->.<g id\n-0000f0a0: 3d22 6564 6765 3833 2220 636c 6173 733d  =\"edge83\" class=\n-0000f0b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000f0c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000f0d0: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n-0000f0e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000f0f0: 6163 735f 6d64 7275 6e3c 2f74 6974 6c65  acs_mdrun</title\n-0000f100: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0000f110: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-0000f120: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-0000f130: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-0000f140: 3139 3834 2e34 352c 2d34 3631 2e39 4331  1984.45,-461.9C1\n-0000f150: 3934 302e 3431 2c2d 3435 312e 3237 2031  940.41,-451.27 1\n-0000f160: 3835 392e 3032 2c2d 3433 302e 3334 2031  859.02,-430.34 1\n-0000f170: 3831 322e 3738 2c2d 3431 372e 3832 222f  812.78,-417.82\"/\n-0000f180: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000f190: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000f1a0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000f1b0: 733d 2231 3831 332e 3439 2c2d 3431 342e  s=\"1813.49,-414.\n-0000f1c0: 3339 2031 3830 322e 3932 2c2d 3431 352e  39 1802.92,-415.\n-0000f1d0: 3133 2031 3831 312e 3635 2c2d 3432 312e  13 1811.65,-421.\n-0000f1e0: 3134 2031 3831 332e 3439 2c2d 3431 342e  14 1813.49,-414.\n-0000f1f0: 3339 222f 3e0a 3c2f 673e 0a3c 212d 2d20  39\"/>.</g>.<!-- \n-0000f200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f210: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n-0000f220: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000f230: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n-0000f240: 6720 6964 3d22 6564 6765 3739 2220 636c  g id=\"edge79\" cl\n-0000f250: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000f260: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000f270: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n-0000f280: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000f290: 6772 6f6d 6163 735f 6577 616c 643c 2f74  gromacs_ewald</t\n-0000f2a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000f2b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000f2c0: 7265 6422 2064 3d22 4d31 3937 382e 3536  red\" d=\"M1978.56\n-0000f2d0: 2c2d 3436 382e 3132 4331 3831 372e 3536  ,-468.12C1817.56\n-0000f2e0: 2c2d 3436 352e 3732 2031 3136 342e 3738  ,-465.72 1164.78\n-0000f2f0: 2c2d 3435 302e 3139 2039 3837 2e35 362c  ,-450.19 987.56,\n-0000f300: 2d33 3537 2e32 3220 3937 332e 3132 2c2d  -357.22 973.12,-\n-0000f310: 3334 392e 3634 2039 3735 2e39 2c2d 3333  349.64 975.9,-33\n-0000f320: 392e 3734 2039 3632 2e35 362c 2d33 3330  9.74 962.56,-330\n-0000f330: 2e33 3520 3933 392e 372c 2d33 3134 2e32  .35 939.7,-314.2\n-0000f340: 3720 3931 302e 3636 2c2d 3330 312e 3936  7 910.66,-301.96\n-0000f350: 2038 3838 2e39 352c 2d32 3933 2e37 3822   888.95,-293.78\"\n-0000f360: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000f370: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-0000f380: 6564 2220 706f 696e 7473 3d22 3839 302e  ed\" points=\"890.\n-0000f390: 3133 2c2d 3239 302e 3439 2038 3739 2e35  13,-290.49 879.5\n-0000f3a0: 342c 2d32 3930 2e33 3120 3838 372e 3731  4,-290.31 887.71\n-0000f3b0: 2c2d 3239 372e 3036 2038 3930 2e31 332c  ,-297.06 890.13,\n-0000f3c0: 2d32 3930 2e34 3922 2f3e 0a3c 2f67 3e0a  -290.49\"/>.</g>.\n-0000f3d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000f3e0: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n-0000f3f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000f400: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-0000f410: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0000f420: 3830 2220 636c 6173 733d 2265 6467 6522  80\" class=\"edge\"\n-0000f430: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000f440: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-0000f450: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-0000f460: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-0000f470: 786c 6962 3c2f 7469 746c 653e 0a3c 7061  xlib</title>.<pa\n-0000f480: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000f490: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000f4a0: 643d 224d 3230 3132 2e35 312c 2d34 3833  d=\"M2012.51,-483\n-0000f4b0: 2e31 3943 3230 3038 2e39 2c2d 3530 372e  .19C2008.9,-507.\n-0000f4c0: 3633 2032 3030 322e 3435 2c2d 3536 322e  63 2002.45,-562.\n-0000f4d0: 3932 2032 3030 392e 3536 2c2d 3630 382e  92 2009.56,-608.\n-0000f4e0: 3720 3230 3134 2e30 362c 2d36 3337 2e36  7 2014.06,-637.6\n-0000f4f0: 3820 3230 3132 2e33 352c 2d36 3437 2e38  8 2012.35,-647.8\n-0000f500: 3320 3230 3239 2e35 362c 2d36 3731 2e35  3 2029.56,-671.5\n-0000f510: 3720 3230 3435 2e36 332c 2d36 3933 2e37  7 2045.63,-693.7\n-0000f520: 3420 3230 3637 2e30 382c 2d36 3833 2e32  4 2067.08,-683.2\n-0000f530: 2032 3037 392e 3536 2c2d 3730 372e 3537   2079.56,-707.57\n-0000f540: 2032 3039 382e 3139 2c2d 3734 332e 3934   2098.19,-743.94\n-0000f550: 2032 3039 312e 3434 2c2d 3737 312e 3735   2091.44,-771.75\n-0000f560: 2032 3035 392e 3536 2c2d 3739 372e 3331   2059.56,-797.31\n-0000f570: 2032 3032 342e 3331 2c2d 3832 352e 3537   2024.31,-825.57\n-0000f580: 2031 3639 392e 3533 2c2d 3832 3920 3136   1699.53,-829 16\n-0000f590: 3534 2e35 362c 2d38 3333 2e33 3120 3136  54.56,-833.31 16\n-0000f5a0: 3237 2e36 342c 2d38 3335 2e38 3920 3135  27.64,-835.89 15\n-0000f5b0: 3937 2e33 382c 2d38 3339 2031 3537 332e  97.38,-839 1573.\n-0000f5c0: 3835 2c2d 3834 312e 3436 222f 3e0a 3c70  85,-841.46\"/>.<p\n-0000f5d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-0000f5e0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-0000f5f0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-0000f600: 3537 332e 3436 2c2d 3833 372e 3939 2031  573.46,-837.99 1\n-0000f610: 3536 332e 3838 2c2d 3834 322e 3531 2031  563.88,-842.51 1\n-0000f620: 3537 342e 3139 2c2d 3834 342e 3935 2031  574.19,-844.95 1\n-0000f630: 3537 332e 3436 2c2d 3833 372e 3939 222f  573.46,-837.99\"/\n-0000f640: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000f650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-0000f660: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n-0000f670: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000f680: 5f6c 6973 7465 645f 666f 7263 6573 202d  _listed_forces -\n-0000f690: 2d3e 0a3c 6720 6964 3d22 6564 6765 3836  ->.<g id=\"edge86\n-0000f6a0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000f6b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000f6c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-0000f6d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000f6e0: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-0000f6f0: 6564 5f66 6f72 6365 733c 2f74 6974 6c65  ed_forces</title\n-0000f700: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0000f710: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-0000f720: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-0000f730: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-0000f740: 3230 3331 2e33 322c 2d34 3831 2e34 3543  2031.32,-481.45C\n-0000f750: 3230 3431 2e30 322c 2d34 3930 2e38 3820  2041.02,-490.88 \n-0000f760: 3230 3532 2e31 2c2d 3530 352e 3133 2032  2052.1,-505.13 2\n-0000f770: 3035 392e 3536 2c2d 3531 382e 3936 2032  059.56,-518.96 2\n-0000f780: 3037 332e 3639 2c2d 3534 352e 3134 2032  073.69,-545.14 2\n-0000f790: 3037 332e 3737 2c2d 3535 332e 3431 2032  073.77,-553.41 2\n-0000f7a0: 3038 322e 3536 2c2d 3538 312e 3833 2032  082.56,-581.83 2\n-0000f7b0: 3132 372e 3839 2c2d 3732 382e 3339 2032  127.89,-728.39 2\n-0000f7c0: 3233 302e 3235 2c2d 3830 332e 3135 2032  230.25,-803.15 2\n-0000f7d0: 3133 342e 3536 2c2d 3932 332e 3035 2032  134.56,-923.05 2\n-0000f7e0: 3133 332e 3839 2c2d 3932 332e 3839 2032  133.89,-923.89 2\n-0000f7f0: 3032 372e 3334 2c2d 3934 372e 3833 2031  027.34,-947.83 1\n-0000f800: 3936 322e 3031 2c2d 3936 312e 3734 222f  962.01,-961.74\"/\n-0000f810: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000f820: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000f830: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000f840: 733d 2231 3936 302e 3937 2c2d 3935 382e  s=\"1960.97,-958.\n-0000f850: 3338 2031 3935 312e 3931 2c2d 3936 332e  38 1951.91,-963.\n-0000f860: 3838 2031 3936 322e 3432 2c2d 3936 352e  88 1962.42,-965.\n-0000f870: 3233 2031 3936 302e 3937 2c2d 3935 382e  23 1960.97,-958.\n-0000f880: 3338 222f 3e0a 3c2f 673e 0a3c 212d 2d20  38\"/>.</g>.<!-- \n-0000f890: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f8a0: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n-0000f8b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000f8c0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-0000f8d0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-0000f8e0: 6538 3422 2063 6c61 7373 3d22 6564 6765  e84\" class=\"edge\n-0000f8f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0000f900: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-0000f910: 6465 6326 2334 353b 2667 743b 6d6f 6475  dec&#45;&gt;modu\n-0000f920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0000f930: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n-0000f940: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0000f950: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0000f960: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-0000f970: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0000f980: 224d 3230 3231 2e35 312c 2d34 3832 2e38  \"M2021.51,-482.8\n-0000f990: 3643 3230 3431 2e36 392c 2d35 3230 2e30  6C2041.69,-520.0\n-0000f9a0: 3220 3230 3938 2e32 322c 2d36 3334 2e35  2 2098.22,-634.5\n-0000f9b0: 2032 3038 382e 3536 2c2d 3733 342e 3434   2088.56,-734.44\n-0000f9c0: 2032 3038 332e 3233 2c2d 3738 392e 3534   2083.23,-789.54\n-0000f9d0: 2032 3036 382e 3633 2c2d 3835 332e 3120   2068.63,-853.1 \n-0000f9e0: 3230 3630 2e34 2c2d 3838 362e 3122 2f3e  2060.4,-886.1\"/>\n-0000f9f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000fa00: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-0000fa10: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-0000fa20: 3d22 3230 3536 2e39 342c 2d38 3835 2e35  =\"2056.94,-885.5\n-0000fa30: 3120 3230 3537 2e38 382c 2d38 3936 2e30  1 2057.88,-896.0\n-0000fa40: 3620 3230 3633 2e37 332c 2d38 3837 2e32  6 2063.73,-887.2\n-0000fa50: 3320 3230 3536 2e39 342c 2d38 3835 2e35  3 2056.94,-885.5\n-0000fa60: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-0000fa70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000fa80: 735f 636f 6f72 6469 6e61 7465 696f 202d  s_coordinateio -\n-0000fa90: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3136  ->.<g id=\"node16\n-0000faa0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-0000fab0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000fac0: 635f 6772 6f6d 6163 735f 636f 6f72 6469  c_gromacs_coordi\n-0000fad0: 6e61 7465 696f 3c2f 7469 746c 653e 0a3c  nateio</title>.<\n-0000fae0: 6720 6964 3d22 615f 6e6f 6465 3136 223e  g id=\"a_node16\">\n-0000faf0: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n-0000fb00: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 636f  roup__module__co\n-0000fb10: 6f72 6469 6e61 7465 696f 2e78 6874 6d6c  ordinateio.xhtml\n-0000fb20: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-0000fb30: 786c 696e 6b3a 7469 746c 653d 2263 6f6f  xlink:title=\"coo\n-0000fb40: 7264 696e 6174 6569 6f22 3e0a 3c65 6c6c  rdinateio\">.<ell\n-0000fb50: 6970 7365 2066 696c 6c3d 2223 6666 6363  ipse fill=\"#ffcc\n-0000fb60: 6363 2220 7374 726f 6b65 3d22 626c 6163  cc\" stroke=\"blac\n-0000fb70: 6b22 2063 783d 2231 3234 382e 3536 2220  k\" cx=\"1248.56\" \n-0000fb80: 6379 3d22 2d37 3231 2e30 3122 2072 783d  cy=\"-721.01\" rx=\n-0000fb90: 2234 382e 3538 2220 7279 3d22 3133 2e33  \"48.58\" ry=\"13.3\n-0000fba0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-0000fbb0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-0000fbc0: 783d 2231 3234 382e 3536 2220 793d 222d  x=\"1248.56\" y=\"-\n-0000fbd0: 3731 382e 3531 2220 666f 6e74 2d66 616d  718.51\" font-fam\n-0000fbe0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-0000fbf0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-0000fc00: 3e63 6f6f 7264 696e 6174 6569 6f3c 2f74  >coordinateio</t\n-0000fc10: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n-0000fc20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000fc30: 7372 635f 6772 6f6d 6163 735f 636f 6f72  src_gromacs_coor\n-0000fc40: 6469 6e61 7465 696f 2623 3435 3b26 6774  dinateio&#45;&gt\n-0000fc50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000fc60: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a  acs_options -->.\n-0000fc70: 3c67 2069 643d 2265 6467 6538 3722 2063  <g id=\"edge87\" c\n-0000fc80: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0000fc90: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0000fca0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174  romacs_coordinat\n-0000fcb0: 6569 6f26 2334 353b 2667 743b 6d6f 6475  eio&#45;&gt;modu\n-0000fcc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-0000fcd0: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c  ptions</title>.<\n+0000c6e0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0000c6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000c700: 735f 7265 7374 7261 696e 7420 2d2d 3e0a  s_restraint -->.\n+0000c710: 3c67 2069 643d 2265 6467 6537 3922 2063  <g id=\"edge79\" c\n+0000c720: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000c730: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000c740: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0000c750: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000c760: 6772 6f6d 6163 735f 7265 7374 7261 696e  gromacs_restrain\n+0000c770: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820  t</title>.<path \n+0000c780: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0000c790: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+0000c7a0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+0000c7b0: 2c32 2220 643d 224d 3132 3233 2e36 322c  ,2\" d=\"M1223.62,\n+0000c7c0: 2d35 3932 2e32 3643 3130 3838 2e34 372c  -592.26C1088.47,\n+0000c7d0: 2d35 3833 2e33 3320 3534 312e 342c 2d35  -583.33 541.4,-5\n+0000c7e0: 3437 2e31 3720 3337 382e 3739 2c2d 3533  47.17 378.79,-53\n+0000c7f0: 362e 3432 222f 3e0a 3c70 6f6c 7967 6f6e  6.42\"/>.<polygon\n+0000c800: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+0000c810: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+0000c820: 2070 6f69 6e74 733d 2233 3738 2e38 362c   points=\"378.86,\n+0000c830: 2d35 3332 2e39 3220 3336 382e 3635 2c2d  -532.92 368.65,-\n+0000c840: 3533 352e 3735 2033 3738 2e34 2c2d 3533  535.75 378.4,-53\n+0000c850: 392e 3920 3337 382e 3836 2c2d 3533 322e  9.9 378.86,-532.\n+0000c860: 3932 222f 3e0a 3c2f 673e 0a3c 212d 2d20  92\"/>.</g>.<!-- \n+0000c870: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000c880: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+0000c890: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000c8a0: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67  acs_nbnxm -->.<g\n+0000c8b0: 2069 643d 2265 6467 6537 3722 2063 6c61   id=\"edge77\" cla\n+0000c8c0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0000c8d0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0000c8e0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0000c8f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000c900: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974  omacs_nbnxm</tit\n+0000c910: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000c920: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0000c930: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+0000c940: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+0000c950: 224d 3132 3239 2e37 392c 2d36 3033 2e38  \"M1229.79,-603.8\n+0000c960: 3743 3131 3938 2e32 382c 2d36 3134 2e30  7C1198.28,-614.0\n+0000c970: 3720 3131 3435 2e33 312c 2d36 3332 2e33  7 1145.31,-632.3\n+0000c980: 3120 3131 3239 2c2d 3634 342e 3720 3130  1 1129,-644.7 10\n+0000c990: 3839 2e33 362c 2d36 3734 2e38 3120 3131  89.36,-674.81 11\n+0000c9a0: 3030 2e35 372c 2d37 3032 2e39 3820 3130  00.57,-702.98 10\n+0000c9b0: 3632 2c2d 3733 342e 3434 2031 3035 362e  62,-734.44 1056.\n+0000c9c0: 3839 2c2d 3733 382e 3631 2036 3934 2e34  89,-738.61 694.4\n+0000c9d0: 362c 2d39 3037 2e34 3920 3538 362e 3832  6,-907.49 586.82\n+0000c9e0: 2c2d 3935 372e 3631 222f 3e0a 3c70 6f6c  ,-957.61\"/>.<pol\n+0000c9f0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0000ca00: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0000ca10: 6663 6322 2070 6f69 6e74 733d 2235 3835  fcc\" points=\"585\n+0000ca20: 2e30 392c 2d39 3534 2e35 3520 3537 372e  .09,-954.55 577.\n+0000ca30: 352c 2d39 3631 2e39 3420 3538 382e 3035  5,-961.94 588.05\n+0000ca40: 2c2d 3936 302e 3920 3538 352e 3039 2c2d  ,-960.9 585.09,-\n+0000ca50: 3935 342e 3535 222f 3e0a 3c2f 673e 0a3c  954.55\"/>.</g>.<\n+0000ca60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000ca70: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0000ca80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000ca90: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n+0000caa0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000cab0: 3733 2220 636c 6173 733d 2265 6467 6522  73\" class=\"edge\"\n+0000cac0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000cad0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+0000cae0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+0000caf0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+0000cb00: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70  dware</title>.<p\n+0000cb10: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000cb20: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0000cb30: 2064 3d22 4d31 3238 342e 3935 2c2d 3539   d=\"M1284.95,-59\n+0000cb40: 332e 3437 4331 3339 352e 312c 2d35 3930  3.47C1395.1,-590\n+0000cb50: 2e34 3120 3137 3637 2e36 322c 2d35 3737  .41 1767.62,-577\n+0000cb60: 2e38 3720 3138 3832 2c2d 3534 352e 3833  .87 1882,-545.83\n+0000cb70: 2031 3934 312e 352c 2d35 3239 2e31 3620   1941.5,-529.16 \n+0000cb80: 3139 3733 2e36 362c 2d35 3335 2e36 3120  1973.66,-535.61 \n+0000cb90: 3230 3036 2c2d 3438 322e 3936 2032 3032  2006,-482.96 202\n+0000cba0: 352e 3233 2c2d 3435 312e 3635 2031 3938  5.23,-451.65 198\n+0000cbb0: 362e 3234 2c2d 3139 342e 3934 2031 3937  6.24,-194.94 197\n+0000cbc0: 332e 3731 2c2d 3131 362e 3139 222f 3e0a  3.71,-116.19\"/>.\n+0000cbd0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0000cbe0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+0000cbf0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+0000cc00: 2231 3937 372e 312c 2d31 3135 2e32 3320  \"1977.1,-115.23 \n+0000cc10: 3139 3732 2e30 362c 2d31 3035 2e39 3120  1972.06,-105.91 \n+0000cc20: 3139 3730 2e31 382c 2d31 3136 2e33 3420  1970.18,-116.34 \n+0000cc30: 3139 3737 2e31 2c2d 3131 352e 3233 222f  1977.1,-115.23\"/\n+0000cc40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000cc50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n+0000cc60: 7074 696f 6e73 202d 2d3e 0a3c 6720 6964  ptions -->.<g id\n+0000cc70: 3d22 6e6f 6465 3339 2220 636c 6173 733d  =\"node39\" class=\n+0000cc80: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+0000cc90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000cca0: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65  s_options</title\n+0000ccb0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533  >.<g id=\"a_node3\n+0000ccc0: 3922 3e3c 6120 786c 696e 6b3a 6872 6566  9\"><a xlink:href\n+0000ccd0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+0000cce0: 5f6f 7074 696f 6e73 2e78 6874 6d6c 2220  _options.xhtml\" \n+0000ccf0: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+0000cd00: 696e 6b3a 7469 746c 653d 226f 7074 696f  ink:title=\"optio\n+0000cd10: 6e73 223e 0a3c 656c 6c69 7073 6520 6669  ns\">.<ellipse fi\n+0000cd20: 6c6c 3d22 2366 6665 3463 6322 2073 7472  ll=\"#ffe4cc\" str\n+0000cd30: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+0000cd40: 3139 3633 2220 6379 3d22 2d34 3639 2e35  1963\" cy=\"-469.5\n+0000cd50: 3322 2072 783d 2233 332e 3838 2220 7279  3\" rx=\"33.88\" ry\n+0000cd60: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+0000cd70: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+0000cd80: 6464 6c65 2220 783d 2231 3936 3322 2079  ddle\" x=\"1963\" y\n+0000cd90: 3d22 2d34 3637 2e30 3322 2066 6f6e 742d  =\"-467.03\" font-\n+0000cda0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+0000cdb0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+0000cdc0: 3030 223e 6f70 7469 6f6e 733c 2f74 6578  00\">options</tex\n+0000cdd0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+0000cde0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000cdf0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0000ce00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000ce10: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n+0000ce20: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6564  ns -->.<g id=\"ed\n+0000ce30: 6765 3635 2220 636c 6173 733d 2265 6467  ge65\" class=\"edg\n+0000ce40: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000ce50: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000ce60: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000ce70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n+0000ce80: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c  ptions</title>.<\n+0000ce90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000cea0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0000ceb0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0000cec0: 6179 3d22 352c 3222 2064 3d22 4d31 3238  ay=\"5,2\" d=\"M128\n+0000ced0: 352e 3135 2c2d 3539 332e 3835 4331 3339  5.15,-593.85C139\n+0000cee0: 322e 3535 2c2d 3539 322e 3039 2031 3734  2.55,-592.09 174\n+0000cef0: 362e 3637 2c2d 3538 332e 3520 3138 3533  6.67,-583.5 1853\n+0000cf00: 2c2d 3534 352e 3833 2031 3838 382e 3035  ,-545.83 1888.05\n+0000cf10: 2c2d 3533 332e 3431 2031 3932 322e 3433  ,-533.41 1922.43\n+0000cf20: 2c2d 3530 362e 3932 2031 3934 332e 3138  ,-506.92 1943.18\n+0000cf30: 2c2d 3438 382e 3931 222f 3e0a 3c70 6f6c  ,-488.91\"/>.<pol\n+0000cf40: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0000cf50: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0000cf60: 6663 6322 2070 6f69 6e74 733d 2231 3934  fcc\" points=\"194\n+0000cf70: 352e 3534 2c2d 3439 312e 3520 3139 3530  5.54,-491.5 1950\n+0000cf80: 2e36 392c 2d34 3832 2e32 3420 3139 3430  .69,-482.24 1940\n+0000cf90: 2e38 392c 2d34 3836 2e32 3620 3139 3435  .89,-486.26 1945\n+0000cfa0: 2e35 342c 2d34 3931 2e35 222f 3e0a 3c2f  .54,-491.5\"/>.</\n+0000cfb0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000cfc0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+0000cfd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000cfe0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+0000cff0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n+0000d000: 6765 3730 2220 636c 6173 733d 2265 6467  ge70\" class=\"edg\n+0000d010: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000d020: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000d030: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0000d040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+0000d050: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n+0000d060: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000d070: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0000d080: 2064 3d22 4d31 3235 362e 3138 2c2d 3630   d=\"M1256.18,-60\n+0000d090: 392e 3035 4331 3236 312e 3537 2c2d 3633  9.05C1261.57,-63\n+0000d0a0: 392e 3339 2031 3237 362e 3232 2c2d 3731  9.39 1276.22,-71\n+0000d0b0: 342e 3733 2031 3239 322c 2d37 3334 2e34  4.73 1292,-734.4\n+0000d0c0: 3420 3133 3036 2e39 332c 2d37 3533 2e30  4 1306.93,-753.0\n+0000d0d0: 3920 3133 3331 2e30 322c 2d37 3635 2e34  9 1331.02,-765.4\n+0000d0e0: 3520 3133 3530 2e36 372c 2d37 3733 2e30  5 1350.67,-773.0\n+0000d0f0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n+0000d100: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+0000d110: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+0000d120: 696e 7473 3d22 3133 3439 2e35 382c 2d37  ints=\"1349.58,-7\n+0000d130: 3736 2e33 3520 3133 3630 2e31 382c 2d37  76.35 1360.18,-7\n+0000d140: 3736 2e34 3620 3133 3531 2e39 362c 2d37  76.46 1351.96,-7\n+0000d150: 3639 2e37 3720 3133 3439 2e35 382c 2d37  69.77 1349.58,-7\n+0000d160: 3736 2e33 3522 2f3e 0a3c 2f67 3e0a 3c21  76.35\"/>.</g>.<!\n+0000d170: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000d180: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0000d190: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000d1a0: 726f 6d61 6373 5f65 7761 6c64 202d 2d3e  romacs_ewald -->\n+0000d1b0: 0a3c 6720 6964 3d22 6564 6765 3639 2220  .<g id=\"edge69\" \n+0000d1c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000d1d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000d1e0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n+0000d1f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000d200: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f  _gromacs_ewald</\n+0000d210: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000d220: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000d230: 2272 6564 2220 643d 224d 3132 3236 2e35  \"red\" d=\"M1226.5\n+0000d240: 382c 2d35 3838 2e38 3643 3131 3837 2e34  8,-588.86C1187.4\n+0000d250: 352c 2d35 3830 2e38 3820 3131 3133 2e35  5,-580.88 1113.5\n+0000d260: 312c 2d35 3634 2e38 3220 3130 3532 2c2d  1,-564.82 1052,-\n+0000d270: 3534 352e 3833 2039 3235 2e36 362c 2d35  545.83 925.66,-5\n+0000d280: 3036 2e38 3220 3737 392e 392c 2d34 3436  06.82 779.9,-446\n+0000d290: 2e35 2037 3138 2e35 382c 2d34 3230 2e34  .5 718.58,-420.4\n+0000d2a0: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n+0000d2b0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n+0000d2c0: 2272 6564 2220 706f 696e 7473 3d22 3731  \"red\" points=\"71\n+0000d2d0: 392e 3732 2c2d 3431 372e 3039 2037 3039  9.72,-417.09 709\n+0000d2e0: 2e31 352c 2d34 3136 2e33 3820 3731 362e  .15,-416.38 716.\n+0000d2f0: 3937 2c2d 3432 332e 3532 2037 3139 2e37  97,-423.52 719.7\n+0000d300: 322c 2d34 3137 2e30 3922 2f3e 0a3c 2f67  2,-417.09\"/>.</g\n+0000d310: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000d320: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+0000d330: 645f 666f 7263 6573 202d 2d3e 0a3c 6720  d_forces -->.<g \n+0000d340: 6964 3d22 6e6f 6465 3434 2220 636c 6173  id=\"node44\" clas\n+0000d350: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+0000d360: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000d370: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+0000d380: 6573 3c2f 7469 746c 653e 0a3c 656c 6c69  es</title>.<elli\n+0000d390: 7073 6520 6669 6c6c 3d22 2362 6662 6662  pse fill=\"#bfbfb\n+0000d3a0: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+0000d3b0: 2220 6378 3d22 3137 3837 2220 6379 3d22  \" cx=\"1787\" cy=\"\n+0000d3c0: 2d35 3332 2e34 2220 7278 3d22 3536 2e36  -532.4\" rx=\"56.6\n+0000d3d0: 3422 2072 793d 2231 332e 3337 222f 3e0a  4\" ry=\"13.37\"/>.\n+0000d3e0: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n+0000d3f0: 723d 226d 6964 646c 6522 2078 3d22 3137  r=\"middle\" x=\"17\n+0000d400: 3837 2220 793d 222d 3532 392e 3922 2066  87\" y=\"-529.9\" f\n+0000d410: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+0000d420: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+0000d430: 2231 302e 3030 223e 6170 706c 6965 645f  \"10.00\">applied_\n+0000d440: 666f 7263 6573 3c2f 7465 7874 3e0a 3c2f  forces</text>.</\n+0000d450: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000d460: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+0000d470: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000d480: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+0000d490: 6965 645f 666f 7263 6573 202d 2d3e 0a3c  ied_forces -->.<\n+0000d4a0: 6720 6964 3d22 6564 6765 3631 2220 636c  g id=\"edge61\" cl\n+0000d4b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000d4c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000d4d0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0000d4e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000d4f0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+0000d500: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70  orces</title>.<p\n+0000d510: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000d520: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+0000d530: 4d31 3238 332e 382c 2d35 3930 2e38 3643  M1283.8,-590.86C\n+0000d540: 3133 3638 2e38 322c 2d35 3831 2e31 3520  1368.82,-581.15 \n+0000d550: 3136 3133 2e37 322c 2d35 3533 2e31 3820  1613.72,-553.18 \n+0000d560: 3137 3237 2e35 342c 2d35 3430 2e31 3922  1727.54,-540.19\"\n+0000d570: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000d580: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+0000d590: 6564 2220 706f 696e 7473 3d22 3137 3237  ed\" points=\"1727\n+0000d5a0: 2e39 342c 2d35 3433 2e36 3620 3137 3337  .94,-543.66 1737\n+0000d5b0: 2e34 382c 2d35 3339 2e30 3520 3137 3237  .48,-539.05 1727\n+0000d5c0: 2e31 352c 2d35 3336 2e37 3120 3137 3237  .15,-536.71 1727\n+0000d5d0: 2e39 342c 2d35 3433 2e36 3622 2f3e 0a3c  .94,-543.66\"/>.<\n+0000d5e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000d5f0: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n+0000d600: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6e6f  om -->.<g id=\"no\n+0000d610: 6465 3435 2220 636c 6173 733d 226e 6f64  de45\" class=\"nod\n+0000d620: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000d630: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n+0000d640: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 6720  ndom</title>.<g \n+0000d650: 6964 3d22 615f 6e6f 6465 3435 223e 3c61  id=\"a_node45\"><a\n+0000d660: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n+0000d670: 7570 5f5f 6d6f 6475 6c65 5f5f 7261 6e64  up__module__rand\n+0000d680: 6f6d 2e78 6874 6d6c 2220 7461 7267 6574  om.xhtml\" target\n+0000d690: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n+0000d6a0: 746c 653d 2272 616e 646f 6d22 3e0a 3c65  tle=\"random\">.<e\n+0000d6b0: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n+0000d6c0: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n+0000d6d0: 6163 6b22 2063 783d 2237 3535 2220 6379  ack\" cx=\"755\" cy\n+0000d6e0: 3d22 2d32 3830 2e39 3222 2072 783d 2233  =\"-280.92\" rx=\"3\n+0000d6f0: 342e 3822 2072 793d 2231 332e 3337 222f  4.8\" ry=\"13.37\"/\n+0000d700: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0000d710: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0000d720: 3735 3522 2079 3d22 2d32 3738 2e34 3222  755\" y=\"-278.42\"\n+0000d730: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+0000d740: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+0000d750: 653d 2231 302e 3030 223e 7261 6e64 6f6d  e=\"10.00\">random\n+0000d760: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n+0000d770: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000d780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000d790: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0000d7a0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000d7b0: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964  random -->.<g id\n+0000d7c0: 3d22 6564 6765 3834 2220 636c 6173 733d  =\"edge84\" class=\n+0000d7d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000d7e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000d7f0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0000d800: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000d810: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65  cs_random</title\n+0000d820: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0000d830: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n+0000d840: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n+0000d850: 7261 793d 2235 2c32 2220 643d 224d 3132  ray=\"5,2\" d=\"M12\n+0000d860: 3238 2e38 312c 2d35 3837 2e32 3643 3132  28.81,-587.26C12\n+0000d870: 3031 2e35 392c 2d35 3739 2e31 3920 3131  01.59,-579.19 11\n+0000d880: 3537 2e33 372c 2d35 3634 2e35 3920 3131  57.37,-564.59 11\n+0000d890: 3232 2c2d 3534 352e 3833 2039 3739 2e38  22,-545.83 979.8\n+0000d8a0: 342c 2d34 3730 2e34 3520 3832 392e 3938  4,-470.45 829.98\n+0000d8b0: 2c2d 3334 362e 3533 2037 3735 2e39 352c  ,-346.53 775.95,\n+0000d8c0: 2d33 3030 2e31 3722 2f3e 0a3c 706f 6c79  -300.17\"/>.<poly\n+0000d8d0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n+0000d8e0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+0000d8f0: 706f 696e 7473 3d22 3737 372e 3937 2c2d  points=\"777.97,-\n+0000d900: 3239 372e 3239 2037 3638 2e31 312c 2d32  297.29 768.11,-2\n+0000d910: 3933 2e34 3220 3737 332e 342c 2d33 3032  93.42 773.4,-302\n+0000d920: 2e36 2037 3737 2e39 372c 2d32 3937 2e32  .6 777.97,-297.2\n+0000d930: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  9\"/>.</g>.<!-- m\n+0000d940: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000d950: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0000d960: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000d970: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+0000d980: 735f 6177 6820 2d2d 3e0a 3c67 2069 643d  s_awh -->.<g id=\n+0000d990: 2265 6467 6538 3222 2063 6c61 7373 3d22  \"edge82\" class=\"\n+0000d9a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000d9b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000d9c0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0000d9d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000d9e0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+0000d9f0: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061  _awh</title>.<pa\n+0000da00: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000da10: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0000da20: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0000da30: 3d22 352c 3222 2064 3d22 4d31 3238 342e  =\"5,2\" d=\"M1284.\n+0000da40: 3131 2c2d 3539 392e 3143 3133 3330 2e30  11,-599.1C1330.0\n+0000da50: 352c 2d36 3034 2e31 3620 3134 3139 2e37  5,-604.16 1419.7\n+0000da60: 392c 2d36 3136 2e39 3320 3134 3931 2c2d  9,-616.93 1491,-\n+0000da70: 3634 342e 3720 3135 3239 2e34 372c 2d36  644.7 1529.47,-6\n+0000da80: 3539 2e37 3120 3135 3639 2e36 322c 2d36  59.71 1569.62,-6\n+0000da90: 3836 2e31 3320 3135 3933 2e37 322c 2d37  86.13 1593.72,-7\n+0000daa0: 3033 2e33 3522 2f3e 0a3c 706f 6c79 676f  03.35\"/>.<polygo\n+0000dab0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+0000dac0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0000dad0: 2220 706f 696e 7473 3d22 3135 3931 2e36  \" points=\"1591.6\n+0000dae0: 392c 2d37 3036 2e32 2031 3630 312e 3834  9,-706.2 1601.84\n+0000daf0: 2c2d 3730 392e 3234 2031 3539 352e 382c  ,-709.24 1595.8,\n+0000db00: 2d37 3030 2e35 3320 3135 3931 2e36 392c  -700.53 1591.69,\n+0000db10: 2d37 3036 2e32 222f 3e0a 3c2f 673e 0a3c  -706.2\"/>.</g>.<\n+0000db20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000db30: 726f 6d61 6373 5f63 6f6f 7264 696e 6174  romacs_coordinat\n+0000db40: 6569 6f20 2d2d 3e0a 3c67 2069 643d 226e  eio -->.<g id=\"n\n+0000db50: 6f64 6531 3522 2063 6c61 7373 3d22 6e6f  ode15\" class=\"no\n+0000db60: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+0000db70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0000db80: 6f6f 7264 696e 6174 6569 6f3c 2f74 6974  oordinateio</tit\n+0000db90: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n+0000dba0: 6531 3522 3e3c 6120 786c 696e 6b3a 6872  e15\"><a xlink:hr\n+0000dbb0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n+0000dbc0: 655f 5f63 6f6f 7264 696e 6174 6569 6f2e  e__coordinateio.\n+0000dbd0: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n+0000dbe0: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n+0000dbf0: 3d22 636f 6f72 6469 6e61 7465 696f 223e  =\"coordinateio\">\n+0000dc00: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+0000dc10: 2366 6663 6363 6322 2073 7472 6f6b 653d  #ffcccc\" stroke=\n+0000dc20: 2262 6c61 636b 2220 6378 3d22 3133 3535  \"black\" cx=\"1355\n+0000dc30: 2220 6379 3d22 2d38 3436 2e37 3522 2072  \" cy=\"-846.75\" r\n+0000dc40: 783d 2234 382e 3538 2220 7279 3d22 3133  x=\"48.58\" ry=\"13\n+0000dc50: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+0000dc60: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+0000dc70: 2220 783d 2231 3335 3522 2079 3d22 2d38  \" x=\"1355\" y=\"-8\n+0000dc80: 3434 2e32 3522 2066 6f6e 742d 6661 6d69  44.25\" font-fami\n+0000dc90: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+0000dca0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+0000dcb0: 636f 6f72 6469 6e61 7465 696f 3c2f 7465  coordinateio</te\n+0000dcc0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+0000dcd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000dce0: 7263 5f67 726f 6d61 6373 5f63 6f6f 7264  rc_gromacs_coord\n+0000dcf0: 696e 6174 6569 6f26 2334 353b 2667 743b  inateio&#45;&gt;\n+0000dd00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000dd10: 6373 5f6f 7074 696f 6e73 202d 2d3e 0a3c  cs_options -->.<\n+0000dd20: 6720 6964 3d22 6564 6765 3836 2220 636c  g id=\"edge86\" cl\n+0000dd30: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000dd40: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000dd50: 6f6d 6163 735f 636f 6f72 6469 6e61 7465  omacs_coordinate\n+0000dd60: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n+0000dd70: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n+0000dd80: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70  tions</title>.<p\n+0000dd90: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000dda0: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+0000ddb0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+0000ddc0: 793d 2235 2c32 2220 643d 224d 3133 3934  y=\"5,2\" d=\"M1394\n+0000ddd0: 2e33 382c 2d38 3338 2e36 3543 3134 3831  .38,-838.65C1481\n+0000dde0: 2e39 352c 2d38 3231 2e34 3820 3136 3937  .95,-821.48 1697\n+0000ddf0: 2e30 312c 2d37 3731 2e35 3620 3138 3438  .01,-771.56 1848\n+0000de00: 2c2d 3637 312e 3537 2031 3931 322e 3431  ,-671.57 1912.41\n+0000de10: 2c2d 3632 382e 3932 2031 3933 392e 3237  ,-628.92 1939.27\n+0000de20: 2c2d 3631 372e 3534 2031 3936 382c 2d35  ,-617.54 1968,-5\n+0000de30: 3435 2e38 3320 3139 3734 2e37 372c 2d35  45.83 1974.77,-5\n+0000de40: 3238 2e39 3320 3139 3732 2e37 322c 2d35  28.93 1972.72,-5\n+0000de50: 3038 2e31 3920 3139 3639 2e34 332c 2d34  08.19 1969.43,-4\n+0000de60: 3932 2e37 3622 2f3e 0a3c 706f 6c79 676f  92.76\"/>.<polygo\n+0000de70: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n+0000de80: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+0000de90: 2220 706f 696e 7473 3d22 3139 3732 2e38  \" points=\"1972.8\n+0000dea0: 322c 2d34 3931 2e39 3220 3139 3637 2e30  2,-491.92 1967.0\n+0000deb0: 342c 2d34 3833 2e30 3420 3139 3636 2e30  4,-483.04 1966.0\n+0000dec0: 332c 2d34 3933 2e35 3920 3139 3732 2e38  3,-493.59 1972.8\n+0000ded0: 322c 2d34 3931 2e39 3222 2f3e 0a3c 2f67  2,-491.92\"/>.</g\n+0000dee0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000def0: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n+0000df00: 7369 676e 6d65 6e74 2623 3435 3b26 6774  signment&#45;&gt\n+0000df10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000df20: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n+0000df30: 3c67 2069 643d 2265 6467 6539 3122 2063  <g id=\"edge91\" c\n+0000df40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000df50: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000df60: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n+0000df70: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n+0000df80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000df90: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+0000dfa0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000dfb0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+0000dfc0: 6266 2220 643d 224d 3533 382e 3133 2c2d  bf\" d=\"M538.13,-\n+0000dfd0: 3438 322e 3837 4335 3330 2e34 322c 2d34  482.87C530.42,-4\n+0000dfe0: 3932 2e32 3120 3532 302e 3334 2c2d 3530  92.21 520.34,-50\n+0000dff0: 352e 3636 2035 3134 2c2d 3531 382e 3936  5.66 514,-518.96\n+0000e000: 2035 3031 2e35 342c 2d35 3435 2e30 3920   501.54,-545.09 \n+0000e010: 3530 312e 3538 2c2d 3535 332e 3235 2034  501.58,-553.25 4\n+0000e020: 3937 2c2d 3538 312e 3833 2034 3731 2e32  97,-581.83 471.2\n+0000e030: 342c 2d37 3432 2e34 3420 3435 342e 3735  4,-742.44 454.75\n+0000e040: 2c2d 3130 3139 2e32 3720 3438 302c 2d31  ,-1019.27 480,-1\n+0000e050: 3034 382e 3739 2035 3132 2e39 382c 2d31  048.79 512.98,-1\n+0000e060: 3038 372e 3334 2036 3632 2e34 352c 2d31  087.34 662.45,-1\n+0000e070: 3039 352e 3432 2037 3430 2e37 372c 2d31  095.42 740.77,-1\n+0000e080: 3039 362e 3937 222f 3e0a 3c70 6f6c 7967  096.97\"/>.<polyg\n+0000e090: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+0000e0a0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0000e0b0: 6622 2070 6f69 6e74 733d 2237 3430 2e38  f\" points=\"740.8\n+0000e0c0: 322c 2d31 3130 302e 3437 2037 3530 2e38  2,-1100.47 750.8\n+0000e0d0: 382c 2d31 3039 372e 3134 2037 3430 2e39  8,-1097.14 740.9\n+0000e0e0: 342c 2d31 3039 332e 3437 2037 3430 2e38  4,-1093.47 740.8\n+0000e0f0: 322c 2d31 3130 302e 3437 222f 3e0a 3c2f  2,-1100.47\"/>.</\n+0000e100: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000e110: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+0000e120: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+0000e130: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e140: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+0000e150: 3c67 2069 643d 2265 6467 6538 3822 2063  <g id=\"edge88\" c\n+0000e160: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000e170: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000e180: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n+0000e190: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n+0000e1a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000e1b0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+0000e1c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000e1d0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0000e1e0: 6622 2064 3d22 4d35 3436 2e34 332c 2d34  f\" d=\"M546.43,-4\n+0000e1f0: 3833 2e30 3143 3533 372e 3137 2c2d 3533  83.01C537.17,-53\n+0000e200: 312e 3838 2035 3130 2e38 322c 2d37 3131  1.88 510.82,-711\n+0000e210: 2e36 3520 3630 342c 2d37 3937 2e33 3120  .65 604,-797.31 \n+0000e220: 3636 312e 3337 2c2d 3835 302e 3035 2037  661.37,-850.05 7\n+0000e230: 3438 2e33 342c 2d38 3833 2e30 3520 3739  48.34,-883.05 79\n+0000e240: 362e 3539 2c2d 3839 382e 3431 222f 3e0a  6.59,-898.41\"/>.\n+0000e250: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0000e260: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+0000e270: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+0000e280: 2237 3935 2e36 392c 2d39 3031 2e38 2038  \"795.69,-901.8 8\n+0000e290: 3036 2e32 382c 2d39 3031 2e34 3220 3739  06.28,-901.42 79\n+0000e2a0: 372e 3737 2c2d 3839 352e 3131 2037 3935  7.77,-895.11 795\n+0000e2b0: 2e36 392c 2d39 3031 2e38 222f 3e0a 3c2f  .69,-901.8\"/>.</\n+0000e2c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000e2d0: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+0000e2e0: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+0000e2f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e300: 6d61 6373 5f67 7075 5f75 7469 6c73 202d  macs_gpu_utils -\n+0000e310: 2d3e 0a3c 6720 6964 3d22 6564 6765 3936  ->.<g id=\"edge96\n+0000e320: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000e330: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000e340: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n+0000e350: 7369 676e 6d65 6e74 2623 3435 3b26 6774  signment&#45;&gt\n+0000e360: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000e370: 6163 735f 6770 755f 7574 696c 733c 2f74  acs_gpu_utils</t\n+0000e380: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000e390: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000e3a0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+0000e3b0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0000e3c0: 643d 224d 3534 322e 3733 2c2d 3438 322e  d=\"M542.73,-482.\n+0000e3d0: 3934 4335 3234 2e32 332c 2d35 3231 2e32  94C524.23,-521.2\n+0000e3e0: 3920 3437 332e 3037 2c2d 3634 302e 3838  9 473.07,-640.88\n+0000e3f0: 2035 3034 2c2d 3733 342e 3434 2035 3532   504,-734.44 552\n+0000e400: 2e34 392c 2d38 3831 2e31 3320 3630 332e  .49,-881.13 603.\n+0000e410: 3431 2c2d 3932 312e 3835 2037 3434 2c2d  41,-921.85 744,-\n+0000e420: 3938 352e 3932 2037 3832 2e36 352c 2d31  985.92 782.65,-1\n+0000e430: 3030 332e 3534 2038 3239 2e34 312c 2d31  003.54 829.41,-1\n+0000e440: 3031 362e 3834 2038 3632 2e33 362c 2d31  016.84 862.36,-1\n+0000e450: 3032 352e 3031 222f 3e0a 3c70 6f6c 7967  025.01\"/>.<polyg\n+0000e460: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0000e470: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000e480: 6322 2070 6f69 6e74 733d 2238 3631 2e35  c\" points=\"861.5\n+0000e490: 382c 2d31 3032 382e 3432 2038 3732 2e31  8,-1028.42 872.1\n+0000e4a0: 322c 2d31 3032 372e 3337 2038 3633 2e32  2,-1027.37 863.2\n+0000e4b0: 332c 2d31 3032 312e 3632 2038 3631 2e35  3,-1021.62 861.5\n+0000e4c0: 382c 2d31 3032 382e 3432 222f 3e0a 3c2f  8,-1028.42\"/>.</\n+0000e4d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000e4e0: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+0000e4f0: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+0000e500: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e510: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n+0000e520: 3c67 2069 643d 2265 6467 6538 3722 2063  <g id=\"edge87\" c\n+0000e530: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000e540: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000e550: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n+0000e560: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n+0000e570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000e580: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n+0000e590: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000e5a0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000e5b0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0000e5c0: 7261 793d 2235 2c32 2220 643d 224d 3535  ray=\"5,2\" d=\"M55\n+0000e5d0: 332e 3531 2c2d 3435 362e 3035 4335 3637  3.51,-456.05C567\n+0000e5e0: 2e34 332c 2d34 3139 2e36 3220 3631 332e  .43,-419.62 613.\n+0000e5f0: 3436 2c2d 3331 332e 3038 2036 3931 2c2d  46,-313.08 691,-\n+0000e600: 3236 372e 3438 2037 3237 2e30 332c 2d32  267.48 727.03,-2\n+0000e610: 3436 2e32 3920 3834 332e 3035 2c2d 3233  46.29 843.05,-23\n+0000e620: 302e 3831 2039 3037 2e36 312c 2d32 3233  0.81 907.61,-223\n+0000e630: 2e35 3922 2f3e 0a3c 706f 6c79 676f 6e20  .59\"/>.<polygon \n+0000e640: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0000e650: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0000e660: 706f 696e 7473 3d22 3930 382e 3333 2c2d  points=\"908.33,-\n+0000e670: 3232 372e 3033 2039 3137 2e38 392c 2d32  227.03 917.89,-2\n+0000e680: 3232 2e34 3620 3930 372e 3537 2c2d 3232  22.46 907.57,-22\n+0000e690: 302e 3037 2039 3038 2e33 332c 2d32 3237  0.07 908.33,-227\n+0000e6a0: 2e30 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .03\"/>.</g>.<!--\n+0000e6b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000e6c0: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+0000e6d0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n+0000e6e0: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n+0000e6f0: 7365 6e74 6961 6c64 796e 616d 6963 7320  sentialdynamics \n+0000e700: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539  -->.<g id=\"edge9\n+0000e710: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+0000e720: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000e730: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+0000e740: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+0000e750: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e760: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+0000e770: 6e61 6d69 6373 3c2f 7469 746c 653e 0a3c  namics</title>.<\n+0000e780: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000e790: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0000e7a0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0000e7b0: 6179 3d22 352c 3222 2064 3d22 4d35 3538  ay=\"5,2\" d=\"M558\n+0000e7c0: 2e32 2c2d 3435 362e 3031 4335 3731 2e33  .2,-456.01C571.3\n+0000e7d0: 312c 2d34 3339 2e31 2035 3937 2e30 332c  1,-439.1 597.03,\n+0000e7e0: 2d34 3039 2e32 3320 3632 362c 2d33 3933  -409.23 626,-393\n+0000e7f0: 2e32 3220 3639 352e 3534 2c2d 3335 342e  .22 695.54,-354.\n+0000e800: 3739 2039 3231 2e33 362c 2d33 3131 2e34  79 921.36,-311.4\n+0000e810: 3620 3130 3330 2e32 332c 2d32 3932 2e31  6 1030.23,-292.1\n+0000e820: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n+0000e830: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0000e840: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0000e850: 696e 7473 3d22 3130 3331 2e31 352c 2d32  ints=\"1031.15,-2\n+0000e860: 3935 2e35 3420 3130 3430 2e33 392c 2d32  95.54 1040.39,-2\n+0000e870: 3930 2e33 3620 3130 3239 2e39 342c 2d32  90.36 1029.94,-2\n+0000e880: 3838 2e36 3520 3130 3331 2e31 352c 2d32  88.65 1031.15,-2\n+0000e890: 3935 2e35 3422 2f3e 0a3c 2f67 3e0a 3c21  95.54\"/>.</g>.<!\n+0000e8a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000e8b0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n+0000e8c0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n+0000e8d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000e8e0: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e  mdrunutility -->\n+0000e8f0: 0a3c 6720 6964 3d22 6564 6765 3930 2220  .<g id=\"edge90\" \n+0000e900: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000e910: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000e920: 6772 6f6d 6163 735f 7461 736b 6173 7369  gromacs_taskassi\n+0000e930: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d  gnment&#45;&gt;m\n+0000e940: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000e950: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n+0000e960: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000e970: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000e980: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0000e990: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0000e9a0: 2064 3d22 4d35 3636 2e34 372c 2d34 3832   d=\"M566.47,-482\n+0000e9b0: 2e34 3643 3630 382e 3234 2c2d 3531 302e  .46C608.24,-510.\n+0000e9c0: 3238 2037 3138 2e31 322c 2d35 3739 2e33  28 718.12,-579.3\n+0000e9d0: 3420 3832 312c 2d36 3038 2e37 2039 3134  4 821,-608.7 914\n+0000e9e0: 2e37 392c 2d36 3335 2e34 3720 3132 3032  .79,-635.47 1202\n+0000e9f0: 2e38 382c 2d36 3439 2e39 2031 3332 362e  .88,-649.9 1326.\n+0000ea00: 3132 2c2d 3635 342e 3939 222f 3e0a 3c70  12,-654.99\"/>.<p\n+0000ea10: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0000ea20: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0000ea30: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+0000ea40: 3332 362e 3333 2c2d 3635 382e 3520 3133  326.33,-658.5 13\n+0000ea50: 3336 2e34 372c 2d36 3535 2e34 3120 3133  36.47,-655.41 13\n+0000ea60: 3236 2e36 322c 2d36 3531 2e35 3120 3133  26.62,-651.51 13\n+0000ea70: 3236 2e33 332c 2d36 3538 2e35 222f 3e0a  26.33,-658.5\"/>.\n+0000ea80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0000ea90: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n+0000eaa0: 6b61 7373 6967 6e6d 656e 7426 2334 353b  kassignment&#45;\n+0000eab0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000eac0: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+0000ead0: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n+0000eae0: 6564 6765 3934 2220 636c 6173 733d 2265  edge94\" class=\"e\n+0000eaf0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000eb00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000eb10: 7461 736b 6173 7369 676e 6d65 6e74 2623  taskassignment&#\n+0000eb20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000eb30: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+0000eb40: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n+0000eb50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000eb60: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000eb70: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0000eb80: 7261 793d 2235 2c32 2220 643d 224d 3530  ray=\"5,2\" d=\"M50\n+0000eb90: 332e 3937 2c2d 3436 302e 3431 4334 3137  3.97,-460.41C417\n+0000eba0: 2e35 362c 2d34 3433 2e35 3520 3233 372c  .56,-443.55 237,\n+0000ebb0: 2d34 3031 2e35 3320 3233 372c 2d33 3434  -401.53 237,-344\n+0000ebc0: 2e37 3920 3233 372c 2d33 3434 2e37 3920  .79 237,-344.79 \n+0000ebd0: 3233 372c 2d33 3434 2e37 3920 3233 372c  237,-344.79 237,\n+0000ebe0: 2d32 3739 2e39 3220 3233 372c 2d32 3434  -279.92 237,-244\n+0000ebf0: 2e32 3920 3234 332e 322c 2d32 3033 2e33  .29 243.2,-203.3\n+0000ec00: 3120 3234 372e 3633 2c2d 3137 382e 3539  1 247.63,-178.59\n+0000ec10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000ec20: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0000ec30: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0000ec40: 6e74 733d 2232 3531 2e30 372c 2d31 3739  nts=\"251.07,-179\n+0000ec50: 2e32 3320 3234 392e 3436 2c2d 3136 382e  .23 249.46,-168.\n+0000ec60: 3736 2032 3434 2e31 392c 2d31 3737 2e39  76 244.19,-177.9\n+0000ec70: 3620 3235 312e 3037 2c2d 3137 392e 3233  6 251.07,-179.23\n+0000ec80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000ec90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000eca0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426  _taskassignment&\n+0000ecb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000ecc0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0000ecd0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000ece0: 3935 2220 636c 6173 733d 2265 6467 6522  95\" class=\"edge\"\n+0000ecf0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000ed00: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+0000ed10: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+0000ed20: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000ed30: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n+0000ed40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000ed50: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0000ed60: 6662 6662 6622 2064 3d22 4d35 3730 2e35  fbfbf\" d=\"M570.5\n+0000ed70: 392c 2d34 3536 2e39 3643 3538 362e 3632  9,-456.96C586.62\n+0000ed80: 2c2d 3434 372e 3932 2036 3038 2e36 2c2d  ,-447.92 608.6,-\n+0000ed90: 3433 342e 3439 2036 3236 2c2d 3432 302e  434.49 626,-420.\n+0000eda0: 3039 2036 3338 2e35 372c 2d34 3039 2e36  09 638.57,-409.6\n+0000edb0: 3920 3633 362e 3238 2c2d 3430 302e 3234  9 636.28,-400.24\n+0000edc0: 2036 3531 2c2d 3339 332e 3232 2037 3131   651,-393.22 711\n+0000edd0: 2e36 352c 2d33 3634 2e33 3120 3131 3832  .65,-364.31 1182\n+0000ede0: 2e34 2c2d 3334 392e 3533 2031 3332 312e  .4,-349.53 1321.\n+0000edf0: 3435 2c2d 3334 352e 3737 222f 3e0a 3c70  45,-345.77\"/>.<p\n+0000ee00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0000ee10: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0000ee20: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+0000ee30: 3332 312e 3733 2c2d 3334 392e 3236 2031  321.73,-349.26 1\n+0000ee40: 3333 312e 3633 2c2d 3334 352e 3439 2031  331.63,-345.49 1\n+0000ee50: 3332 312e 3534 2c2d 3334 322e 3236 2031  321.54,-342.26 1\n+0000ee60: 3332 312e 3733 2c2d 3334 392e 3236 222f  321.73,-349.26\"/\n+0000ee70: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000ee80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0000ee90: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n+0000eea0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000eeb0: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n+0000eec0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n+0000eed0: 6538 3922 2063 6c61 7373 3d22 6564 6765  e89\" class=\"edge\n+0000eee0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000eef0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n+0000ef00: 6b61 7373 6967 6e6d 656e 7426 2334 353b  kassignment&#45;\n+0000ef10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000ef20: 726f 6d61 6373 5f68 6172 6477 6172 653c  romacs_hardware<\n+0000ef30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000ef40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000ef50: 3d22 2362 6662 6662 6622 2064 3d22 4d35  =\"#bfbfbf\" d=\"M5\n+0000ef60: 3038 2e34 382c 2d34 3539 2e34 3643 3434  08.48,-459.46C44\n+0000ef70: 302e 3233 2c2d 3434 322e 3039 2033 3133  0.23,-442.09 313\n+0000ef80: 2e33 362c 2d33 3939 2e35 3620 3335 322c  .36,-399.56 352,\n+0000ef90: 2d33 3330 2e33 3520 3434 392e 3738 2c2d  -330.35 449.78,-\n+0000efa0: 3135 352e 3232 2035 3634 2e32 352c 2d31  155.22 564.25,-1\n+0000efb0: 3735 2e33 3120 3736 322c 2d31 3431 2e37  75.31 762,-141.7\n+0000efc0: 3420 3939 302e 3332 2c2d 3130 322e 3938  4 990.32,-102.98\n+0000efd0: 2031 3732 322e 3634 2c2d 3935 2e30 3520   1722.64,-95.05 \n+0000efe0: 3139 3230 2e33 392c 2d39 332e 3622 2f3e  1920.39,-93.6\"/>\n+0000eff0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0000f000: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0000f010: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+0000f020: 3d22 3139 3230 2e35 312c 2d39 372e 3120  =\"1920.51,-97.1 \n+0000f030: 3139 3330 2e34 392c 2d39 332e 3533 2031  1930.49,-93.53 1\n+0000f040: 3932 302e 3436 2c2d 3930 2e31 2031 3932  920.46,-90.1 192\n+0000f050: 302e 3531 2c2d 3937 2e31 222f 3e0a 3c2f  0.51,-97.1\"/>.</\n+0000f060: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000f070: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+0000f080: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+0000f090: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000f0a0: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n+0000f0b0: 6720 6964 3d22 6564 6765 3933 2220 636c  g id=\"edge93\" cl\n+0000f0c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000f0d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000f0e0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n+0000f0f0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n+0000f100: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000f110: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70  ewald</title>.<p\n+0000f120: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000f130: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+0000f140: 2064 3d22 4d35 3735 2c2d 3435 372e 3232   d=\"M575,-457.22\n+0000f150: 4335 3938 2e38 382c 2d34 3436 2e38 3420  C598.88,-446.84 \n+0000f160: 3633 342e 3234 2c2d 3433 312e 3437 2036  634.24,-431.47 6\n+0000f170: 3539 2e32 332c 2d34 3230 2e36 222f 3e0a  59.23,-420.6\"/>.\n+0000f180: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0000f190: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+0000f1a0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+0000f1b0: 2236 3630 2e38 312c 2d34 3233 2e37 3320  \"660.81,-423.73 \n+0000f1c0: 3636 382e 3539 2c2d 3431 362e 3533 2036  668.59,-416.53 6\n+0000f1d0: 3538 2e30 322c 2d34 3137 2e33 3120 3636  58.02,-417.31 66\n+0000f1e0: 302e 3831 2c2d 3432 332e 3733 222f 3e0a  0.81,-423.73\"/>.\n+0000f1f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0000f200: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c  _src_gromacs_onl\n+0000f210: 696e 6568 656c 7020 2d2d 3e0a 3c67 2069  inehelp -->.<g i\n+0000f220: 643d 226e 6f64 6531 3722 2063 6c61 7373  d=\"node17\" class\n+0000f230: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n+0000f240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000f250: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74  cs_onlinehelp</t\n+0000f260: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n+0000f270: 6f64 6531 3722 3e3c 6120 786c 696e 6b3a  ode17\"><a xlink:\n+0000f280: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n+0000f290: 756c 655f 5f6f 6e6c 696e 6568 656c 702e  ule__onlinehelp.\n+0000f2a0: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n+0000f2b0: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n+0000f2c0: 3d22 6f6e 6c69 6e65 6865 6c70 223e 0a3c  =\"onlinehelp\">.<\n+0000f2d0: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n+0000f2e0: 6665 3463 6322 2073 7472 6f6b 653d 2262  fe4cc\" stroke=\"b\n+0000f2f0: 6c61 636b 2220 6378 3d22 3230 3232 2220  lack\" cx=\"2022\" \n+0000f300: 6379 3d22 2d37 3833 2e38 3822 2072 783d  cy=\"-783.88\" rx=\n+0000f310: 2234 322e 3335 2220 7279 3d22 3133 2e33  \"42.35\" ry=\"13.3\n+0000f320: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+0000f330: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+0000f340: 783d 2232 3032 3222 2079 3d22 2d37 3831  x=\"2022\" y=\"-781\n+0000f350: 2e33 3822 2066 6f6e 742d 6661 6d69 6c79  .38\" font-family\n+0000f360: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+0000f370: 2d73 697a 653d 2231 302e 3030 223e 6f6e  -size=\"10.00\">on\n+0000f380: 6c69 6e65 6865 6c70 3c2f 7465 7874 3e0a  linehelp</text>.\n+0000f390: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n+0000f3a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000f3b0: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+0000f3c0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+0000f3d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000f3e0: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n+0000f3f0: 643d 2265 6467 6539 3822 2063 6c61 7373  d=\"edge98\" class\n+0000f400: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0000f410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000f420: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n+0000f430: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000f440: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+0000f450: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+0000f460: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000f470: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n+0000f480: 3033 2e32 322c 2d31 3539 2e30 3543 3136  03.22,-159.05C16\n+0000f490: 382e 3637 2c2d 3136 332e 3637 2031 3233  8.67,-163.67 123\n+0000f4a0: 2e37 2c2d 3137 352e 3338 2039 362c 2d32  .7,-175.38 96,-2\n+0000f4b0: 3034 2e36 3120 3732 2e32 362c 2d32 3239  04.61 72.26,-229\n+0000f4c0: 2e36 3720 3737 2c2d 3234 352e 3420 3737  .67 77,-245.4 77\n+0000f4d0: 2c2d 3237 392e 3932 2037 372c 2d38 3437  ,-279.92 77,-847\n+0000f4e0: 2e37 3520 3737 2c2d 3834 372e 3735 2037  .75 77,-847.75 7\n+0000f4f0: 372c 2d38 3437 2e37 3520 3737 2c2d 3838  7,-847.75 77,-88\n+0000f500: 332e 3631 2038 312e 3932 2c2d 3839 362e  3.61 81.92,-896.\n+0000f510: 3437 2031 3036 2c2d 3932 332e 3035 2031  47 106,-923.05 1\n+0000f520: 3236 2e38 382c 2d39 3436 2e30 3920 3332  26.88,-946.09 32\n+0000f530: 362e 3139 2c2d 3130 3339 2e39 3420 3335  6.19,-1039.94 35\n+0000f540: 362c 2d31 3034 382e 3739 2034 3931 2e31  6,-1048.79 491.1\n+0000f550: 352c 2d31 3038 382e 3933 2036 3539 2e30  5,-1088.93 659.0\n+0000f560: 322c 2d31 3039 362e 3320 3734 302e 3333  2,-1096.3 740.33\n+0000f570: 2c2d 3130 3937 2e33 3322 2f3e 0a3c 706f  ,-1097.33\"/>.<po\n+0000f580: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+0000f590: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+0000f5a0: 696e 7473 3d22 3734 302e 3732 2c2d 3131  ints=\"740.72,-11\n+0000f5b0: 3030 2e38 3420 3735 302e 3735 2c2d 3130  00.84 750.75,-10\n+0000f5c0: 3937 2e34 3420 3734 302e 3739 2c2d 3130  97.44 740.79,-10\n+0000f5d0: 3933 2e38 3420 3734 302e 3732 2c2d 3131  93.84 740.72,-11\n+0000f5e0: 3030 2e38 3422 2f3e 0a3c 2f67 3e0a 3c21  00.84\"/>.</g>.<!\n+0000f5f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000f600: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n+0000f610: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+0000f620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+0000f630: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+0000f640: 2265 6467 6539 3722 2063 6c61 7373 3d22  \"edge97\" class=\"\n+0000f650: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000f660: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f670: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+0000f680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000f690: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+0000f6a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000f6b0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000f6c0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+0000f6d0: 3231 362e 3239 2c2d 3136 342e 3736 4331  216.29,-164.76C1\n+0000f6e0: 3934 2e34 372c 2d31 3731 2e38 3520 3136  94.47,-171.85 16\n+0000f6f0: 372e 3831 2c2d 3138 342e 3136 2031 3532  7.81,-184.16 152\n+0000f700: 2c2d 3230 342e 3631 2031 3331 2e31 332c  ,-204.61 131.13,\n+0000f710: 2d32 3331 2e36 3120 3133 372c 2d32 3435  -231.61 137,-245\n+0000f720: 2e37 3920 3133 372c 2d32 3739 2e39 3220  .79 137,-279.92 \n+0000f730: 3133 372c 2d37 3834 2e38 3820 3133 372c  137,-784.88 137,\n+0000f740: 2d37 3834 2e38 3820 3133 372c 2d37 3834  -784.88 137,-784\n+0000f750: 2e38 3820 3133 372c 2d38 3139 2031 3236  .88 137,-819 126\n+0000f760: 2e34 2c2d 3833 372e 3631 2031 3532 2c2d  .4,-837.61 152,-\n+0000f770: 3836 302e 3138 2031 3939 2e38 2c2d 3930  860.18 199.8,-90\n+0000f780: 322e 3333 2036 3438 2e35 332c 2d39 3037  2.33 648.53,-907\n+0000f790: 2e38 3420 3738 392e 372c 2d39 3038 2e35  .84 789.7,-908.5\n+0000f7a0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n+0000f7b0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+0000f7c0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+0000f7d0: 696e 7473 3d22 3739 302e 3038 2c2d 3931  ints=\"790.08,-91\n+0000f7e0: 322e 3033 2038 3030 2e30 392c 2d39 3038  2.03 800.09,-908\n+0000f7f0: 2e35 3720 3739 302e 3131 2c2d 3930 352e  .57 790.11,-905.\n+0000f800: 3033 2037 3930 2e30 382c 2d39 3132 2e30  03 790.08,-912.0\n+0000f810: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n+0000f820: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000f830: 735f 6c69 7374 6564 5f66 6f72 6365 7326  s_listed_forces&\n+0000f840: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000f850: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+0000f860: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n+0000f870: 6564 6765 3130 3022 2063 6c61 7373 3d22  edge100\" class=\"\n+0000f880: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000f890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f8a0: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+0000f8b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000f8c0: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+0000f8d0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+0000f8e0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000f8f0: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n+0000f900: 3036 2e34 362c 2d31 3631 2e33 3143 3137  06.46,-161.31C17\n+0000f910: 362e 372c 2d31 3637 2e30 3320 3133 392e  6.7,-167.03 139.\n+0000f920: 3138 2c2d 3137 392e 3131 2031 3136 2c2d  18,-179.11 116,-\n+0000f930: 3230 342e 3631 2039 322e 3738 2c2d 3233  204.61 92.78,-23\n+0000f940: 302e 3135 2039 372c 2d32 3435 2e34 2039  0.15 97,-245.4 9\n+0000f950: 372c 2d32 3739 2e39 3220 3937 2c2d 3834  7,-279.92 97,-84\n+0000f960: 372e 3735 2039 372c 2d38 3437 2e37 3520  7.75 97,-847.75 \n+0000f970: 3937 2c2d 3834 372e 3735 2039 372c 2d38  97,-847.75 97,-8\n+0000f980: 3836 2e32 3920 3130 382e 3339 2c2d 3930  86.29 108.39,-90\n+0000f990: 3120 3134 302c 2d39 3233 2e30 3520 3137  1 140,-923.05 17\n+0000f9a0: 342e 3635 2c2d 3934 372e 3232 2034 3733  4.65,-947.22 473\n+0000f9b0: 2e32 2c2d 3937 392e 3832 2035 3135 2c2d  .2,-979.82 515,-\n+0000f9c0: 3938 352e 3932 2036 3338 2e30 382c 2d31  985.92 638.08,-1\n+0000f9d0: 3030 332e 3839 2037 3833 2e36 382c 2d31  003.89 783.68,-1\n+0000f9e0: 3032 302e 3839 2038 3536 2e39 322c 2d31  020.89 856.92,-1\n+0000f9f0: 3032 392e 3134 222f 3e0a 3c70 6f6c 7967  029.14\"/>.<polyg\n+0000fa00: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n+0000fa10: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n+0000fa20: 733d 2238 3536 2e38 362c 2d31 3033 322e  s=\"856.86,-1032.\n+0000fa30: 3636 2038 3637 2e31 392c 2d31 3033 302e  66 867.19,-1030.\n+0000fa40: 3320 3835 372e 3635 2c2d 3130 3235 2e37  3 857.65,-1025.7\n+0000fa50: 2038 3536 2e38 362c 2d31 3033 322e 3636   856.86,-1032.66\n+0000fa60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000fa70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000fa80: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+0000fa90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000faa0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+0000fab0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000fac0: 3130 3522 2063 6c61 7373 3d22 6564 6765  105\" class=\"edge\n+0000fad0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000fae0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+0000faf0: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n+0000fb00: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000fb10: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469  omacs_domdec</ti\n+0000fb20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000fb30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0000fb40: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+0000fb50: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0000fb60: 3d22 4d32 3939 2e39 372c 2d31 3630 2e30  =\"M299.97,-160.0\n+0000fb70: 3443 3432 392e 3139 2c2d 3137 302e 3931  4C429.19,-170.91\n+0000fb80: 2037 3832 2e37 332c 2d32 3031 2e36 3420   782.73,-201.64 \n+0000fb90: 3930 372e 3634 2c2d 3231 322e 3837 222f  907.64,-212.87\"/\n+0000fba0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0000fbb0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0000fbc0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0000fbd0: 733d 2239 3037 2e33 352c 2d32 3136 2e33  s=\"907.35,-216.3\n+0000fbe0: 3620 3931 372e 3633 2c2d 3231 332e 3737  6 917.63,-213.77\n+0000fbf0: 2039 3037 2e39 382c 2d32 3039 2e33 3920   907.98,-209.39 \n+0000fc00: 3930 372e 3335 2c2d 3231 362e 3336 222f  907.35,-216.36\"/\n+0000fc10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000fc20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n+0000fc30: 6973 7465 645f 666f 7263 6573 2623 3435  isted_forces&#45\n+0000fc40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000fc50: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+0000fc60: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+0000fc70: 6564 6765 3130 3422 2063 6c61 7373 3d22  edge104\" class=\"\n+0000fc80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000fc90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000fca0: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+0000fcb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000fcc0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+0000fcd0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n 0000fce0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000fcf0: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+0000fcf0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n 0000fd00: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000fd10: 6179 3d22 352c 3222 2064 3d22 4d31 3239  ay=\"5,2\" d=\"M129\n-0000fd20: 342e 3133 2c2d 3731 362e 3243 3134 3536  4.13,-716.2C1456\n-0000fd30: 2e30 392c 2d37 3031 2e39 3220 3230 3031  .09,-701.92 2001\n-0000fd40: 2e35 2c2d 3634 372e 3038 2032 3133 392e  .5,-647.08 2139.\n-0000fd50: 3536 2c2d 3534 352e 3833 2032 3137 342e  56,-545.83 2174.\n-0000fd60: 3133 2c2d 3532 302e 3438 2032 3334 382e  13,-520.48 2348.\n-0000fd70: 3139 2c2d 3233 362e 3531 2032 3331 392e  19,-236.51 2319.\n-0000fd80: 3536 2c2d 3230 342e 3631 2032 3235 312e  56,-204.61 2251.\n-0000fd90: 3536 2c2d 3132 382e 3833 2031 3530 322e  56,-128.83 1502.\n-0000fda0: 3739 2c2d 3134 342e 3320 3134 3038 2e35  79,-144.3 1408.5\n-0000fdb0: 362c 2d31 3035 2e37 3420 3133 3930 2e37  6,-105.74 1390.7\n-0000fdc0: 332c 2d39 382e 3435 2031 3339 302e 3132  3,-98.45 1390.12\n-0000fdd0: 2c2d 3930 2e32 3220 3133 3734 2e35 362c  ,-90.22 1374.56,\n-0000fde0: 2d37 382e 3837 2031 3335 392e 3339 2c2d  -78.87 1359.39,-\n-0000fdf0: 3637 2e38 2031 3334 312e 3931 2c2d 3536  67.8 1341.91,-56\n-0000fe00: 2e30 3220 3133 3237 2e39 382c 2d34 362e  .02 1327.98,-46.\n-0000fe10: 3835 222f 3e0a 3c70 6f6c 7967 6f6e 2066  85\"/>.<polygon f\n-0000fe20: 696c 6c3d 2223 3263 6363 3238 2220 7374  ill=\"#2ccc28\" st\n-0000fe30: 726f 6b65 3d22 2332 6363 6332 3822 2070  roke=\"#2ccc28\" p\n-0000fe40: 6f69 6e74 733d 2231 3332 392e 3638 2c2d  oints=\"1329.68,-\n-0000fe50: 3433 2e37 3820 3133 3139 2e34 2c2d 3431  43.78 1319.4,-41\n-0000fe60: 2e32 3420 3133 3235 2e38 352c 2d34 392e  .24 1325.85,-49.\n-0000fe70: 3634 2031 3332 392e 3638 2c2d 3433 2e37  64 1329.68,-43.7\n-0000fe80: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n-0000fe90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000fea0: 735f 7369 6d64 202d 2d3e 0a3c 6720 6964  s_simd -->.<g id\n-0000feb0: 3d22 6e6f 6465 3137 2220 636c 6173 733d  =\"node17\" class=\n-0000fec0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-0000fed0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000fee0: 735f 7369 6d64 3c2f 7469 746c 653e 0a3c  s_simd</title>.<\n-0000fef0: 6720 6964 3d22 615f 6e6f 6465 3137 223e  g id=\"a_node17\">\n-0000ff00: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n-0000ff10: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 7369  roup__module__si\n-0000ff20: 6d64 2e78 6874 6d6c 2220 7461 7267 6574  md.xhtml\" target\n-0000ff30: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n-0000ff40: 746c 653d 2273 696d 6422 3e0a 3c65 6c6c  tle=\"simd\">.<ell\n-0000ff50: 6970 7365 2066 696c 6c3d 2223 6666 6534  ipse fill=\"#ffe4\n-0000ff60: 6363 2220 7374 726f 6b65 3d22 626c 6163  cc\" stroke=\"blac\n-0000ff70: 6b22 2063 783d 2232 3036 382e 3536 2220  k\" cx=\"2068.56\" \n-0000ff80: 6379 3d22 2d31 3136 312e 3122 2072 783d  cy=\"-1161.1\" rx=\n-0000ff90: 2232 3722 2072 793d 2231 332e 3337 222f  \"27\" ry=\"13.37\"/\n-0000ffa0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-0000ffb0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-0000ffc0: 3230 3638 2e35 3622 2079 3d22 2d31 3135  2068.56\" y=\"-115\n-0000ffd0: 382e 3622 2066 6f6e 742d 6661 6d69 6c79  8.6\" font-family\n-0000ffe0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-0000fff0: 2d73 697a 653d 2231 302e 3030 223e 7369  -size=\"10.00\">si\n-00010000: 6d64 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  md</text>.</a>.<\n-00010010: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n-00010020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00010030: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64  _fft&#45;&gt;mod\n-00010040: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00010050: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n-00010060: 6964 3d22 6564 6765 3839 2220 636c 6173  id=\"edge89\" clas\n-00010070: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00010080: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00010090: 6163 735f 6666 7426 2334 353b 2667 743b  acs_fft&#45;&gt;\n-000100a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000100b0: 6373 5f68 6172 6477 6172 653c 2f74 6974  cs_hardware</tit\n-000100c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000100d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-000100e0: 6422 2064 3d22 4d32 3738 2e37 392c 2d32  d\" d=\"M278.79,-2\n-000100f0: 3331 2e33 3843 3236 392e 3039 2c2d 3235  31.38C269.09,-25\n-00010100: 332e 3320 3235 302e 3536 2c2d 3330 302e  3.3 250.56,-300.\n-00010110: 3638 2032 3530 2e35 362c 2d33 3432 2e37  68 250.56,-342.7\n-00010120: 3920 3235 302e 3536 2c2d 3931 302e 3632  9 250.56,-910.62\n-00010130: 2032 3530 2e35 362c 2d39 3130 2e36 3220   250.56,-910.62 \n-00010140: 3235 302e 3536 2c2d 3931 302e 3632 2032  250.56,-910.62 2\n-00010150: 3530 2e35 362c 2d31 3132 3420 3437 342e  50.56,-1124 474.\n-00010160: 3534 2c2d 3130 3837 2e35 3920 3638 362e  54,-1087.59 686.\n-00010170: 3536 2c2d 3131 3131 2e36 3620 3133 3132  56,-1111.66 1312\n-00010180: 2e39 362c 2d31 3138 322e 3738 2031 3438  .96,-1182.78 148\n-00010190: 302e 3034 2c2d 3130 3631 2e35 3920 3231  0.04,-1061.59 21\n-000101a0: 3034 2e35 362c 2d31 3134 372e 3636 2032  04.56,-1147.66 2\n-000101b0: 3130 382e 3031 2c2d 3131 3438 2e31 3420  108.01,-1148.14 \n-000101c0: 3231 3131 2e35 372c 2d31 3134 382e 3736  2111.57,-1148.76\n-000101d0: 2032 3131 352e 3132 2c2d 3131 3439 2e34   2115.12,-1149.4\n-000101e0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n-000101f0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-00010200: 2272 6564 2220 706f 696e 7473 3d22 3231  \"red\" points=\"21\n-00010210: 3134 2e34 392c 2d31 3135 322e 3933 2032  14.49,-1152.93 2\n-00010220: 3132 352e 3031 2c2d 3131 3531 2e37 3120  125.01,-1151.71 \n-00010230: 3231 3136 2e30 332c 2d31 3134 362e 3120  2116.03,-1146.1 \n-00010240: 3231 3134 2e34 392c 2d31 3135 322e 3933  2114.49,-1152.93\n-00010250: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00010260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00010270: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64  _fft&#45;&gt;mod\n-00010280: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00010290: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67  gpu_utils -->.<g\n-000102a0: 2069 643d 2265 6467 6538 3822 2063 6c61   id=\"edge88\" cla\n-000102b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000102c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000102d0: 6d61 6373 5f66 6674 2623 3435 3b26 6774  macs_fft&#45;&gt\n-000102e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000102f0: 6163 735f 6770 755f 7574 696c 733c 2f74  acs_gpu_utils</t\n-00010300: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00010310: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00010320: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00010330: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00010340: 643d 224d 3238 352e 3538 2c2d 3233 312e  d=\"M285.58,-231.\n-00010350: 3638 4332 3837 2e32 392c 2d32 3534 2e30  68C287.29,-254.0\n-00010360: 3620 3239 302e 3536 2c2d 3330 322e 3134  6 290.56,-302.14\n-00010370: 2032 3930 2e35 362c 2d33 3432 2e37 3920   290.56,-342.79 \n-00010380: 3239 302e 3536 2c2d 3931 302e 3632 2032  290.56,-910.62 2\n-00010390: 3930 2e35 362c 2d39 3130 2e36 3220 3239  90.56,-910.62 29\n-000103a0: 302e 3536 2c2d 3931 302e 3632 2032 3930  0.56,-910.62 290\n-000103b0: 2e35 362c 2d39 3434 2e36 3620 3238 302e  .56,-944.66 280.\n-000103c0: 3032 2c2d 3936 322e 3333 2033 3034 2e35  02,-962.33 304.5\n-000103d0: 362c 2d39 3835 2e39 3220 3333 392e 3631  6,-985.92 339.61\n-000103e0: 2c2d 3130 3139 2e36 3120 3638 392e 3134  ,-1019.61 689.14\n-000103f0: 2c2d 3130 3434 2e33 3820 3733 372e 3536  ,-1044.38 737.56\n-00010400: 2c2d 3130 3438 2e37 3920 3938 352e 3537  ,-1048.79 985.57\n-00010410: 2c2d 3130 3731 2e33 3820 3137 3734 2e33  ,-1071.38 1774.3\n-00010420: 2c2d 3130 3931 2e32 2031 3938 302e 3037  ,-1091.2 1980.07\n-00010430: 2c2d 3130 3936 2e30 3822 2f3e 0a3c 706f  ,-1096.08\"/>.<po\n-00010440: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00010450: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00010460: 3266 6363 2220 706f 696e 7473 3d22 3139  2fcc\" points=\"19\n-00010470: 3830 2e31 392c 2d31 3039 392e 3538 2031  80.19,-1099.58 1\n-00010480: 3939 302e 3237 2c2d 3130 3936 2e33 3220  990.27,-1096.32 \n-00010490: 3139 3830 2e33 362c 2d31 3039 322e 3538  1980.36,-1092.58\n-000104a0: 2031 3938 302e 3139 2c2d 3130 3939 2e35   1980.19,-1099.5\n-000104b0: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n-000104c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000104d0: 735f 7377 6170 202d 2d3e 0a3c 6720 6964  s_swap -->.<g id\n-000104e0: 3d22 6e6f 6465 3139 2220 636c 6173 733d  =\"node19\" class=\n-000104f0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-00010500: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00010510: 735f 7377 6170 3c2f 7469 746c 653e 0a3c  s_swap</title>.<\n-00010520: 6720 6964 3d22 615f 6e6f 6465 3139 223e  g id=\"a_node19\">\n-00010530: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n-00010540: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 7377  roup__module__sw\n-00010550: 6170 2e78 6874 6d6c 2220 7461 7267 6574  ap.xhtml\" target\n-00010560: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n-00010570: 746c 653d 2273 7761 7022 3e0a 3c65 6c6c  tle=\"swap\">.<ell\n-00010580: 6970 7365 2066 696c 6c3d 2223 6535 6363  ipse fill=\"#e5cc\n-00010590: 6666 2220 7374 726f 6b65 3d22 626c 6163  ff\" stroke=\"blac\n-000105a0: 6b22 2063 783d 2231 3934 372e 3536 2220  k\" cx=\"1947.56\" \n-000105b0: 6379 3d22 2d33 3433 2e37 3922 2072 783d  cy=\"-343.79\" rx=\n-000105c0: 2232 372e 3635 2220 7279 3d22 3133 2e33  \"27.65\" ry=\"13.3\n-000105d0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-000105e0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-000105f0: 783d 2231 3934 372e 3536 2220 793d 222d  x=\"1947.56\" y=\"-\n-00010600: 3334 312e 3239 2220 666f 6e74 2d66 616d  341.29\" font-fam\n-00010610: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00010620: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00010630: 3e73 7761 703c 2f74 6578 743e 0a3c 2f61  >swap</text>.</a\n-00010640: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n-00010650: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00010660: 6163 735f 7377 6170 2623 3435 3b26 6774  acs_swap&#45;&gt\n-00010670: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00010680: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n-00010690: 3c67 2069 643d 2265 6467 6539 3522 2063  <g id=\"edge95\" c\n-000106a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-000106b0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-000106c0: 726f 6d61 6373 5f73 7761 7026 2334 353b  romacs_swap&#45;\n-000106d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000106e0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f  romacs_mdtypes</\n-000106f0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00010700: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00010710: 2223 6266 6266 6266 2220 643d 224d 3139  \"#bfbfbf\" d=\"M19\n-00010720: 3632 2e38 372c 2d33 3535 2e33 3643 3230  62.87,-355.36C20\n-00010730: 3231 2e33 392c 2d33 3937 2e30 3720 3232  21.39,-397.07 22\n-00010740: 3233 2e35 372c 2d35 3533 2e36 3820 3231  23.57,-553.68 21\n-00010750: 3339 2e35 362c 2d36 3731 2e35 3720 3230  39.56,-671.57 20\n-00010760: 3939 2e34 382c 2d37 3237 2e38 3220 3138  99.48,-727.82 18\n-00010770: 3930 2e37 322c 2d37 3633 2e35 3520 3137  90.72,-763.55 17\n-00010780: 3937 2e35 342c 2d37 3736 2e39 3222 2f3e  97.54,-776.92\"/>\n-00010790: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000107a0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-000107b0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-000107c0: 3d22 3137 3936 2e39 382c 2d37 3733 2e34  =\"1796.98,-773.4\n-000107d0: 3720 3137 3837 2e35 372c 2d37 3738 2e33  7 1787.57,-778.3\n-000107e0: 3320 3137 3937 2e39 362c 2d37 3830 2e34  3 1797.96,-780.4\n-000107f0: 2031 3739 362e 3938 2c2d 3737 332e 3437   1796.98,-773.47\n-00010800: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00010810: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00010820: 5f73 7761 7026 2334 353b 2667 743b 6d6f  _swap&#45;&gt;mo\n-00010830: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00010840: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n-00010850: 643d 2265 6467 6539 3122 2063 6c61 7373  d=\"edge91\" class\n-00010860: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00010870: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00010880: 6373 5f73 7761 7026 2334 353b 2667 743b  cs_swap&#45;&gt;\n-00010890: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000108a0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n-000108b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000108c0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-000108d0: 6662 6622 2064 3d22 4d31 3934 342e 392c  fbf\" d=\"M1944.9,\n-000108e0: 2d33 3537 2e33 3343 3139 3335 2e30 362c  -357.33C1935.06,\n-000108f0: 2d34 3030 2e34 3720 3138 3936 2e33 392c  -400.47 1896.39,\n-00010900: 2d35 3433 2e36 3120 3138 3034 2e35 362c  -543.61 1804.56,\n-00010910: 2d36 3038 2e37 2031 3736 322e 3533 2c2d  -608.7 1762.53,-\n-00010920: 3633 382e 3439 2031 3631 302e 3731 2c2d  638.49 1610.71,-\n-00010930: 3635 302e 3935 2031 3533 392e 3638 2c2d  650.95 1539.68,-\n-00010940: 3635 352e 3233 222f 3e0a 3c70 6f6c 7967  655.23\"/>.<polyg\n-00010950: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00010960: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00010970: 6622 2070 6f69 6e74 733d 2231 3533 392e  f\" points=\"1539.\n-00010980: 3139 2c2d 3635 312e 3736 2031 3532 392e  19,-651.76 1529.\n-00010990: 3431 2c2d 3635 352e 3833 2031 3533 392e  41,-655.83 1539.\n-000109a0: 362c 2d36 3538 2e37 3420 3135 3339 2e31  6,-658.74 1539.1\n-000109b0: 392c 2d36 3531 2e37 3622 2f3e 0a3c 2f67  9,-651.76\"/>.</g\n-000109c0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000109d0: 635f 6772 6f6d 6163 735f 7377 6170 2623  c_gromacs_swap&#\n-000109e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000109f0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-00010a00: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539  -->.<g id=\"edge9\n-00010a10: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n-00010a20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00010a30: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n-00010a40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00010a50: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00010a60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00010a70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00010a80: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00010a90: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00010aa0: 3222 2064 3d22 4d31 3933 302e 3839 2c2d  2\" d=\"M1930.89,-\n-00010ab0: 3333 322e 3837 4331 3839 342e 3631 2c2d  332.87C1894.61,-\n-00010ac0: 3331 312e 3238 2031 3830 382e 3237 2c2d  311.28 1808.27,-\n-00010ad0: 3235 392e 3932 2031 3736 352e 3038 2c2d  259.92 1765.08,-\n-00010ae0: 3233 342e 3233 222f 3e0a 3c70 6f6c 7967  234.23\"/>.<polyg\n-00010af0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00010b00: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00010b10: 6322 2070 6f69 6e74 733d 2231 3736 362e  c\" points=\"1766.\n-00010b20: 3639 2c2d 3233 312e 3131 2031 3735 362e  69,-231.11 1756.\n-00010b30: 3331 2c2d 3232 392e 3031 2031 3736 332e  31,-229.01 1763.\n-00010b40: 3131 2c2d 3233 372e 3133 2031 3736 362e  11,-237.13 1766.\n-00010b50: 3639 2c2d 3233 312e 3131 222f 3e0a 3c2f  69,-231.11\"/>.</\n-00010b60: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00010b70: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n-00010b80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00010b90: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-00010ba0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467  c -->.<g id=\"edg\n-00010bb0: 6539 3022 2063 6c61 7373 3d22 6564 6765  e90\" class=\"edge\n-00010bc0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00010bd0: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n-00010be0: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n-00010bf0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-00010c00: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174  dec</title>.<pat\n-00010c10: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00010c20: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00010c30: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00010c40: 2235 2c32 2220 643d 224d 3139 3534 2e32  \"5,2\" d=\"M1954.2\n-00010c50: 2c2d 3335 372e 3035 4331 3936 352e 3537  ,-357.05C1965.57\n-00010c60: 2c2d 3337 382e 3035 2031 3938 382e 3839  ,-378.05 1988.89\n-00010c70: 2c2d 3432 312e 3132 2032 3030 322e 3939  ,-421.12 2002.99\n-00010c80: 2c2d 3434 372e 3135 222f 3e0a 3c70 6f6c  ,-447.15\"/>.<pol\n-00010c90: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00010ca0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00010cb0: 6663 6322 2070 6f69 6e74 733d 2232 3030  fcc\" points=\"200\n-00010cc0: 302e 3035 2c2d 3434 392e 3038 2032 3030  0.05,-449.08 200\n-00010cd0: 372e 3839 2c2d 3435 362e 3231 2032 3030  7.89,-456.21 200\n-00010ce0: 362e 3231 2c2d 3434 352e 3735 2032 3030  6.21,-445.75 200\n-00010cf0: 302e 3035 2c2d 3434 392e 3038 222f 3e0a  0.05,-449.08\"/>.\n-00010d00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00010d10: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n-00010d20: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n-00010d30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00010d40: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n-00010d50: 6467 6539 3222 2063 6c61 7373 3d22 6564  dge92\" class=\"ed\n-00010d60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00010d70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n-00010d80: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n-00010d90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00010da0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n-00010db0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00010dc0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00010dd0: 2064 3d22 4d31 3935 302e 3338 2c2d 3335   d=\"M1950.38,-35\n-00010de0: 372e 3443 3139 3539 2e38 322c 2d34 3032  7.4C1959.82,-402\n-00010df0: 2e35 3220 3139 3836 2e39 382c 2d35 3539  .52 1986.98,-559\n-00010e00: 2e31 3820 3139 3336 2e35 362c 2d36 3731  .18 1936.56,-671\n-00010e10: 2e35 3720 3139 3032 2e37 332c 2d37 3436  .57 1902.73,-746\n-00010e20: 2e39 3820 3138 3733 2e38 392c 2d37 3631  .98 1873.89,-761\n-00010e30: 2e31 3820 3137 3939 2e35 362c 2d37 3937  .18 1799.56,-797\n-00010e40: 2e33 3120 3137 3630 2e33 372c 2d38 3136  .31 1760.37,-816\n-00010e50: 2e33 3620 3136 3338 2e31 312c 2d38 3333  .36 1638.11,-833\n-00010e60: 2e32 3520 3135 3733 2e38 392c 2d38 3431  .25 1573.89,-841\n-00010e70: 2e31 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .1\"/>.<polygon f\n-00010e80: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00010e90: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00010ea0: 6f69 6e74 733d 2231 3537 332e 3234 2c2d  oints=\"1573.24,-\n-00010eb0: 3833 372e 3635 2031 3536 332e 3733 2c2d  837.65 1563.73,-\n-00010ec0: 3834 322e 3333 2031 3537 342e 3038 2c2d  842.33 1574.08,-\n-00010ed0: 3834 342e 3620 3135 3733 2e32 342c 2d38  844.6 1573.24,-8\n-00010ee0: 3337 2e36 3522 2f3e 0a3c 2f67 3e0a 3c21  37.65\"/>.</g>.<!\n-00010ef0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00010f00: 6f6d 6163 735f 7377 6170 2623 3435 3b26  omacs_swap&#45;&\n-00010f10: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00010f20: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-00010f30: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n-00010f40: 6765 3934 2220 636c 6173 733d 2265 6467  ge94\" class=\"edg\n-00010f50: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00010f60: 655f 7372 635f 6772 6f6d 6163 735f 7377  e_src_gromacs_sw\n-00010f70: 6170 2623 3435 3b26 6774 3b6d 6f64 756c  ap&#45;&gt;modul\n-00010f80: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00010f90: 7275 6e75 7469 6c69 7479 3c2f 7469 746c  runutility</titl\n-00010fa0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00010fb0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00010fc0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00010fd0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00010fe0: 4d31 3936 362e 3335 2c2d 3335 332e 3636  M1966.35,-353.66\n-00010ff0: 4331 3938 342e 3139 2c2d 3336 322e 3520  C1984.19,-362.5 \n-00011000: 3230 3131 2e33 352c 2d33 3737 2e30 3620  2011.35,-377.06 \n-00011010: 3230 3332 2e35 362c 2d33 3933 2e32 3220  2032.56,-393.22 \n-00011020: 3231 3133 2e35 342c 2d34 3534 2e39 3320  2113.54,-454.93 \n-00011030: 3231 3435 2e35 312c 2d34 3831 2e34 3620  2145.51,-481.46 \n-00011040: 3231 3632 2e35 362c 2d35 3831 2e38 3320  2162.56,-581.83 \n-00011050: 3231 3832 2e38 372c 2d37 3031 2e33 3420  2182.87,-701.34 \n-00011060: 3231 3033 2e31 362c 2d38 3336 2e36 3620  2103.16,-836.66 \n-00011070: 3230 3639 2e32 312c 2d38 3837 2e36 3822  2069.21,-887.68\"\n-00011080: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00011090: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-000110a0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-000110b0: 7473 3d22 3230 3636 2e31 342c 2d38 3835  ts=\"2066.14,-885\n-000110c0: 2e39 3620 3230 3633 2e34 332c 2d38 3936  .96 2063.43,-896\n-000110d0: 2e32 2032 3037 312e 3934 2c2d 3838 392e  .2 2071.94,-889.\n-000110e0: 3838 2032 3036 362e 3134 2c2d 3838 352e  88 2066.14,-885.\n-000110f0: 3936 222f 3e0a 3c2f 673e 0a3c 212d 2d20  96\"/>.</g>.<!-- \n-00011100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00011110: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-00011120: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00011130: 6163 735f 6861 7264 7761 7265 202d 2d3e  acs_hardware -->\n-00011140: 0a3c 6720 6964 3d22 6564 6765 3131 3622  .<g id=\"edge116\"\n-00011150: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00011160: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00011170: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00011180: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00011190: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-000111a0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n-000111b0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000111c0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-000111d0: 224d 3137 3935 2e39 372c 2d34 3138 4331  \"M1795.97,-418C1\n-000111e0: 3831 312e 3134 2c2d 3432 372e 3320 3138  811.14,-427.3 18\n-000111f0: 3333 2e34 392c 2d34 3431 2e36 3720 3138  33.49,-441.67 18\n-00011200: 3531 2e35 362c 2d34 3536 2e30 3920 3138  51.56,-456.09 18\n-00011210: 3833 2e32 332c 2d34 3831 2e33 3620 3138  83.23,-481.36 18\n-00011220: 3838 2e33 332c 2d34 3930 2e39 3120 3139  88.33,-490.91 19\n-00011230: 3137 2e35 362c 2d35 3138 2e39 3620 3230  17.56,-518.96 20\n-00011240: 3832 2e37 342c 2d36 3737 2e35 3220 3232  82.74,-677.52 22\n-00011250: 3534 2e35 362c 2d36 3739 2e36 3520 3232  54.56,-679.65 22\n-00011260: 3534 2e35 362c 2d39 3038 2e36 3220 3232  54.56,-908.62 22\n-00011270: 3534 2e35 362c 2d31 3033 362e 3336 2032  54.56,-1036.36 2\n-00011280: 3235 342e 3536 2c2d 3130 3336 2e33 3620  254.56,-1036.36 \n-00011290: 3232 3534 2e35 362c 2d31 3033 362e 3336  2254.56,-1036.36\n-000112a0: 2032 3235 342e 3536 2c2d 3130 3833 2e33   2254.56,-1083.3\n-000112b0: 2032 3231 302e 3339 2c2d 3131 3232 2e32   2210.39,-1122.2\n-000112c0: 3720 3231 3830 2e34 372c 2d31 3134 332e  7 2180.47,-1143.\n-000112d0: 3238 222f 3e0a 3c70 6f6c 7967 6f6e 2066  28\"/>.<polygon f\n-000112e0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000112f0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00011300: 6f69 6e74 733d 2232 3137 382e 342c 2d31  oints=\"2178.4,-1\n-00011310: 3134 302e 3436 2032 3137 322e 3038 2c2d  140.46 2172.08,-\n-00011320: 3131 3438 2e39 3720 3231 3832 2e33 332c  1148.97 2182.33,\n-00011330: 2d31 3134 362e 3235 2032 3137 382e 342c  -1146.25 2178.4,\n-00011340: 2d31 3134 302e 3436 222f 3e0a 3c2f 673e  -1140.46\"/>.</g>\n-00011350: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00011360: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00011370: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00011380: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00011390: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-000113a0: 6531 3038 2220 636c 6173 733d 2265 6467  e108\" class=\"edg\n-000113b0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000113c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-000113d0: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-000113e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000113f0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n-00011400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00011410: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n-00011420: 224d 3137 3737 2e30 382c 2d34 3230 2e34  \"M1777.08,-420.4\n-00011430: 3443 3137 3734 2e37 312c 2d34 3435 2e35  4C1774.71,-445.5\n-00011440: 3420 3137 3731 2e39 342c 2d35 3032 2e36  4 1771.94,-502.6\n-00011450: 2031 3738 392e 3536 2c2d 3534 352e 3833   1789.56,-545.83\n-00011460: 2031 3739 372e 3432 2c2d 3536 352e 3132   1797.42,-565.12\n-00011470: 2031 3830 392e 3535 2c2d 3536 332e 3537   1809.55,-563.57\n-00011480: 2031 3831 392e 3536 2c2d 3538 312e 3833   1819.56,-581.83\n-00011490: 2031 3837 372e 3831 2c2d 3638 382e 3131   1877.81,-688.11\n-000114a0: 2031 3838 332e 3032 2c2d 3639 382e 3037   1883.02,-698.07\n-000114b0: 2031 3835 392e 3536 2c2d 3733 342e 3434   1859.56,-734.44\n-000114c0: 2031 3834 352e 362c 2d37 3536 2e30 3820   1845.6,-756.08 \n-000114d0: 3138 3139 2e33 372c 2d37 3638 2e31 3620  1819.37,-768.16 \n-000114e0: 3137 3936 2e33 372c 2d37 3734 2e38 3422  1796.37,-774.84\"\n-000114f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00011500: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00011510: 6564 2220 706f 696e 7473 3d22 3137 3935  ed\" points=\"1795\n-00011520: 2e32 2c2d 3737 312e 3533 2031 3738 362e  .2,-771.53 1786.\n-00011530: 3433 2c2d 3737 372e 3437 2031 3739 362e  43,-777.47 1796.\n-00011540: 3939 2c2d 3737 382e 3320 3137 3935 2e32  99,-778.3 1795.2\n-00011550: 2c2d 3737 312e 3533 222f 3e0a 3c2f 673e  ,-771.53\"/>.</g>\n-00011560: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00011570: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00011580: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00011590: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-000115a0: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d  dline -->.<g id=\n-000115b0: 2265 6467 6539 3822 2063 6c61 7373 3d22  \"edge98\" class=\"\n-000115c0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000115d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000115e0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n-000115f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00011600: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n-00011610: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00011620: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00011630: 2332 3832 6663 6322 2064 3d22 4d31 3830  #282fcc\" d=\"M180\n-00011640: 392e 3131 2c2d 3430 332e 3839 4331 3839  9.11,-403.89C189\n-00011650: 332e 3036 2c2d 3339 382e 3731 2032 3132  3.06,-398.71 212\n-00011660: 322e 3531 2c2d 3338 322e 3338 2032 3134  2.51,-382.38 214\n-00011670: 342e 3536 2c2d 3335 372e 3232 2032 3135  4.56,-357.22 215\n-00011680: 322e 3433 2c2d 3334 382e 3234 2032 3135  2.43,-348.24 215\n-00011690: 302e 3739 2c2d 3334 302e 3534 2032 3134  0.79,-340.54 214\n-000116a0: 342e 3536 2c2d 3333 302e 3335 2031 3938  4.56,-330.35 198\n-000116b0: 342e 3637 2c2d 3639 2e30 3620 3137 3730  4.67,-69.06 1770\n-000116c0: 2e31 342c 2d32 3439 2e30 3420 3134 3734  .14,-249.04 1474\n-000116d0: 2e35 362c 2d31 3638 2e36 3120 3134 3232  .56,-168.61 1422\n-000116e0: 2e36 2c2d 3135 342e 3437 2031 3336 362e  .6,-154.47 1366.\n-000116f0: 3038 2c2d 3132 372e 3232 2031 3333 322e  08,-127.22 1332.\n-00011700: 3532 2c2d 3130 392e 3637 222f 3e0a 3c70  52,-109.67\"/>.<p\n-00011710: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00011720: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00011730: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-00011740: 3333 332e 3735 2c2d 3130 362e 3337 2031  333.75,-106.37 1\n-00011750: 3332 332e 3238 2c2d 3130 342e 3738 2031  323.28,-104.78 1\n-00011760: 3333 302e 3438 2c2d 3131 322e 3535 2031  330.48,-112.55 1\n-00011770: 3333 332e 3735 2c2d 3130 362e 3337 222f  333.75,-106.37\"/\n-00011780: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00011790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000117a0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-000117b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000117c0: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67  gpu_utils -->.<g\n-000117d0: 2069 643d 2265 6467 6531 3035 2220 636c   id=\"edge105\" cl\n-000117e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000117f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00011800: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n-00011810: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00011820: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-00011830: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00011840: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00011850: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00011860: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00011870: 3222 2064 3d22 4d31 3739 312e 3637 2c2d  2\" d=\"M1791.67,-\n-00011880: 3431 382e 3935 4331 3830 322e 3736 2c2d  418.95C1802.76,-\n-00011890: 3432 382e 3631 2031 3831 382e 3936 2c2d  428.61 1818.96,-\n-000118a0: 3434 322e 3938 2031 3833 322e 3536 2c2d  442.98 1832.56,-\n-000118b0: 3435 362e 3039 2031 3838 382e 3532 2c2d  456.09 1888.52,-\n-000118c0: 3531 302e 3031 2032 3033 342e 3738 2c2d  510.01 2034.78,-\n-000118d0: 3634 312e 3432 2032 3037 352e 3536 2c2d  641.42 2075.56,-\n-000118e0: 3730 372e 3537 2032 3132 372e 3035 2c2d  707.57 2127.05,-\n-000118f0: 3739 312e 3039 2032 3134 322e 3032 2c2d  791.09 2142.02,-\n-00011900: 3832 362e 3639 2032 3132 332e 3536 2c2d  826.69 2123.56,-\n-00011910: 3932 332e 3035 2032 3131 322e 3138 2c2d  923.05 2112.18,-\n-00011920: 3938 322e 3435 2032 3130 332e 3638 2c2d  982.45 2103.68,-\n-00011930: 3939 372e 3535 2032 3037 312e 3536 2c2d  997.55 2071.56,-\n-00011940: 3130 3438 2e37 3920 3230 3635 2e31 312c  1048.79 2065.11,\n-00011950: 2d31 3035 392e 3038 2032 3035 362e 3533  -1059.08 2056.53\n-00011960: 2c2d 3130 3639 2e34 2032 3034 382e 382c  ,-1069.4 2048.8,\n-00011970: 2d31 3037 372e 3835 222f 3e0a 3c70 6f6c  -1077.85\"/>.<pol\n-00011980: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00011990: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-000119a0: 6663 6322 2070 6f69 6e74 733d 2232 3034  fcc\" points=\"204\n-000119b0: 362e 3037 2c2d 3130 3735 2e36 3520 3230  6.07,-1075.65 20\n-000119c0: 3431 2e37 352c 2d31 3038 352e 3332 2032  41.75,-1085.32 2\n-000119d0: 3035 312e 3136 2c2d 3130 3830 2e34 3520  051.16,-1080.45 \n-000119e0: 3230 3436 2e30 372c 2d31 3037 352e 3635  2046.07,-1075.65\n-000119f0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00011a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00011a10: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n-00011a20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00011a30: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-00011a40: 6964 3d22 6564 6765 3130 3322 2063 6c61  id=\"edge103\" cla\n-00011a50: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00011a60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00011a70: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00011a80: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00011a90: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n-00011aa0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00011ab0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00011ac0: 6266 6266 6266 2220 643d 224d 3137 3538  bfbfbf\" d=\"M1758\n-00011ad0: 2e33 342c 2d34 3136 2e39 3843 3137 3339  .34,-416.98C1739\n-00011ae0: 2e37 372c 2d34 3235 2e39 3320 3137 3131  .77,-425.93 1711\n-00011af0: 2e38 342c 2d34 3430 2e33 3720 3136 3839  .84,-440.37 1689\n-00011b00: 2e35 362c 2d34 3536 2e30 3920 3136 3734  .56,-456.09 1674\n-00011b10: 2e39 332c 2d34 3636 2e34 3120 3136 3734  .93,-466.41 1674\n-00011b20: 2e30 382c 2d34 3732 2e34 3920 3136 3539  .08,-472.49 1659\n-00011b30: 2e35 362c 2d34 3832 2e39 3620 3136 3333  .56,-482.96 1633\n-00011b40: 2e34 2c2d 3530 312e 3832 2031 3632 302e  .4,-501.82 1620.\n-00011b50: 3338 2c2d 3439 372e 3232 2031 3539 362e  38,-497.22 1596.\n-00011b60: 3536 2c2d 3531 382e 3936 2031 3537 312e  56,-518.96 1571.\n-00011b70: 3337 2c2d 3534 312e 3935 2031 3537 312e  37,-541.95 1571.\n-00011b80: 3737 2c2d 3535 332e 3635 2031 3535 322e  77,-553.65 1552.\n-00011b90: 3536 2c2d 3538 312e 3833 2031 3534 302e  56,-581.83 1540.\n-00011ba0: 3034 2c2d 3630 302e 3139 2031 3532 362e  04,-600.19 1526.\n-00011bb0: 3037 2c2d 3632 312e 3238 2031 3531 362e  07,-621.28 1516.\n-00011bc0: 3039 2c2d 3633 362e 3436 222f 3e0a 3c70  09,-636.46\"/>.<p\n-00011bd0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00011be0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-00011bf0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-00011c00: 3531 332c 2d36 3334 2e38 2031 3531 302e  513,-634.8 1510.\n-00011c10: 3434 2c2d 3634 352e 3038 2031 3531 382e  44,-645.08 1518.\n-00011c20: 3835 2c2d 3633 382e 3634 2031 3531 332c  85,-638.64 1513,\n-00011c30: 2d36 3334 2e38 222f 3e0a 3c2f 673e 0a3c  -634.8\"/>.</g>.<\n-00011c40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00011c50: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n-00011c60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00011c70: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d  gromacs_nbnxm --\n-00011c80: 3e0a 3c67 2069 643d 2265 6467 6531 3135  >.<g id=\"edge115\n-00011c90: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00011ca0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00011cb0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-00011cc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00011cd0: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-00011ce0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00011cf0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00011d00: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00011d10: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00011d20: 3222 2064 3d22 4d31 3738 382e 3333 2c2d  2\" d=\"M1788.33,-\n-00011d30: 3431 392e 3831 4331 3833 372e 3239 2c2d  419.81C1837.29,-\n-00011d40: 3438 302e 3734 2032 3035 342e 3033 2c2d  480.74 2054.03,-\n-00011d50: 3735 302e 3739 2032 3036 352e 3536 2c2d  750.79 2065.56,-\n-00011d60: 3737 302e 3434 2032 3039 362e 3137 2c2d  770.44 2096.17,-\n-00011d70: 3832 322e 3620 3231 3035 2e37 382c 2d38  822.6 2105.78,-8\n-00011d80: 3336 2e38 3620 3231 3137 2e35 362c 2d38  36.86 2117.56,-8\n-00011d90: 3936 2e31 3820 3231 3237 2e32 392c 2d39  96.18 2127.29,-9\n-00011da0: 3435 2e31 3820 3230 3832 2e32 342c 2d39  45.18 2082.24,-9\n-00011db0: 3931 2e39 3920 3230 3533 2c2d 3130 3136  91.99 2053,-1016\n-00011dc0: 2e35 3522 2f3e 0a3c 706f 6c79 676f 6e20  .55\"/>.<polygon \n-00011dd0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00011de0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00011df0: 706f 696e 7473 3d22 3230 3530 2e34 322c  points=\"2050.42,\n-00011e00: 2d31 3031 342e 3133 2032 3034 342e 3837  -1014.13 2044.87\n-00011e10: 2c2d 3130 3233 2e31 3520 3230 3534 2e38  ,-1023.15 2054.8\n-00011e20: 342c 2d31 3031 392e 3536 2032 3035 302e  4,-1019.56 2050.\n-00011e30: 3432 2c2d 3130 3134 2e31 3322 2f3e 0a3c  42,-1014.13\"/>.<\n-00011e40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00011e50: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00011e60: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00011e70: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00011e80: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00011e90: 3131 3322 2063 6c61 7373 3d22 6564 6765  113\" class=\"edge\n-00011ea0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00011eb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00011ec0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-00011ed0: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n-00011ee0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n-00011ef0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00011f00: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-00011f10: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00011f20: 2c32 2220 643d 224d 3138 3039 2e36 2c2d  ,2\" d=\"M1809.6,-\n-00011f30: 3430 352e 3138 4331 3930 342e 3437 2c2d  405.18C1904.47,-\n-00011f40: 3430 332e 3332 2032 3138 392e 3133 2c2d  403.32 2189.13,-\n-00011f50: 3339 342e 3639 2032 3237 322e 3536 2c2d  394.69 2272.56,-\n-00011f60: 3335 372e 3232 2032 3332 362e 3134 2c2d  357.22 2326.14,-\n-00011f70: 3333 332e 3136 2032 3332 342e 3039 2c2d  333.16 2324.09,-\n-00011f80: 3330 342e 3635 2032 3336 392e 3536 2c2d  304.65 2369.56,-\n-00011f90: 3236 372e 3438 2032 3339 302e 3736 2c2d  267.48 2390.76,-\n-00011fa0: 3235 302e 3135 2032 3430 372e 3038 2c2d  250.15 2407.08,-\n-00011fb0: 3235 352e 3835 2032 3431 392e 3536 2c2d  255.85 2419.56,-\n-00011fc0: 3233 312e 3438 2032 3432 382e 3639 2c2d  231.48 2428.69,-\n-00011fd0: 3231 332e 3635 2032 3431 392e 3338 2c2d  213.65 2419.38,-\n-00011fe0: 3139 312e 3737 2032 3430 392e 3633 2c2d  191.77 2409.63,-\n-00011ff0: 3137 362e 3222 2f3e 0a3c 706f 6c79 676f  176.2\"/>.<polygo\n-00012000: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00012010: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00012020: 2220 706f 696e 7473 3d22 3234 3132 2e34  \" points=\"2412.4\n-00012030: 382c 2d31 3734 2e31 3620 3234 3033 2e39  8,-174.16 2403.9\n-00012040: 382c 2d31 3637 2e38 3420 3234 3036 2e36  8,-167.84 2406.6\n-00012050: 382c 2d31 3738 2e30 3820 3234 3132 2e34  8,-178.08 2412.4\n-00012060: 382c 2d31 3734 2e31 3622 2f3e 0a3c 2f67  8,-174.16\"/>.</g\n-00012070: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00012080: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-00012090: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000120a0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-000120b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000120c0: 3130 3722 2063 6c61 7373 3d22 6564 6765  107\" class=\"edge\n-000120d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-000120e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-000120f0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-00012100: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00012110: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-00012120: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00012130: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n-00012140: 3738 312e 3238 2c2d 3339 322e 3939 4331  781.28,-392.99C1\n-00012150: 3738 362e 3036 2c2d 3336 382e 3039 2031  786.06,-368.09 1\n-00012160: 3739 342e 3033 2c2d 3331 312e 3337 2031  794.03,-311.37 1\n-00012170: 3737 382e 3536 2c2d 3236 372e 3438 2031  778.56,-267.48 1\n-00012180: 3737 342e 3634 2c2d 3235 362e 3337 2031  774.64,-256.37 1\n-00012190: 3736 362e 3938 2c2d 3234 352e 3933 2031  766.98,-245.93 1\n-000121a0: 3735 392e 3437 2c2d 3233 372e 3631 222f  759.47,-237.61\"/\n-000121b0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-000121c0: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n-000121d0: 6422 2070 6f69 6e74 733d 2231 3736 312e  d\" points=\"1761.\n-000121e0: 3931 2c2d 3233 352e 3120 3137 3532 2e34  91,-235.1 1752.4\n-000121f0: 352c 2d32 3330 2e33 3320 3137 3536 2e38  5,-230.33 1756.8\n-00012200: 372c 2d32 3339 2e39 3620 3137 3631 2e39  7,-239.96 1761.9\n-00012210: 312c 2d32 3335 2e31 222f 3e0a 3c2f 673e  1,-235.1\"/>.</g>\n-00012220: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00012230: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00012240: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00012250: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n-00012260: 7369 676e 6d65 6e74 202d 2d3e 0a3c 6720  signment -->.<g \n-00012270: 6964 3d22 6564 6765 3131 3222 2063 6c61  id=\"edge112\" cla\n-00012280: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00012290: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000122a0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-000122b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000122c0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-000122d0: 6d65 6e74 3c2f 7469 746c 653e 0a3c 7061  ment</title>.<pa\n-000122e0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000122f0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-00012300: 3138 3035 2e38 382c 2d34 3030 2e30 3443  1805.88,-400.04C\n-00012310: 3138 3534 2e39 352c 2d33 3839 2e39 3520  1854.95,-389.95 \n-00012320: 3139 3538 2e38 312c 2d33 3638 2e35 3920  1958.81,-368.59 \n-00012330: 3230 3232 2e30 362c 2d33 3535 2e35 3822  2022.06,-355.58\"\n-00012340: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00012350: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00012360: 6564 2220 706f 696e 7473 3d22 3230 3233  ed\" points=\"2023\n-00012370: 2e31 342c 2d33 3538 2e39 3320 3230 3332  .14,-358.93 2032\n-00012380: 2e32 332c 2d33 3533 2e34 3920 3230 3231  .23,-353.49 2021\n-00012390: 2e37 332c 2d33 3532 2e30 3820 3230 3233  .73,-352.08 2023\n-000123a0: 2e31 342c 2d33 3538 2e39 3322 2f3e 0a3c  .14,-358.93\"/>.<\n-000123b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000123c0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-000123d0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-000123e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-000123f0: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265  dec -->.<g id=\"e\n-00012400: 6467 6531 3030 2220 636c 6173 733d 2265  dge100\" class=\"e\n-00012410: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00012420: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00012430: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n-00012440: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00012450: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n-00012460: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00012470: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00012480: 6322 2064 3d22 4d31 3830 352e 3336 2c2d  c\" d=\"M1805.36,-\n-00012490: 3431 332e 3439 4331 3834 372e 3833 2c2d  413.49C1847.83,-\n-000124a0: 3432 332e 3637 2031 3933 302e 3234 2c2d  423.67 1930.24,-\n-000124b0: 3434 342e 3833 2031 3937 382e 3035 2c2d  444.83 1978.05,-\n-000124c0: 3435 372e 3734 222f 3e0a 3c70 6f6c 7967  457.74\"/>.<polyg\n-000124d0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-000124e0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-000124f0: 6322 2070 6f69 6e74 733d 2231 3937 372e  c\" points=\"1977.\n-00012500: 3431 2c2d 3436 312e 3220 3139 3837 2e39  41,-461.2 1987.9\n-00012510: 382c 2d34 3630 2e34 3420 3139 3739 2e32  8,-460.44 1979.2\n-00012520: 352c 2d34 3534 2e34 3420 3139 3737 2e34  5,-454.44 1977.4\n-00012530: 312c 2d34 3631 2e32 222f 3e0a 3c2f 673e  1,-461.2\"/>.</g>\n-00012540: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00012550: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00012560: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00012570: 635f 6772 6f6d 6163 735f 7377 6170 202d  c_gromacs_swap -\n-00012580: 2d3e 0a3c 6720 6964 3d22 6564 6765 3131  ->.<g id=\"edge11\n-00012590: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-000125a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000125b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-000125c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000125d0: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n-000125e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000125f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00012600: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00012610: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00012620: 3222 2064 3d22 4d31 3830 312e 3335 2c2d  2\" d=\"M1801.35,-\n-00012630: 3339 372e 3435 4331 3833 312e 3037 2c2d  397.45C1831.07,-\n-00012640: 3338 362e 3734 2031 3838 332e 3139 2c2d  386.74 1883.19,-\n-00012650: 3336 372e 3937 2031 3931 362e 352c 2d33  367.97 1916.5,-3\n-00012660: 3535 2e39 3722 2f3e 0a3c 706f 6c79 676f  55.97\"/>.<polygo\n-00012670: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00012680: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00012690: 2220 706f 696e 7473 3d22 3139 3137 2e39  \" points=\"1917.9\n-000126a0: 372c 2d33 3539 2e31 3620 3139 3236 2e31  7,-359.16 1926.1\n-000126b0: 392c 2d33 3532 2e34 3820 3139 3135 2e36  9,-352.48 1915.6\n-000126c0: 2c2d 3335 322e 3538 2031 3931 372e 3937  ,-352.58 1917.97\n-000126d0: 2c2d 3335 392e 3136 222f 3e0a 3c2f 673e  ,-359.16\"/>.</g>\n-000126e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-000126f0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00012700: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00012710: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e  c_gromacs_option\n-00012720: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-00012730: 6531 3230 2220 636c 6173 733d 2265 6467  e120\" class=\"edg\n-00012740: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00012750: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00012760: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-00012770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-00012780: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c  ptions</title>.<\n-00012790: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000127a0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000127b0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000127c0: 6179 3d22 352c 3222 2064 3d22 4d31 3734  ay=\"5,2\" d=\"M174\n-000127d0: 382e 3439 2c2d 3430 322e 3931 4331 3635  8.49,-402.91C165\n-000127e0: 352e 3437 2c2d 3339 332e 3538 2031 3337  5.47,-393.58 137\n-000127f0: 382e 3536 2c2d 3335 392e 3333 2031 3337  8.56,-359.33 137\n-00012800: 382e 3536 2c2d 3238 312e 3932 2031 3337  8.56,-281.92 137\n-00012810: 382e 3536 2c2d 3238 312e 3932 2031 3337  8.56,-281.92 137\n-00012820: 382e 3536 2c2d 3238 312e 3932 2031 3337  8.56,-281.92 137\n-00012830: 382e 3536 2c2d 3135 342e 3138 2031 3337  8.56,-154.18 137\n-00012840: 382e 3536 2c2d 3132 302e 3035 2031 3338  8.56,-120.05 138\n-00012850: 312e 3334 2c2d 3130 3820 3133 3633 2e35  1.34,-108 1363.5\n-00012860: 362c 2d37 382e 3837 2031 3335 352e 3339  6,-78.87 1355.39\n-00012870: 2c2d 3635 2e35 2031 3334 322e 3132 2c2d  ,-65.5 1342.12,-\n-00012880: 3534 2e33 3120 3133 3330 2e30 342c 2d34  54.31 1330.04,-4\n-00012890: 362e 3036 222f 3e0a 3c70 6f6c 7967 6f6e  6.06\"/>.<polygon\n-000128a0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-000128b0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-000128c0: 2070 6f69 6e74 733d 2231 3333 312e 3835   points=\"1331.85\n-000128d0: 2c2d 3433 2e30 3620 3133 3231 2e35 342c  ,-43.06 1321.54,\n-000128e0: 2d34 302e 3539 2031 3332 382e 3036 2c2d  -40.59 1328.06,-\n-000128f0: 3438 2e39 3520 3133 3331 2e38 352c 2d34  48.95 1331.85,-4\n-00012900: 332e 3036 222f 3e0a 3c2f 673e 0a3c 212d  3.06\"/>.</g>.<!-\n-00012910: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00012920: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00012930: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00012940: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-00012950: 756c 6174 6f72 202d 2d3e 0a3c 6720 6964  ulator -->.<g id\n-00012960: 3d22 6564 6765 3131 3422 2063 6c61 7373  =\"edge114\" class\n-00012970: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00012980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00012990: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-000129a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000129b0: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-000129c0: 6174 6f72 3c2f 7469 746c 653e 0a3c 7061  ator</title>.<pa\n-000129d0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000129e0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-000129f0: 3137 3738 2e39 342c 2d34 3230 2e31 3343  1778.94,-420.13C\n-00012a00: 3137 3734 2e37 392c 2d34 3531 2e32 3820  1774.79,-451.28 \n-00012a10: 3137 3534 2e31 352c 2d35 3332 2e37 3720  1754.15,-532.77 \n-00012a20: 3137 3430 2e37 372c 2d35 3732 2e32 3322  1740.77,-572.23\"\n-00012a30: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00012a40: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00012a50: 6564 2220 706f 696e 7473 3d22 3137 3337  ed\" points=\"1737\n-00012a60: 2e34 352c 2d35 3731 2e31 3420 3137 3337  .45,-571.14 1737\n-00012a70: 2e33 382c 2d35 3831 2e37 3320 3137 3434  .38,-581.73 1744\n-00012a80: 2e30 342c 2d35 3733 2e34 3920 3137 3337  .04,-573.49 1737\n-00012a90: 2e34 352c 2d35 3731 2e31 3422 2f3e 0a3c  .45,-571.14\"/>.<\n-00012aa0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00012ab0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00012ac0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00012ad0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n-00012ae0: 656e 7469 616c 6479 6e61 6d69 6373 202d  entialdynamics -\n-00012af0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130  ->.<g id=\"edge10\n-00012b00: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00012b10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00012b20: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00012b30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00012b40: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n-00012b50: 6e74 6961 6c64 796e 616d 6963 733c 2f74  ntialdynamics</t\n-00012b60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00012b70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00012b80: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00012b90: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00012ba0: 643d 224d 3138 3039 2e36 312c 2d34 3035  d=\"M1809.61,-405\n-00012bb0: 2e31 4331 3930 372e 3334 2c2d 3430 322e  .1C1907.34,-402.\n-00012bc0: 3938 2032 3230 372e 3338 2c2d 3339 332e  98 2207.38,-393.\n-00012bd0: 3539 2032 3239 362e 3536 2c2d 3335 372e  59 2296.56,-357.\n-00012be0: 3232 2032 3339 382e 3038 2c2d 3331 352e  22 2398.08,-315.\n-00012bf0: 3832 2032 3439 302e 3738 2c2d 3231 382e  82 2490.78,-218.\n-00012c00: 3336 2032 3532 372e 3638 2c2d 3137 362e  36 2527.68,-176.\n-00012c10: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n-00012c20: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00012c30: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00012c40: 696e 7473 3d22 3235 3330 2e34 312c 2d31  ints=\"2530.41,-1\n-00012c50: 3738 2e33 3920 3235 3334 2e33 2c2d 3136  78.39 2534.3,-16\n-00012c60: 382e 3533 2032 3532 352e 3132 2c2d 3137  8.53 2525.12,-17\n-00012c70: 332e 3831 2032 3533 302e 3431 2c2d 3137  3.81 2530.41,-17\n-00012c80: 382e 3339 222f 3e0a 3c2f 673e 0a3c 212d  8.39\"/>.</g>.<!-\n-00012c90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00012ca0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00012cb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00012cc0: 6f6d 6163 735f 636f 6d70 6174 202d 2d3e  omacs_compat -->\n-00012cd0: 0a3c 6720 6964 3d22 6564 6765 3939 2220  .<g id=\"edge99\" \n-00012ce0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00012cf0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00012d00: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00012d10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00012d20: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c  _gromacs_compat<\n-00012d30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00012d40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00012d50: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00012d60: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00012d70: 2220 643d 224d 3138 3039 2e36 312c 2d34  \" d=\"M1809.61,-4\n-00012d80: 3034 2e38 3643 3139 3131 2e32 312c 2d34  04.86C1911.21,-4\n-00012d90: 3031 2e39 3520 3232 3238 2e39 322c 2d33  01.95 2228.92,-3\n-00012da0: 3930 2e32 3620 3232 3539 2e35 362c 2d33  90.26 2259.56,-3\n-00012db0: 3537 2e32 3220 3233 3035 2e32 2c2d 3330  57.22 2305.2,-30\n-00012dc0: 3820 3232 3835 2e31 312c 2d32 3139 2e33  8 2285.11,-219.3\n-00012dd0: 3120 3232 3732 2e32 372c 2d31 3738 2e32  1 2272.27,-178.2\n-00012de0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00012df0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00012e00: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00012e10: 6e74 733d 2232 3237 352e 3537 2c2d 3137  nts=\"2275.57,-17\n-00012e20: 372e 3032 2032 3236 392e 3133 2c2d 3136  7.02 2269.13,-16\n-00012e30: 382e 3631 2032 3236 382e 3932 2c2d 3137  8.61 2268.92,-17\n-00012e40: 392e 3220 3232 3735 2e35 372c 2d31 3737  9.2 2275.57,-177\n-00012e50: 2e30 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .02\"/>.</g>.<!--\n-00012e60: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00012e70: 6163 735f 6d69 6d69 6320 2d2d 3e0a 3c67  acs_mimic -->.<g\n-00012e80: 2069 643d 226e 6f64 6533 3222 2063 6c61   id=\"node32\" cla\n-00012e90: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n-00012ea0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00012eb0: 6d61 6373 5f6d 696d 6963 3c2f 7469 746c  macs_mimic</titl\n-00012ec0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n-00012ed0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-00012ee0: 653d 2262 6c61 636b 2220 6378 3d22 3137  e=\"black\" cx=\"17\n-00012ef0: 3339 2e35 3622 2063 793d 222d 3238 302e  39.56\" cy=\"-280.\n-00012f00: 3932 2220 7278 3d22 3330 2e33 3122 2072  92\" rx=\"30.31\" r\n-00012f10: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00012f20: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00012f30: 6964 646c 6522 2078 3d22 3137 3339 2e35  iddle\" x=\"1739.5\n-00012f40: 3622 2079 3d22 2d32 3738 2e34 3222 2066  6\" y=\"-278.42\" f\n-00012f50: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n-00012f60: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n-00012f70: 2231 302e 3030 223e 6d69 6d69 633c 2f74  \"10.00\">mimic</t\n-00012f80: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n-00012f90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00012fa0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-00012fb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00012fc0: 6373 5f6d 696d 6963 202d 2d3e 0a3c 6720  cs_mimic -->.<g \n-00012fd0: 6964 3d22 6564 6765 3130 3922 2063 6c61  id=\"edge109\" cla\n-00012fe0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00012ff0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00013000: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00013010: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00013020: 6f6d 6163 735f 6d69 6d69 633c 2f74 6974  omacs_mimic</tit\n-00013030: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00013040: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-00013050: 6662 6662 6622 2064 3d22 4d31 3737 342e  fbfbf\" d=\"M1774.\n-00013060: 3533 2c2d 3339 322e 3838 4331 3736 372e  53,-392.88C1767.\n-00013070: 3933 2c2d 3337 312e 3933 2031 3735 342e  93,-371.93 1754.\n-00013080: 3732 2c2d 3333 302e 3032 2031 3734 362e  72,-330.02 1746.\n-00013090: 3536 2c2d 3330 342e 3133 222f 3e0a 3c70  56,-304.13\"/>.<p\n-000130a0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-000130b0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000130c0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-000130d0: 3734 392e 3835 2c2d 3330 322e 3932 2031  749.85,-302.92 1\n-000130e0: 3734 332e 3531 2c2d 3239 342e 3434 2031  743.51,-294.44 1\n-000130f0: 3734 332e 3137 2c2d 3330 352e 3033 2031  743.17,-305.03 1\n-00013100: 3734 392e 3835 2c2d 3330 322e 3932 222f  749.85,-302.92\"/\n-00013110: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00013120: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-00013130: 7070 6c69 6564 5f66 6f72 6365 7320 2d2d  pplied_forces --\n-00013140: 3e0a 3c67 2069 643d 226e 6f64 6533 3322  >.<g id=\"node33\"\n-00013150: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-00013160: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00013170: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-00013180: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n-00013190: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-000131a0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-000131b0: 626c 6163 6b22 2063 783d 2231 3036 322e  black\" cx=\"1062.\n-000131c0: 3536 2220 6379 3d22 2d33 3433 2e37 3922  56\" cy=\"-343.79\"\n-000131d0: 2072 783d 2235 362e 3634 2220 7279 3d22   rx=\"56.64\" ry=\"\n-000131e0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n-000131f0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n-00013200: 6c65 2220 783d 2231 3036 322e 3536 2220  le\" x=\"1062.56\" \n-00013210: 793d 222d 3334 312e 3239 2220 666f 6e74  y=\"-341.29\" font\n-00013220: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-00013230: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-00013240: 2e30 3022 3e61 7070 6c69 6564 5f66 6f72  .00\">applied_for\n-00013250: 6365 733c 2f74 6578 743e 0a3c 2f67 3e0a  ces</text>.</g>.\n-00013260: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00013270: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00013280: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00013290: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-000132a0: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069  _forces -->.<g i\n-000132b0: 643d 2265 6467 6531 3139 2220 636c 6173  d=\"edge119\" clas\n-000132c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000132d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000132e0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-000132f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00013300: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00013310: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174  ces</title>.<pat\n-00013320: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00013330: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n-00013340: 3734 372e 3537 2c2d 3430 342e 3431 4331  747.57,-404.41C1\n-00013350: 3635 342e 3339 2c2d 3430 302e 3434 2031  654.39,-400.44 1\n-00013360: 3336 382e 3638 2c2d 3338 362e 3537 2031  368.68,-386.57 1\n-00013370: 3133 332e 3536 2c2d 3335 372e 3232 2031  133.56,-357.22 1\n-00013380: 3132 372e 3337 2c2d 3335 362e 3435 2031  127.37,-356.45 1\n-00013390: 3132 302e 3839 2c2d 3335 352e 3520 3131  120.89,-355.5 11\n-000133a0: 3134 2e34 382c 2d33 3534 2e34 3822 2f3e  14.48,-354.48\"/>\n-000133b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000133c0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-000133d0: 2220 706f 696e 7473 3d22 3131 3134 2e39  \" points=\"1114.9\n-000133e0: 342c 2d33 3531 2e30 3120 3131 3034 2e35  4,-351.01 1104.5\n-000133f0: 312c 2d33 3532 2e38 3420 3131 3133 2e38  1,-352.84 1113.8\n-00013400: 2c2d 3335 372e 3932 2031 3131 342e 3934  ,-357.92 1114.94\n-00013410: 2c2d 3335 312e 3031 222f 3e0a 3c2f 673e  ,-351.01\"/>.</g>\n-00013420: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00013430: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00013440: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00013450: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n-00013460: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00013470: 3032 2220 636c 6173 733d 2265 6467 6522  02\" class=\"edge\"\n-00013480: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00013490: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-000134a0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-000134b0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n-000134c0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468  ld</title>.<path\n-000134d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000134e0: 6f6b 653d 2272 6564 2220 643d 224d 3137  oke=\"red\" d=\"M17\n-000134f0: 3438 2e35 352c 2d34 3032 2e39 4331 3637  48.55,-402.9C167\n-00013500: 362e 3733 2c2d 3339 362e 3139 2031 3438  6.73,-396.19 148\n-00013510: 392e 3335 2c2d 3337 382e 3034 2031 3333  9.35,-378.04 133\n-00013520: 332e 3536 2c2d 3335 372e 3232 2031 3136  3.56,-357.22 116\n-00013530: 392e 3431 2c2d 3333 352e 3239 2039 3734  9.41,-335.29 974\n-00013540: 2e34 382c 2d33 3032 2e31 3420 3839 352e  .48,-302.14 895.\n-00013550: 3031 2c2d 3238 382e 3332 222f 3e0a 3c70  01,-288.32\"/>.<p\n-00013560: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n-00013570: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n-00013580: 6f69 6e74 733d 2238 3935 2e34 372c 2d32  oints=\"895.47,-2\n-00013590: 3834 2e38 3420 3838 352e 3032 2c2d 3238  84.84 885.02,-28\n-000135a0: 362e 3537 2038 3934 2e32 372c 2d32 3931  6.57 894.27,-291\n-000135b0: 2e37 3420 3839 352e 3437 2c2d 3238 342e  .74 895.47,-284.\n-000135c0: 3834 222f 3e0a 3c2f 673e 0a3c 212d 2d20  84\"/>.</g>.<!-- \n-000135d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000135e0: 6373 5f70 756c 6c69 6e67 202d 2d3e 0a3c  cs_pulling -->.<\n-000135f0: 6720 6964 3d22 6e6f 6465 3335 2220 636c  g id=\"node35\" cl\n-00013600: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-00013610: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00013620: 6f6d 6163 735f 7075 6c6c 696e 673c 2f74  omacs_pulling</t\n-00013630: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n-00013640: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00013650: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00013660: 2231 3633 362e 3536 2220 6379 3d22 2d35  \"1636.56\" cy=\"-5\n-00013670: 3332 2e34 2220 7278 3d22 3331 2e32 3322  32.4\" rx=\"31.23\"\n-00013680: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00013690: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-000136a0: 226d 6964 646c 6522 2078 3d22 3136 3336  \"middle\" x=\"1636\n-000136b0: 2e35 3622 2079 3d22 2d35 3239 2e39 2220  .56\" y=\"-529.9\" \n-000136c0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-000136d0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-000136e0: 3d22 3130 2e30 3022 3e70 756c 6c69 6e67  =\"10.00\">pulling\n-000136f0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n-00013700: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00013710: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00013720: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00013730: 6f6d 6163 735f 7075 6c6c 696e 6720 2d2d  omacs_pulling --\n-00013740: 3e0a 3c67 2069 643d 2265 6467 6531 3130  >.<g id=\"edge110\n-00013750: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00013760: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00013770: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-00013780: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00013790: 7263 5f67 726f 6d61 6373 5f70 756c 6c69  rc_gromacs_pulli\n-000137a0: 6e67 3c2f 7469 746c 653e 0a3c 7061 7468  ng</title>.<path\n-000137b0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000137c0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-000137d0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-000137e0: 352c 3222 2064 3d22 4d31 3736 352e 3439  5,2\" d=\"M1765.49\n-000137f0: 2c2d 3431 392e 3035 4331 3734 302e 3739  ,-419.05C1740.79\n-00013800: 2c2d 3434 302e 3537 2031 3638 372e 3037  ,-440.57 1687.07\n-00013810: 2c2d 3438 372e 3338 2031 3635 372e 3336  ,-487.38 1657.36\n-00013820: 2c2d 3531 332e 3237 222f 3e0a 3c70 6f6c  ,-513.27\"/>.<pol\n-00013830: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00013840: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00013850: 6663 6322 2070 6f69 6e74 733d 2231 3635  fcc\" points=\"165\n-00013860: 342e 392c 2d35 3130 2e37 3720 3136 3439  4.9,-510.77 1649\n-00013870: 2e36 362c 2d35 3139 2e39 3820 3136 3539  .66,-519.98 1659\n-00013880: 2e35 2c2d 3531 362e 3035 2031 3635 342e  .5,-516.05 1654.\n-00013890: 392c 2d35 3130 2e37 3722 2f3e 0a3c 2f67  9,-510.77\"/>.</g\n-000138a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000138b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-000138c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000138d0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-000138e0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n-000138f0: 6531 3034 2220 636c 6173 733d 2265 6467  e104\" class=\"edg\n-00013900: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00013910: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00013920: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-00013930: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00013940: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n-00013950: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00013960: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00013970: 2064 3d22 4d31 3735 362e 3735 2c2d 3431   d=\"M1756.75,-41\n-00013980: 362e 3343 3137 3430 2e34 372c 2d34 3234  6.3C1740.47,-424\n-00013990: 2e30 3420 3137 3139 2e34 322c 2d34 3337  .04 1719.42,-437\n-000139a0: 2e31 3320 3137 3039 2e35 362c 2d34 3536  .13 1709.56,-456\n-000139b0: 2e30 3920 3137 3034 2e30 352c 2d34 3636  .09 1704.05,-466\n-000139c0: 2e36 3920 3137 3035 2e31 2c2d 3437 312e  .69 1705.1,-471.\n-000139d0: 3838 2031 3730 392e 3536 2c2d 3438 322e  88 1709.56,-482.\n-000139e0: 3936 2031 3732 302e 3934 2c2d 3531 312e  96 1720.94,-511.\n-000139f0: 3233 2031 3739 332e 3138 2c2d 3535 332e  23 1793.18,-553.\n-00013a00: 3537 2031 3830 342e 3536 2c2d 3538 312e  57 1804.56,-581.\n-00013a10: 3833 2031 3833 302e 3531 2c2d 3634 362e  83 1830.51,-646.\n-00013a20: 3239 2031 3831 332e 3431 2c2d 3637 392e  29 1813.41,-679.\n-00013a30: 3734 2031 3737 302e 3536 2c2d 3733 342e  74 1770.56,-734.\n-00013a40: 3434 2031 3735 302e 3139 2c2d 3736 302e  44 1750.19,-760.\n-00013a50: 3434 2031 3733 332e 3633 2c2d 3735 332e  44 1733.63,-753.\n-00013a60: 3035 2031 3730 352e 3536 2c2d 3737 302e  05 1705.56,-770.\n-00013a70: 3434 2031 3638 372e 3637 2c2d 3738 312e  44 1687.67,-781.\n-00013a80: 3532 2031 3638 352e 3237 2c2d 3738 372e  52 1685.27,-787.\n-00013a90: 3636 2031 3636 362e 3536 2c2d 3739 372e  66 1666.56,-797.\n-00013aa0: 3331 2031 3635 372e 342c 2d38 3032 2e30  31 1657.4,-802.0\n-00013ab0: 3320 3136 3033 2e31 352c 2d38 3231 2e33  3 1603.15,-821.3\n-00013ac0: 3620 3135 3636 2e38 332c 2d38 3334 2e31  6 1566.83,-834.1\n-00013ad0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n-00013ae0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-00013af0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-00013b00: 696e 7473 3d22 3135 3635 2e33 392c 2d38  ints=\"1565.39,-8\n-00013b10: 3330 2e39 3220 3135 3537 2e31 312c 2d38  30.92 1557.11,-8\n-00013b20: 3337 2e35 3420 3135 3637 2e37 2c2d 3833  37.54 1567.7,-83\n-00013b30: 372e 3533 2031 3536 352e 3339 2c2d 3833  7.53 1565.39,-83\n-00013b40: 302e 3932 222f 3e0a 3c2f 673e 0a3c 212d  0.92\"/>.</g>.<!-\n-00013b50: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00013b60: 6d61 6373 5f72 6573 7472 6169 6e74 202d  macs_restraint -\n-00013b70: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3339  ->.<g id=\"node39\n-00013b80: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-00013b90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00013ba0: 635f 6772 6f6d 6163 735f 7265 7374 7261  c_gromacs_restra\n-00013bb0: 696e 743c 2f74 6974 6c65 3e0a 3c67 2069  int</title>.<g i\n-00013bc0: 643d 2261 5f6e 6f64 6533 3922 3e3c 6120  d=\"a_node39\"><a \n-00013bd0: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n-00013be0: 705f 5f6d 6f64 756c 655f 5f72 6573 7472  p__module__restr\n-00013bf0: 6169 6e74 2e78 6874 6d6c 2220 7461 7267  aint.xhtml\" targ\n-00013c00: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-00013c10: 7469 746c 653d 2272 6573 7472 6169 6e74  title=\"restraint\n-00013c20: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n-00013c30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00013c40: 626c 6163 6b22 2063 783d 2231 3535 342e  black\" cx=\"1554.\n-00013c50: 3536 2220 6379 3d22 2d33 3433 2e37 3922  56\" cy=\"-343.79\"\n-00013c60: 2072 783d 2233 362e 3534 2220 7279 3d22   rx=\"36.54\" ry=\"\n-00013c70: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n-00013c80: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n-00013c90: 6c65 2220 783d 2231 3535 342e 3536 2220  le\" x=\"1554.56\" \n-00013ca0: 793d 222d 3334 312e 3239 2220 666f 6e74  y=\"-341.29\" font\n-00013cb0: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-00013cc0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-00013cd0: 2e30 3022 3e72 6573 7472 6169 6e74 3c2f  .00\">restraint</\n-00013ce0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a  text>.</a>.</g>.\n-00013cf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00013d00: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00013d10: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-00013d20: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n-00013d30: 7374 7261 696e 7420 2d2d 3e0a 3c67 2069  straint -->.<g i\n-00013d40: 643d 2265 6467 6531 3138 2220 636c 6173  d=\"edge118\" clas\n-00013d50: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00013d60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00013d70: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-00013d80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00013d90: 6d61 6373 5f72 6573 7472 6169 6e74 3c2f  macs_restraint</\n-00013da0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00013db0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00013dc0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00013dd0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00013de0: 2064 3d22 4d31 3735 332e 332c 2d33 3938   d=\"M1753.3,-398\n-00013df0: 2e37 3943 3137 3134 2e31 352c 2d33 3838  .79C1714.15,-388\n-00013e00: 2e31 3520 3136 3338 2e35 392c 2d33 3637  .15 1638.59,-367\n-00013e10: 2e36 3220 3135 3932 2e37 352c 2d33 3535  .62 1592.75,-355\n-00013e20: 2e31 3622 2f3e 0a3c 706f 6c79 676f 6e20  .16\"/>.<polygon \n-00013e30: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00013e40: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00013e50: 706f 696e 7473 3d22 3135 3933 2e34 352c  points=\"1593.45,\n-00013e60: 2d33 3531 2e37 3320 3135 3832 2e38 392c  -351.73 1582.89,\n-00013e70: 2d33 3532 2e34 3820 3135 3931 2e36 322c  -352.48 1591.62,\n-00013e80: 2d33 3538 2e34 3820 3135 3933 2e34 352c  -358.48 1593.45,\n-00013e90: 2d33 3531 2e37 3322 2f3e 0a3c 2f67 3e0a  -351.73\"/>.</g>.\n-00013ea0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00013eb0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00013ec0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00013ed0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n-00013ee0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00013ef0: 3137 2220 636c 6173 733d 2265 6467 6522  17\" class=\"edge\"\n-00013f00: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00013f10: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00013f20: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00013f30: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-00013f40: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174  dom</title>.<pat\n-00013f50: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00013f60: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-00013f70: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00013f80: 2c32 2220 643d 224d 3137 3437 2e33 362c  ,2\" d=\"M1747.36,\n-00013f90: 2d34 3036 2e32 3943 3136 3738 2e31 2c2d  -406.29C1678.1,-\n-00013fa0: 3430 362e 3738 2031 3530 372e 3038 2c2d  406.78 1507.08,-\n-00013fb0: 3430 322e 3832 2031 3337 332e 3536 2c2d  402.82 1373.56,-\n-00013fc0: 3335 372e 3232 2031 3330 302e 3034 2c2d  357.22 1300.04,-\n-00013fd0: 3333 322e 3131 2031 3239 342e 3332 2c2d  332.11 1294.32,-\n-00013fe0: 3239 392e 3535 2031 3232 332e 3536 2c2d  299.55 1223.56,-\n-00013ff0: 3236 372e 3438 2031 3134 302e 3632 2c2d  267.48 1140.62,-\n-00014000: 3232 392e 3839 2031 3131 362e 3433 2c2d  229.89 1116.43,-\n-00014010: 3232 382e 3438 2031 3032 382e 3536 2c2d  228.48 1028.56,-\n-00014020: 3230 342e 3631 2039 3637 2e30 382c 2d31  204.61 967.08,-1\n-00014030: 3837 2e39 3120 3839 342e 372c 2d31 3732  87.91 894.7,-172\n-00014040: 2e36 3920 3835 302e 3735 2c2d 3136 332e  .69 850.75,-163.\n-00014050: 3933 222f 3e0a 3c70 6f6c 7967 6f6e 2066  93\"/>.<polygon f\n-00014060: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-00014070: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-00014080: 733d 2238 3531 2e32 342c 2d31 3630 2e34  s=\"851.24,-160.4\n-00014090: 3620 3834 302e 3735 2c2d 3136 312e 3936  6 840.75,-161.96\n-000140a0: 2038 3439 2e38 382c 2d31 3637 2e33 3320   849.88,-167.33 \n-000140b0: 3835 312e 3234 2c2d 3136 302e 3436 222f  851.24,-160.46\"/\n-000140c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000140d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000140e0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-000140f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00014100: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d  listed_forces --\n-00014110: 3e0a 3c67 2069 643d 2265 6467 6531 3036  >.<g id=\"edge106\n-00014120: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00014130: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00014140: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-00014150: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00014160: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n-00014170: 645f 666f 7263 6573 3c2f 7469 746c 653e  d_forces</title>\n-00014180: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00014190: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-000141a0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-000141b0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-000141c0: 3738 312e 3135 2c2d 3432 302e 3339 4331  781.15,-420.39C1\n-000141d0: 3738 362e 3736 2c2d 3434 352e 3920 3138  786.76,-445.9 18\n-000141e0: 3031 2e38 352c 2d35 3034 2e33 3820 3138  01.85,-504.38 18\n-000141f0: 3239 2e35 362c 2d35 3435 2e38 3320 3138  29.56,-545.83 18\n-00014200: 3437 2e35 352c 2d35 3732 2e37 3520 3139  47.55,-572.75 19\n-00014210: 3134 2e37 372c 2d36 3230 2e37 3620 3139  14.77,-620.76 19\n-00014220: 3336 2e35 362c 2d36 3434 2e37 2032 3032  36.56,-644.7 202\n-00014230: 382e 3035 2c2d 3734 352e 3231 2032 3037  8.05,-745.21 207\n-00014240: 312e 3131 2c2d 3736 362e 3132 2032 3131  1.11,-766.12 211\n-00014250: 302e 3536 2c2d 3839 362e 3138 2032 3131  0.56,-896.18 211\n-00014260: 342e 3033 2c2d 3930 372e 3631 2032 3131  4.03,-907.61 211\n-00014270: 372e 3933 2c2d 3931 332e 3636 2032 3131  7.93,-913.66 211\n-00014280: 302e 3536 2c2d 3932 332e 3035 2032 3130  0.56,-923.05 210\n-00014290: 382e 3138 2c2d 3932 362e 3039 2032 3031  8.18,-926.09 201\n-000142a0: 372e 3032 2c2d 3934 372e 3439 2031 3935  7.02,-947.49 195\n-000142b0: 392e 3234 2c2d 3936 302e 3831 222f 3e0a  9.24,-960.81\"/>.\n-000142c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-000142d0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-000142e0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-000142f0: 2231 3935 382e 3138 2c2d 3935 372e 3436  \"1958.18,-957.46\n-00014300: 2031 3934 392e 3232 2c2d 3936 332e 3132   1949.22,-963.12\n-00014310: 2031 3935 392e 3735 2c2d 3936 342e 3239   1959.75,-964.29\n-00014320: 2031 3935 382e 3138 2c2d 3935 372e 3436   1958.18,-957.46\n-00014330: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00014340: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00014350: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n-00014360: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00014370: 735f 6d64 7275 6e75 7469 6c69 7479 202d  s_mdrunutility -\n-00014380: 2d3e 0a3c 6720 6964 3d22 6564 6765 3936  ->.<g id=\"edge96\n-00014390: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000143a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000143b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-000143c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000143d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-000143e0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a  utility</title>.\n-000143f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00014400: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00014410: 6322 2064 3d22 4d31 3738 332e 3833 2c2d  c\" d=\"M1783.83,-\n-00014420: 3432 302e 3031 4331 3738 392e 3032 2c2d  420.01C1789.02,-\n-00014430: 3434 352e 3332 2031 3739 342e 3331 2c2d  445.32 1794.31,-\n-00014440: 3530 342e 3139 2031 3831 382e 3536 2c2d  504.19 1818.56,-\n-00014450: 3534 352e 3833 2031 3835 312e 3438 2c2d  545.83 1851.48,-\n-00014460: 3630 322e 3335 2031 3838 312e 3934 2c2d  602.35 1881.94,-\n-00014470: 3539 372e 3833 2031 3932 372e 3536 2c2d  597.83 1927.56,-\n-00014480: 3634 342e 3720 3139 3533 2e32 352c 2d36  644.7 1953.25,-6\n-00014490: 3731 2e31 2031 3936 312e 3235 2c2d 3637  71.1 1961.25,-67\n-000144a0: 362e 3834 2031 3938 312e 3536 2c2d 3730  6.84 1981.56,-70\n-000144b0: 372e 3537 2031 3939 382e 3733 2c2d 3733  7.57 1998.73,-73\n-000144c0: 332e 3536 2031 3939 392e 3532 2c2d 3734  3.56 1999.52,-74\n-000144d0: 322e 3135 2032 3031 322e 3536 2c2d 3737  2.15 2012.56,-77\n-000144e0: 302e 3434 2032 3032 352e 3239 2c2d 3739  0.44 2025.29,-79\n-000144f0: 382e 3036 2032 3032 382e 3933 2c2d 3830  8.06 2028.93,-80\n-00014500: 342e 3832 2032 3033 392e 3536 2c2d 3833  4.82 2039.56,-83\n-00014510: 332e 3331 2032 3034 362e 3038 2c2d 3835  3.31 2046.08,-85\n-00014520: 302e 3739 2032 3035 322e 3435 2c2d 3837  0.79 2052.45,-87\n-00014530: 302e 3935 2032 3035 352e 3633 2c2d 3838  0.95 2055.63,-88\n-00014540: 362e 3031 222f 3e0a 3c70 6f6c 7967 6f6e  6.01\"/>.<polygon\n-00014550: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00014560: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00014570: 2070 6f69 6e74 733d 2232 3035 322e 322c   points=\"2052.2,\n-00014580: 2d38 3836 2e37 2032 3035 372e 3335 2c2d  -886.7 2057.35,-\n-00014590: 3839 352e 3936 2032 3035 392e 312c 2d38  895.96 2059.1,-8\n-000145a0: 3835 2e35 3120 3230 3532 2e32 2c2d 3838  85.51 2052.2,-88\n-000145b0: 362e 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  6.7\"/>.</g>.<!--\n-000145c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000145d0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-000145e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000145f0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00014600: 6365 735f 6177 6820 2d2d 3e0a 3c67 2069  ces_awh -->.<g i\n-00014610: 643d 2265 6467 6539 3722 2063 6c61 7373  d=\"edge97\" class\n-00014620: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00014630: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00014640: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-00014650: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00014660: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00014670: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c  es_awh</title>.<\n-00014680: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00014690: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000146a0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000146b0: 6179 3d22 352c 3222 2064 3d22 4d31 3735  ay=\"5,2\" d=\"M175\n-000146c0: 332e 3735 2c2d 3431 342e 3843 3137 3233  3.75,-414.8C1723\n-000146d0: 2e39 332c 2d34 3233 2e35 3920 3136 3732  .93,-423.59 1672\n-000146e0: 2e35 352c 2d34 3339 2e34 3220 3136 3239  .55,-439.42 1629\n-000146f0: 2e35 362c 2d34 3536 2e30 3920 3134 3039  .56,-456.09 1409\n-00014700: 2e32 362c 2d35 3431 2e35 3120 3133 3730  .26,-541.51 1370\n-00014710: 2e33 342c 2d36 3035 2e32 3720 3131 3433  .34,-605.27 1143\n-00014720: 2e35 362c 2d36 3731 2e35 3720 3130 3535  .56,-671.57 1055\n-00014730: 2e33 392c 2d36 3937 2e33 3520 3934 372e  .39,-697.35 947.\n-00014740: 3732 2c2d 3731 302e 3934 2038 3932 2e37  72,-710.94 892.7\n-00014750: 312c 2d37 3136 2e36 3522 2f3e 0a3c 706f  1,-716.65\"/>.<po\n-00014760: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00014770: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00014780: 3266 6363 2220 706f 696e 7473 3d22 3839  2fcc\" points=\"89\n-00014790: 322e 3334 2c2d 3731 332e 3137 2038 3832  2.34,-713.17 882\n-000147a0: 2e37 352c 2d37 3137 2e36 3620 3839 332e  .75,-717.66 893.\n-000147b0: 3035 2c2d 3732 302e 3134 2038 3932 2e33  05,-720.14 892.3\n-000147c0: 342c 2d37 3133 2e31 3722 2f3e 0a3c 2f67  4,-713.17\"/>.</g\n-000147d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000147e0: 635f 6772 6f6d 6163 735f 656e 6572 6779  c_gromacs_energy\n-000147f0: 616e 616c 7973 6973 202d 2d3e 0a3c 6720  analysis -->.<g \n-00014800: 6964 3d22 6e6f 6465 3231 2220 636c 6173  id=\"node21\" clas\n-00014810: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-00014820: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00014830: 6163 735f 656e 6572 6779 616e 616c 7973  acs_energyanalys\n-00014840: 6973 3c2f 7469 746c 653e 0a3c 6720 6964  is</title>.<g id\n-00014850: 3d22 615f 6e6f 6465 3231 223e 3c61 2078  =\"a_node21\"><a x\n-00014860: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n-00014870: 5f5f 6d6f 6475 6c65 5f5f 656e 6572 6779  __module__energy\n-00014880: 616e 616c 7973 6973 2e78 6874 6d6c 2220  analysis.xhtml\" \n-00014890: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n-000148a0: 696e 6b3a 7469 746c 653d 2265 6e65 7267  ink:title=\"energ\n-000148b0: 7961 6e61 6c79 7369 7322 3e0a 3c65 6c6c  yanalysis\">.<ell\n-000148c0: 6970 7365 2066 696c 6c3d 2223 6666 6363  ipse fill=\"#ffcc\n-000148d0: 6363 2220 7374 726f 6b65 3d22 626c 6163  cc\" stroke=\"blac\n-000148e0: 6b22 2063 783d 2231 3037 322e 3536 2220  k\" cx=\"1072.56\" \n-000148f0: 6379 3d22 2d37 3833 2e38 3822 2072 783d  cy=\"-783.88\" rx=\n-00014900: 2235 362e 3634 2220 7279 3d22 3133 2e33  \"56.64\" ry=\"13.3\n-00014910: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-00014920: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-00014930: 783d 2231 3037 322e 3536 2220 793d 222d  x=\"1072.56\" y=\"-\n-00014940: 3738 312e 3338 2220 666f 6e74 2d66 616d  781.38\" font-fam\n-00014950: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00014960: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00014970: 3e65 6e65 7267 7961 6e61 6c79 7369 733c  >energyanalysis<\n-00014980: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-00014990: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000149a0: 655f 7372 635f 6772 6f6d 6163 735f 656e  e_src_gromacs_en\n-000149b0: 6572 6779 616e 616c 7973 6973 2623 3435  ergyanalysis&#45\n-000149c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000149d0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n-000149e0: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n-000149f0: 6467 6531 3231 2220 636c 6173 733d 2265  dge121\" class=\"e\n-00014a00: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00014a10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00014a20: 656e 6572 6779 616e 616c 7973 6973 2623  energyanalysis&#\n-00014a30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00014a40: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-00014a50: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n-00014a60: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00014a70: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n-00014a80: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00014a90: 2235 2c32 2220 643d 224d 3130 3633 2e38  \"5,2\" d=\"M1063.8\n-00014aa0: 332c 2d37 3730 2e34 3343 3130 3534 2e31  3,-770.43C1054.1\n-00014ab0: 312c 2d37 3534 2e38 3820 3130 3431 2e31  1,-754.88 1041.1\n-00014ac0: 372c 2d37 3237 2e38 3620 3130 3532 2e35  7,-727.86 1052.5\n-00014ad0: 362c 2d37 3037 2e35 3720 3130 3637 2e36  6,-707.57 1067.6\n-00014ae0: 2c2d 3638 302e 3738 2031 3039 302e 3639  ,-680.78 1090.69\n-00014af0: 2c2d 3639 342e 3131 2031 3131 312e 3536  ,-694.11 1111.56\n-00014b00: 2c2d 3637 312e 3537 2031 3139 352e 3436  ,-671.57 1195.46\n-00014b10: 2c2d 3538 302e 3934 2031 3139 382e 3536  ,-580.94 1198.56\n-00014b20: 2c2d 3533 312e 3136 2031 3139 382e 3536  ,-531.16 1198.56\n-00014b30: 2c2d 3430 372e 3636 2031 3139 382e 3536  ,-407.66 1198.56\n-00014b40: 2c2d 3430 372e 3636 2031 3139 382e 3536  ,-407.66 1198.56\n-00014b50: 2c2d 3430 372e 3636 2031 3139 382e 3536  ,-407.66 1198.56\n-00014b60: 2c2d 3231 372e 3035 2031 3139 382e 3536  ,-217.05 1198.56\n-00014b70: 2c2d 3137 302e 3035 2031 3234 332e 3037  ,-170.05 1243.07\n-00014b80: 2c2d 3133 312e 3539 2031 3237 332e 3835  ,-131.59 1273.85\n-00014b90: 2c2d 3131 302e 3622 2f3e 0a3c 706f 6c79  ,-110.6\"/>.<poly\n-00014ba0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n-00014bb0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00014bc0: 706f 696e 7473 3d22 3132 3736 2e30 382c  points=\"1276.08,\n-00014bd0: 2d31 3133 2e33 3320 3132 3832 2e35 312c  -113.33 1282.51,\n-00014be0: 2d31 3034 2e39 3120 3132 3732 2e32 332c  -104.91 1272.23,\n-00014bf0: 2d31 3037 2e34 3820 3132 3736 2e30 382c  -107.48 1276.08,\n-00014c00: 2d31 3133 2e33 3322 2f3e 0a3c 2f67 3e0a  -113.33\"/>.</g>.\n-00014c10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00014c20: 6772 6f6d 6163 735f 656e 6572 6779 616e  gromacs_energyan\n-00014c30: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n-00014c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00014c50: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-00014c60: 6964 3d22 6564 6765 3132 3222 2063 6c61  id=\"edge122\" cla\n-00014c70: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00014c80: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00014c90: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79  macs_energyanaly\n-00014ca0: 7369 7326 2334 353b 2667 743b 6d6f 6475  sis&#45;&gt;modu\n-00014cb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n-00014cc0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n-00014cd0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00014ce0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00014cf0: 2064 3d22 4d31 3039 312e 3931 2c2d 3737   d=\"M1091.91,-77\n-00014d00: 312e 3132 4331 3130 372e 3737 2c2d 3736  1.12C1107.77,-76\n-00014d10: 312e 3433 2031 3133 302e 3734 2c2d 3734  1.43 1130.74,-74\n-00014d20: 372e 3234 2031 3135 302e 3536 2c2d 3733  7.24 1150.56,-73\n-00014d30: 342e 3434 2031 3136 382e 3535 2c2d 3732  4.44 1168.55,-72\n-00014d40: 322e 3832 2031 3137 302e 3631 2c2d 3731  2.82 1170.61,-71\n-00014d50: 352e 3337 2031 3139 302e 3536 2c2d 3730  5.37 1190.56,-70\n-00014d60: 372e 3537 2031 3238 342e 3935 2c2d 3637  7.57 1284.95,-67\n-00014d70: 302e 3636 2031 3430 352e 3735 2c2d 3636  0.66 1405.75,-66\n-00014d80: 312e 3820 3134 3635 2e35 372c 2d36 3539  1.8 1465.57,-659\n-00014d90: 2e37 3322 2f3e 0a3c 706f 6c79 676f 6e20  .73\"/>.<polygon \n-00014da0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00014db0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00014dc0: 706f 696e 7473 3d22 3134 3635 2e37 382c  points=\"1465.78,\n-00014dd0: 2d36 3633 2e32 3220 3134 3735 2e36 372c  -663.22 1475.67,\n-00014de0: 2d36 3539 2e34 3220 3134 3635 2e35 372c  -659.42 1465.57,\n-00014df0: 2d36 3536 2e32 3320 3134 3635 2e37 382c  -656.23 1465.78,\n-00014e00: 2d36 3633 2e32 3222 2f3e 0a3c 2f67 3e0a  -663.22\"/>.</g>.\n-00014e10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00014e20: 6772 6f6d 6163 735f 656e 6572 6779 616e  gromacs_energyan\n-00014e30: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n-00014e40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00014e50: 735f 7374 6174 6973 7469 6373 202d 2d3e  s_statistics -->\n-00014e60: 0a3c 6720 6964 3d22 6564 6765 3132 3322  .<g id=\"edge123\"\n-00014e70: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00014e80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00014e90: 5f67 726f 6d61 6373 5f65 6e65 7267 7961  _gromacs_energya\n-00014ea0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-00014eb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00014ec0: 6373 5f73 7461 7469 7374 6963 733c 2f74  cs_statistics</t\n-00014ed0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00014ee0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00014ef0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00014f00: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00014f10: 643d 224d 3130 3738 2e35 372c 2d37 3730  d=\"M1078.57,-770\n-00014f20: 2e32 3643 3130 3832 2e32 322c 2d37 3632  .26C1082.22,-762\n-00014f30: 2e35 3920 3130 3836 2e39 392c 2d37 3532  .59 1086.99,-752\n-00014f40: 2e35 3920 3130 3931 2e32 332c 2d37 3433  .59 1091.23,-743\n-00014f50: 2e36 3822 2f3e 0a3c 706f 6c79 676f 6e20  .68\"/>.<polygon \n-00014f60: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00014f70: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00014f80: 706f 696e 7473 3d22 3130 3934 2e34 322c  points=\"1094.42,\n-00014f90: 2d37 3435 2e31 3420 3130 3935 2e35 362c  -745.14 1095.56,\n-00014fa0: 2d37 3334 2e36 2031 3038 382e 312c 2d37  -734.6 1088.1,-7\n-00014fb0: 3432 2e31 3220 3130 3934 2e34 322c 2d37  42.12 1094.42,-7\n-00014fc0: 3435 2e31 3422 2f3e 0a3c 2f67 3e0a 3c21  45.14\"/>.</g>.<!\n-00014fd0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00014fe0: 6f6d 6163 735f 656e 6572 6779 616e 616c  omacs_energyanal\n-00014ff0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n-00015000: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00015010: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964  gmxana -->.<g id\n-00015020: 3d22 6564 6765 3132 3422 2063 6c61 7373  =\"edge124\" class\n-00015030: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00015040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00015050: 6373 5f65 6e65 7267 7961 6e61 6c79 7369  cs_energyanalysi\n-00015060: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00015070: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00015080: 616e 613c 2f74 6974 6c65 3e0a 3c70 6174  ana</title>.<pat\n-00015090: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000150a0: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n-000150b0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-000150c0: 2235 2c32 2220 643d 224d 3131 3132 2e39  \"5,2\" d=\"M1112.9\n-000150d0: 312c 2d37 3933 2e34 3343 3131 3231 2e33  1,-793.43C1121.3\n-000150e0: 352c 2d37 3934 2e39 3520 3131 3330 2e32  5,-794.95 1130.2\n-000150f0: 322c 2d37 3936 2e33 3520 3131 3338 2e35  2,-796.35 1138.5\n-00015100: 362c 2d37 3937 2e33 3120 3131 3835 2e33  6,-797.31 1185.3\n-00015110: 2c2d 3830 322e 3638 2031 3935 322e 3031  ,-802.68 1952.01\n-00015120: 2c2d 3739 392e 3335 2031 3938 342e 3536  ,-799.35 1984.56\n-00015130: 2c2d 3833 332e 3331 2031 3939 322e 3832  ,-833.31 1992.82\n-00015140: 2c2d 3834 312e 3933 2031 3939 322e 3134  ,-841.93 1992.14\n-00015150: 2c2d 3835 302e 3935 2031 3938 342e 3536  ,-850.95 1984.56\n-00015160: 2c2d 3836 302e 3138 2031 3931 312e 3231  ,-860.18 1911.21\n-00015170: 2c2d 3934 392e 3536 2031 3036 322e 3634  ,-949.56 1062.64\n-00015180: 2c2d 3130 3136 2e33 2038 3537 2e31 362c  ,-1016.3 857.16,\n-00015190: 2d31 3033 312e 3232 222f 3e0a 3c70 6f6c  -1031.22\"/>.<pol\n-000151a0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n-000151b0: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n-000151c0: 6332 3822 2070 6f69 6e74 733d 2238 3536  c28\" points=\"856\n-000151d0: 2e37 362c 2d31 3032 372e 3734 2038 3437  .76,-1027.74 847\n-000151e0: 2e30 332c 2d31 3033 312e 3935 2038 3537  .03,-1031.95 857\n-000151f0: 2e32 362c 2d31 3033 342e 3732 2038 3536  .26,-1034.72 856\n-00015200: 2e37 362c 2d31 3032 372e 3734 222f 3e0a  .76,-1027.74\"/>.\n-00015210: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00015220: 5f73 7263 5f67 726f 6d61 6373 5f74 6162  _src_gromacs_tab\n-00015230: 6c65 7326 2334 353b 2667 743b 6d6f 6475  les&#45;&gt;modu\n-00015240: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00015250: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n-00015260: 3d22 6564 6765 3132 3722 2063 6c61 7373  =\"edge127\" class\n-00015270: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00015280: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00015290: 6373 5f74 6162 6c65 7326 2334 353b 2667  cs_tables&#45;&g\n-000152a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000152b0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-000152c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000152d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000152e0: 6266 6266 6266 2220 643d 224d 3130 3738  bfbfbf\" d=\"M1078\n-000152f0: 2e35 352c 2d31 3637 2e37 3643 3130 3438  .55,-167.76C1048\n-00015300: 2e36 332c 2d32 3030 2e31 3420 3936 362e  .63,-200.14 966.\n-00015310: 3136 2c2d 3239 352e 3634 2039 3337 2e35  16,-295.64 937.5\n-00015320: 362c 2d33 3933 2e32 3220 3839 332e 3338  6,-393.22 893.38\n-00015330: 2c2d 3534 332e 3935 2039 3031 2e39 382c  ,-543.95 901.98,\n-00015340: 2d36 3432 2e38 3220 3130 3239 2e35 362c  -642.82 1029.56,\n-00015350: 2d37 3334 2e34 3420 3130 3834 2e31 322c  -734.44 1084.12,\n-00015360: 2d37 3733 2e36 3220 3135 3530 2e39 342c  -773.62 1550.94,\n-00015370: 2d37 3831 2e31 3420 3137 3034 2e31 2c2d  -781.14 1704.1,-\n-00015380: 3738 322e 3535 222f 3e0a 3c70 6f6c 7967  782.55\"/>.<polyg\n-00015390: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-000153a0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-000153b0: 6622 2070 6f69 6e74 733d 2231 3730 342e  f\" points=\"1704.\n-000153c0: 3133 2c2d 3738 362e 3035 2031 3731 342e  13,-786.05 1714.\n-000153d0: 3136 2c2d 3738 322e 3634 2031 3730 342e  16,-782.64 1704.\n-000153e0: 3139 2c2d 3737 392e 3035 2031 3730 342e  19,-779.05 1704.\n-000153f0: 3133 2c2d 3738 362e 3035 222f 3e0a 3c2f  13,-786.05\"/>.</\n-00015400: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00015410: 7263 5f67 726f 6d61 6373 5f74 6162 6c65  rc_gromacs_table\n-00015420: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00015430: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-00015440: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n-00015450: 6467 6531 3235 2220 636c 6173 733d 2265  dge125\" class=\"e\n-00015460: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00015470: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00015480: 7461 626c 6573 2623 3435 3b26 6774 3b6d  tables&#45;&gt;m\n+0000fd10: 6179 3d22 352c 3222 2064 3d22 4d33 3031  ay=\"5,2\" d=\"M301\n+0000fd20: 2c2d 3135 3943 3430 312e 3131 2c2d 3136  ,-159C401.11,-16\n+0000fd30: 352e 3137 2036 3235 2e38 362c 2d31 3831  5.17 625.86,-181\n+0000fd40: 2e32 3120 3639 392c 2d32 3034 2e36 3120  .21 699,-204.61 \n+0000fd50: 3735 332e 3337 2c2d 3232 322e 3031 2037  753.37,-222.01 7\n+0000fd60: 3733 2e39 392c 2d32 3234 2e30 3220 3831  73.99,-224.02 81\n+0000fd70: 312c 2d32 3637 2e34 3820 3837 372e 3133  1,-267.48 877.13\n+0000fd80: 2c2d 3334 352e 3134 2038 3231 2e37 362c  ,-345.14 821.76,\n+0000fd90: 2d34 3037 2e31 3420 3839 302c 2d34 3832  -407.14 890,-482\n+0000fda0: 2e39 3620 3130 3036 2e31 2c2d 3631 312e  .96 1006.1,-611.\n+0000fdb0: 3936 2031 3232 332e 3735 2c2d 3634 352e  96 1223.75,-645.\n+0000fdc0: 3432 2031 3332 362e 3532 2c2d 3635 342e  42 1326.52,-654.\n+0000fdd0: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n+0000fde0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0000fdf0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0000fe00: 696e 7473 3d22 3133 3236 2e34 352c 2d36  ints=\"1326.45,-6\n+0000fe10: 3537 2e36 3120 3133 3336 2e36 392c 2d36  57.61 1336.69,-6\n+0000fe20: 3534 2e39 3120 3133 3237 2c2d 3635 302e  54.91 1327,-650.\n+0000fe30: 3633 2031 3332 362e 3435 2c2d 3635 372e  63 1326.45,-657.\n+0000fe40: 3631 222f 3e0a 3c2f 673e 0a3c 212d 2d20  61\"/>.</g>.<!-- \n+0000fe50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000fe60: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n+0000fe70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000fe80: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+0000fe90: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+0000fea0: 6539 3922 2063 6c61 7373 3d22 6564 6765  e99\" class=\"edge\n+0000feb0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000fec0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+0000fed0: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n+0000fee0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000fef0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n+0000ff00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000ff10: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0000ff20: 6662 6662 6622 2064 3d22 4d33 3031 2e32  fbfbf\" d=\"M301.2\n+0000ff30: 322c 2d31 3538 2e36 3743 3334 382e 3537  2,-158.67C348.57\n+0000ff40: 2c2d 3136 312e 3239 2034 3231 2e37 392c  ,-161.29 421.79,\n+0000ff50: 2d31 3635 2e34 3520 3438 352c 2d31 3638  -165.45 485,-168\n+0000ff60: 2e36 3120 3537 342e 3837 2c2d 3137 332e  .61 574.87,-173.\n+0000ff70: 3120 3132 3137 2e37 322c 2d31 3536 2e38  1 1217.72,-156.8\n+0000ff80: 3920 3132 3934 2c2d 3230 342e 3631 2031  9 1294,-204.61 1\n+0000ff90: 3333 352e 342c 2d32 3330 2e35 3120 3133  335.4,-230.51 13\n+0000ffa0: 3535 2e35 362c 2d32 3837 2e36 3920 3133  55.56,-287.69 13\n+0000ffb0: 3630 2e38 382c 2d33 3139 2e37 3922 2f3e  60.88,-319.79\"/>\n+0000ffc0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0000ffd0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0000ffe0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+0000fff0: 3d22 3133 3537 2e34 352c 2d33 3230 2e35  =\"1357.45,-320.5\n+00010000: 3120 3133 3632 2e31 362c 2d33 3330 2031  1 1362.16,-330 1\n+00010010: 3336 342e 3339 2c2d 3331 392e 3634 2031  364.39,-319.64 1\n+00010020: 3335 372e 3435 2c2d 3332 302e 3531 222f  357.45,-320.51\"/\n+00010030: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00010040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n+00010050: 6973 7465 645f 666f 7263 6573 2623 3435  isted_forces&#45\n+00010060: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00010070: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d  gromacs_nbnxm --\n+00010080: 3e0a 3c67 2069 643d 2265 6467 6531 3033  >.<g id=\"edge103\n+00010090: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000100a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000100b0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+000100c0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+000100d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000100e0: 6373 5f6e 626e 786d 3c2f 7469 746c 653e  cs_nbnxm</title>\n+000100f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00010100: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n+00010110: 643d 224d 3231 342e 382c 2d31 3634 2e34  d=\"M214.8,-164.4\n+00010120: 3243 3139 312e 3239 2c2d 3137 312e 3139  2C191.29,-171.19\n+00010130: 2031 3632 2e32 2c2d 3138 332e 3239 2031   162.2,-183.29 1\n+00010140: 3434 2c2d 3230 342e 3631 2031 3231 2e36  44,-204.61 121.6\n+00010150: 362c 2d32 3330 2e37 3920 3132 362c 2d32  6,-230.79 126,-2\n+00010160: 3435 2e35 2031 3236 2c2d 3237 392e 3932  45.5 126,-279.92\n+00010170: 2031 3236 2c2d 3834 372e 3735 2031 3236   126,-847.75 126\n+00010180: 2c2d 3834 372e 3735 2031 3236 2c2d 3834  ,-847.75 126,-84\n+00010190: 372e 3735 2031 3236 2c2d 3930 312e 3632  7.75 126,-901.62\n+000101a0: 2031 3731 2e32 332c 2d39 3032 2e34 3120   171.23,-902.41 \n+000101b0: 3232 312c 2d39 3233 2e30 3520 3334 342e  221,-923.05 344.\n+000101c0: 3233 2c2d 3937 342e 3136 2033 3837 2e39  23,-974.16 387.9\n+000101d0: 382c 2d39 3333 2e39 3320 3531 392c 2d39  8,-933.93 519,-9\n+000101e0: 3539 2e30 3520 3532 302e 3933 2c2d 3935  59.05 520.93,-95\n+000101f0: 392e 3432 2035 3232 2e38 392c 2d39 3539  9.42 522.89,-959\n+00010200: 2e38 3320 3532 342e 3837 2c2d 3936 302e  .83 524.87,-960.\n+00010210: 3236 222f 3e0a 3c70 6f6c 7967 6f6e 2066  26\"/>.<polygon f\n+00010220: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+00010230: 3d22 7265 6422 2070 6f69 6e74 733d 2235  =\"red\" points=\"5\n+00010240: 3234 2e31 322c 2d39 3633 2e36 3820 3533  24.12,-963.68 53\n+00010250: 342e 3636 2c2d 3936 322e 3538 2035 3235  4.66,-962.58 525\n+00010260: 2e37 342c 2d39 3536 2e38 3720 3532 342e  .74,-956.87 524.\n+00010270: 3132 2c2d 3936 332e 3638 222f 3e0a 3c2f  12,-963.68\"/>.</\n+00010280: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00010290: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+000102a0: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n+000102b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000102c0: 6163 735f 7461 626c 6573 202d 2d3e 0a3c  acs_tables -->.<\n+000102d0: 6720 6964 3d22 6564 6765 3130 3122 2063  g id=\"edge101\" c\n+000102e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+000102f0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00010300: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+00010310: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00010320: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00010330: 7461 626c 6573 3c2f 7469 746c 653e 0a3c  tables</title>.<\n+00010340: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00010350: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00010360: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00010370: 6179 3d22 352c 3222 2064 3d22 4d32 3638  ay=\"5,2\" d=\"M268\n+00010380: 2e33 392c 2d31 3432 2e34 3443 3238 312e  .39,-142.44C281.\n+00010390: 3137 2c2d 3133 332e 3238 2032 3939 2e31  17,-133.28 299.1\n+000103a0: 2c2d 3132 302e 3434 2033 3133 2e34 332c  ,-120.44 313.43,\n+000103b0: 2d31 3130 2e31 3922 2f3e 0a3c 706f 6c79  -110.19\"/>.<poly\n+000103c0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+000103d0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+000103e0: 6363 2220 706f 696e 7473 3d22 3331 352e  cc\" points=\"315.\n+000103f0: 3731 2c2d 3131 322e 3836 2033 3231 2e38  71,-112.86 321.8\n+00010400: 2c2d 3130 342e 3139 2033 3131 2e36 342c  ,-104.19 311.64,\n+00010410: 2d31 3037 2e31 3620 3331 352e 3731 2c2d  -107.16 315.71,-\n+00010420: 3131 322e 3836 222f 3e0a 3c2f 673e 0a3c  112.86\"/>.</g>.<\n+00010430: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00010440: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+00010450: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00010460: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00010470: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n+00010480: 6964 3d22 6564 6765 3130 3222 2063 6c61  id=\"edge102\" cla\n+00010490: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000104a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000104b0: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+000104c0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+000104d0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+000104e0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n+000104f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00010500: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+00010510: 224d 3330 312e 3036 2c2d 3135 312e 3431  \"M301.06,-151.41\n+00010520: 4333 3530 2e33 322c 2d31 3438 2e37 2034  C350.32,-148.7 4\n+00010530: 3238 2e34 312c 2d31 3434 2e35 3720 3439  28.41,-144.57 49\n+00010540: 362c 2d31 3431 2e37 3420 3130 3535 2e32  6,-141.74 1055.2\n+00010550: 362c 2d31 3138 2e33 2031 3733 342e 3238  6,-118.3 1734.28\n+00010560: 2c2d 3939 2e35 3720 3139 3230 2e36 362c  ,-99.57 1920.66,\n+00010570: 2d39 342e 3622 2f3e 0a3c 706f 6c79 676f  -94.6\"/>.<polygo\n+00010580: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+00010590: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+000105a0: 3d22 3139 3230 2e38 2c2d 3938 2e31 2031  =\"1920.8,-98.1 1\n+000105b0: 3933 302e 372c 2d39 342e 3334 2031 3932  930.7,-94.34 192\n+000105c0: 302e 3631 2c2d 3931 2e31 2031 3932 302e  0.61,-91.1 1920.\n+000105d0: 382c 2d39 382e 3122 2f3e 0a3c 2f67 3e0a  8,-98.1\"/>.</g>.\n+000105e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000105f0: 6772 6f6d 6163 735f 6d69 6d69 6326 2334  gromacs_mimic&#4\n+00010600: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00010610: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n+00010620: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130  ->.<g id=\"edge10\n+00010630: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+00010640: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00010650: 7263 5f67 726f 6d61 6373 5f6d 696d 6963  rc_gromacs_mimic\n+00010660: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00010670: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00010680: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00010690: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000106a0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+000106b0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+000106c0: 2c32 2220 643d 224d 3133 3932 2e39 2c2d  ,2\" d=\"M1392.9,-\n+000106d0: 3339 332e 3633 4331 3338 372e 3435 2c2d  393.63C1387.45,-\n+000106e0: 3338 352e 3534 2031 3338 302e 3133 2c2d  385.54 1380.13,-\n+000106f0: 3337 342e 3638 2031 3337 332e 3738 2c2d  374.68 1373.78,-\n+00010700: 3336 352e 3235 222f 3e0a 3c70 6f6c 7967  365.25\"/>.<polyg\n+00010710: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00010720: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00010730: 6322 2070 6f69 6e74 733d 2231 3337 362e  c\" points=\"1376.\n+00010740: 3537 2c2d 3336 332e 3133 2031 3336 382e  57,-363.13 1368.\n+00010750: 3038 2c2d 3335 362e 3739 2031 3337 302e  08,-356.79 1370.\n+00010760: 3737 2c2d 3336 372e 3034 2031 3337 362e  77,-367.04 1376.\n+00010770: 3537 2c2d 3336 332e 3133 222f 3e0a 3c2f  57,-363.13\"/>.</\n+00010780: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00010790: 7263 5f67 726f 6d61 6373 5f70 756c 6c69  rc_gromacs_pulli\n+000107a0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c  ng&#45;&gt;modul\n+000107b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+000107c0: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+000107d0: 2265 6467 6531 3132 2220 636c 6173 733d  \"edge112\" class=\n+000107e0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+000107f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010800: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n+00010810: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00010820: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n+00010830: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00010840: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00010850: 6266 6266 6266 2220 643d 224d 3130 3639  bfbfbf\" d=\"M1069\n+00010860: 2e38 342c 2d34 3831 2e39 3643 3130 3630  .84,-481.96C1060\n+00010870: 2c2d 3439 312e 3437 2031 3034 362e 3032  ,-491.47 1046.02\n+00010880: 2c2d 3530 352e 3537 2031 3033 352c 2d35  ,-505.57 1035,-5\n+00010890: 3138 2e39 3620 3933 392e 3337 2c2d 3633  18.96 939.37,-63\n+000108a0: 352e 3233 2039 3238 2e39 362c 2d36 3734  5.23 928.96,-674\n+000108b0: 2e34 3320 3834 322c 2d37 3937 2e33 3120  .43 842,-797.31 \n+000108c0: 3833 302e 362c 2d38 3133 2e34 3220 3832  830.6,-813.42 82\n+000108d0: 352e 352c 2d38 3136 2e30 3120 3831 362c  5.5,-816.01 816,\n+000108e0: 2d38 3333 2e33 3120 3830 312e 3533 2c2d  -833.31 801.53,-\n+000108f0: 3835 392e 3637 2037 3936 2e38 2c2d 3836  859.67 796.8,-86\n+00010900: 362e 3638 2037 3931 2c2d 3839 362e 3138  6.68 791,-896.18\n+00010910: 2037 3738 2e35 352c 2d39 3539 2e35 2037   778.55,-959.5 7\n+00010920: 3833 2e30 342c 2d31 3033 362e 3231 2037  83.04,-1036.21 7\n+00010930: 3836 2e34 392c 2d31 3037 332e 3936 222f  86.49,-1073.96\"/\n+00010940: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00010950: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00010960: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00010970: 733d 2237 3833 2e30 352c 2d31 3037 342e  s=\"783.05,-1074.\n+00010980: 3735 2037 3837 2e35 312c 2d31 3038 342e  75 787.51,-1084.\n+00010990: 3336 2037 3930 2e30 322c 2d31 3037 342e  36 790.02,-1074.\n+000109a0: 3037 2037 3833 2e30 352c 2d31 3037 342e  07 783.05,-1074.\n+000109b0: 3735 222f 3e0a 3c2f 673e 0a3c 212d 2d20  75\"/>.</g>.<!-- \n+000109c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000109d0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n+000109e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000109f0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e  omacs_gmxlib -->\n+00010a00: 0a3c 6720 6964 3d22 6564 6765 3131 3022  .<g id=\"edge110\"\n+00010a10: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00010a20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00010a30: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n+00010a40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00010a50: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n+00010a60: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+00010a70: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00010a80: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00010a90: 224d 3130 3734 2e38 312c 2d34 3832 2e36  \"M1074.81,-482.6\n+00010aa0: 3843 3130 3538 2e31 342c 2d35 3130 2e39  8C1058.14,-510.9\n+00010ab0: 3320 3130 3135 2e37 322c 2d35 3833 2e32  3 1015.72,-583.2\n+00010ac0: 3620 3938 322c 2d36 3434 2e37 2039 3435  6 982,-644.7 945\n+00010ad0: 2e31 352c 2d37 3131 2e38 3320 3935 352e  .15,-711.83 955.\n+00010ae0: 3533 2c2d 3734 322e 3534 2039 3032 2c2d  53,-742.54 902,-\n+00010af0: 3739 372e 3331 2038 3738 2e39 322c 2d38  797.31 878.92,-8\n+00010b00: 3230 2e39 3320 3835 342e 372c 2d38 3035  20.93 854.7,-805\n+00010b10: 2e34 3320 3833 372c 2d38 3333 2e33 3120  .43 837,-833.31 \n+00010b20: 3832 372e 3133 2c2d 3834 382e 3836 2038  827.13,-848.86 8\n+00010b30: 3236 2e35 392c 2d38 3730 2e30 3420 3832  26.59,-870.04 82\n+00010b40: 382e 3131 2c2d 3838 352e 3937 222f 3e0a  8.11,-885.97\"/>.\n+00010b50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00010b60: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00010b70: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00010b80: 2238 3234 2e36 362c 2d38 3836 2e35 3620  \"824.66,-886.56 \n+00010b90: 3832 392e 342c 2d38 3936 2e30 3420 3833  829.4,-896.04 83\n+00010ba0: 312e 362c 2d38 3835 2e36 3720 3832 342e  1.6,-885.67 824.\n+00010bb0: 3636 2c2d 3838 362e 3536 222f 3e0a 3c2f  66,-886.56\"/>.</\n+00010bc0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00010bd0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69  rc_gromacs_pulli\n+00010be0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c  ng&#45;&gt;modul\n+00010bf0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00010c00: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+00010c10: 6564 6765 3130 3822 2063 6c61 7373 3d22  edge108\" class=\"\n+00010c20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00010c30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00010c40: 5f70 756c 6c69 6e67 2623 3435 3b26 6774  _pulling&#45;&gt\n+00010c50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00010c60: 6163 735f 646f 6d64 6563 3c2f 7469 746c  acs_domdec</titl\n+00010c70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00010c80: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+00010c90: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+00010ca0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00010cb0: 4d31 3037 352e 3535 2c2d 3435 362e 3135  M1075.55,-456.15\n+00010cc0: 4331 3035 342e 382c 2d34 3136 2e33 3320  C1054.8,-416.33 \n+00010cd0: 3938 392e 3537 2c2d 3239 312e 3135 2039  989.57,-291.15 9\n+00010ce0: 3633 2e32 312c 2d32 3430 2e35 3722 2f3e  63.21,-240.57\"/>\n+00010cf0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00010d00: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00010d10: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00010d20: 3d22 3936 362e 3231 2c2d 3233 382e 3734  =\"966.21,-238.74\n+00010d30: 2039 3538 2e34 392c 2d32 3331 2e34 3920   958.49,-231.49 \n+00010d40: 3936 302c 2d32 3431 2e39 3820 3936 362e  960,-241.98 966.\n+00010d50: 3231 2c2d 3233 382e 3734 222f 3e0a 3c2f  21,-238.74\"/>.</\n+00010d60: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00010d70: 7263 5f67 726f 6d61 6373 5f70 756c 6c69  rc_gromacs_pulli\n+00010d80: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c  ng&#45;&gt;modul\n+00010d90: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00010da0: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c  runutility -->.<\n+00010db0: 6720 6964 3d22 6564 6765 3131 3322 2063  g id=\"edge113\" c\n+00010dc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00010dd0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00010de0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623  romacs_pulling&#\n+00010df0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00010e00: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00010e10: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n+00010e20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00010e30: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00010e40: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00010e50: 6179 3d22 352c 3222 2064 3d22 4d31 3130  ay=\"5,2\" d=\"M110\n+00010e60: 342e 3537 2c2d 3437 392e 3132 4331 3133  4.57,-479.12C113\n+00010e70: 302e 3535 2c2d 3438 392e 3420 3131 3731  0.55,-489.4 1171\n+00010e80: 2e30 352c 2d35 3036 2e37 3520 3131 3832  .05,-506.75 1182\n+00010e90: 2c2d 3531 382e 3936 2031 3231 302e 3237  ,-518.96 1210.27\n+00010ea0: 2c2d 3535 302e 3438 2031 3138 332e 3132  ,-550.48 1183.12\n+00010eb0: 2c2d 3537 392e 3732 2031 3231 342c 2d36  ,-579.72 1214,-6\n+00010ec0: 3038 2e37 2031 3234 342e 3331 2c2d 3633  08.7 1244.31,-63\n+00010ed0: 372e 3135 2031 3239 302e 322c 2d36 3439  7.15 1290.2,-649\n+00010ee0: 2e30 3420 3133 3236 2e35 322c 2d36 3533  .04 1326.52,-653\n+00010ef0: 2e39 3322 2f3e 0a3c 706f 6c79 676f 6e20  .93\"/>.<polygon \n+00010f00: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00010f10: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00010f20: 706f 696e 7473 3d22 3133 3236 2e31 342c  points=\"1326.14,\n+00010f30: 2d36 3537 2e34 3120 3133 3336 2e34 392c  -657.41 1336.49,\n+00010f40: 2d36 3535 2e31 3320 3133 3236 2e39 382c  -655.13 1326.98,\n+00010f50: 2d36 3530 2e34 3620 3133 3236 2e31 342c  -650.46 1326.14,\n+00010f60: 2d36 3537 2e34 3122 2f3e 0a3c 2f67 3e0a  -657.41\"/>.</g>.\n+00010f70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00010f80: 6772 6f6d 6163 735f 7075 6c6c 696e 6726  gromacs_pulling&\n+00010f90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00010fa0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00010fb0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00010fc0: 3131 3122 2063 6c61 7373 3d22 6564 6765  111\" class=\"edge\n+00010fd0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00010fe0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c  _src_gromacs_pul\n+00010ff0: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64  ling&#45;&gt;mod\n+00011000: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011010: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+00011020: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00011030: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00011040: 2064 3d22 4d31 3130 322e 392c 2d34 3539   d=\"M1102.9,-459\n+00011050: 2e32 3243 3131 3531 2e39 372c 2d34 3337  .22C1151.97,-437\n+00011060: 2e33 3820 3132 3734 2e37 2c2d 3338 322e  .38 1274.7,-382.\n+00011070: 3735 2031 3333 302e 3937 2c2d 3335 372e  75 1330.97,-357.\n+00011080: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066  71\"/>.<polygon f\n+00011090: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+000110a0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+000110b0: 6f69 6e74 733d 2231 3333 322e 3635 2c2d  oints=\"1332.65,-\n+000110c0: 3336 302e 3739 2031 3334 302e 3336 2c2d  360.79 1340.36,-\n+000110d0: 3335 332e 3533 2031 3332 392e 382c 2d33  353.53 1329.8,-3\n+000110e0: 3534 2e34 2031 3333 322e 3635 2c2d 3336  54.4 1332.65,-36\n+000110f0: 302e 3739 222f 3e0a 3c2f 673e 0a3c 212d  0.79\"/>.</g>.<!-\n+00011100: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00011110: 6d61 6373 5f70 756c 6c69 6e67 2623 3435  macs_pulling&#45\n+00011120: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00011130: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00011140: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n+00011150: 6467 6531 3037 2220 636c 6173 733d 2265  dge107\" class=\"e\n+00011160: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00011170: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011180: 7075 6c6c 696e 6726 2334 353b 2667 743b  pulling&#45;&gt;\n+00011190: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000111a0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n+000111b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000111c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000111d0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+000111e0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+000111f0: 3d22 4d31 3037 352e 3432 2c2d 3438 322e  =\"M1075.42,-482.\n+00011200: 3837 4331 3035 352e 3032 2c2d 3532 312e  87C1055.02,-521.\n+00011210: 3137 2039 3934 2e31 342c 2d36 3335 2e38  17 994.14,-635.8\n+00011220: 3920 3939 322c 2d36 3434 2e37 2039 3832  9 992,-644.7 982\n+00011230: 2e35 382c 2d36 3833 2e34 3620 3937 322e  .58,-683.46 972.\n+00011240: 3731 2c2d 3639 392e 3533 2039 3932 2c2d  71,-699.53 992,-\n+00011250: 3733 342e 3434 2031 3031 372e 3339 2c2d  734.44 1017.39,-\n+00011260: 3738 302e 3339 2031 3034 322e 3136 2c2d  780.39 1042.16,-\n+00011270: 3738 302e 3831 2031 3039 322c 2d37 3937  780.81 1092,-797\n+00011280: 2e33 3120 3132 3836 2e32 352c 2d38 3631  .31 1286.25,-861\n+00011290: 2e36 3320 3133 3437 2e32 312c 2d38 3134  .63 1347.21,-814\n+000112a0: 2e38 3520 3135 3531 2c2d 3833 332e 3331  .85 1551,-833.31\n+000112b0: 2031 3537 312e 3936 2c2d 3833 352e 3231   1571.96,-835.21\n+000112c0: 2031 3539 342e 3934 2c2d 3833 372e 3531   1594.94,-837.51\n+000112d0: 2031 3631 352e 3139 2c2d 3833 392e 3632   1615.19,-839.62\n+000112e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000112f0: 6c3d 2262 6c61 636b 2220 7374 726f 6b65  l=\"black\" stroke\n+00011300: 3d22 626c 6163 6b22 2070 6f69 6e74 733d  =\"black\" points=\n+00011310: 2231 3631 342e 3838 2c2d 3834 332e 3131  \"1614.88,-843.11\n+00011320: 2031 3632 352e 322c 2d38 3430 2e36 3720   1625.2,-840.67 \n+00011330: 3136 3135 2e36 312c 2d38 3336 2e31 3520  1615.61,-836.15 \n+00011340: 3136 3134 2e38 382c 2d38 3433 2e31 3122  1614.88,-843.11\"\n+00011350: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00011360: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011370: 7075 6c6c 696e 6726 2334 353b 2667 743b  pulling&#45;&gt;\n+00011380: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00011390: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67  cs_fileio -->.<g\n+000113a0: 2069 643d 2265 6467 6531 3039 2220 636c   id=\"edge109\" cl\n+000113b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000113c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000113d0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334  omacs_pulling&#4\n+000113e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000113f0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c  _gromacs_fileio<\n+00011400: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00011410: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00011420: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00011430: 3037 392e 3532 2c2d 3438 3343 3130 3735  079.52,-483C1075\n+00011440: 2e31 322c 2d35 3038 2e35 3520 3130 3638  .12,-508.55 1068\n+00011450: 2e35 2c2d 3536 372e 3833 2031 3039 322c  .5,-567.83 1092,\n+00011460: 2d36 3038 2e37 2031 3134 382e 3731 2c2d  -608.7 1148.71,-\n+00011470: 3730 372e 3334 2031 3238 352e 3632 2c2d  707.34 1285.62,-\n+00011480: 3735 362e 3331 2031 3334 392e 3333 2c2d  756.31 1349.33,-\n+00011490: 3737 342e 3339 222f 3e0a 3c70 6f6c 7967  774.39\"/>.<polyg\n+000114a0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+000114b0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000114c0: 6622 2070 6f69 6e74 733d 2231 3334 382e  f\" points=\"1348.\n+000114d0: 372c 2d37 3737 2e38 3420 3133 3539 2e32  7,-777.84 1359.2\n+000114e0: 372c 2d37 3737 2e31 3320 3133 3530 2e35  7,-777.13 1350.5\n+000114f0: 362c 2d37 3731 2e31 2031 3334 382e 372c  6,-771.1 1348.7,\n+00011500: 2d37 3737 2e38 3422 2f3e 0a3c 2f67 3e0a  -777.84\"/>.</g>.\n+00011510: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00011520: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+00011530: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+00011540: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00011550: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n+00011560: 3c67 2069 643d 2265 6467 6531 3137 2220  <g id=\"edge117\" \n+00011570: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00011580: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00011590: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+000115a0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+000115b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000115c0: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+000115d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000115e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+000115f0: 6422 2064 3d22 4d37 3539 2e34 352c 2d35  d\" d=\"M759.45,-5\n+00011600: 3435 2e36 3943 3732 332e 3631 2c2d 3537  45.69C723.61,-57\n+00011610: 392e 3635 2036 3239 2c2d 3637 392e 3131  9.65 629,-679.11\n+00011620: 2036 3239 2c2d 3738 322e 3838 2036 3239   629,-782.88 629\n+00011630: 2c2d 3937 332e 3439 2036 3239 2c2d 3937  ,-973.49 629,-97\n+00011640: 332e 3439 2036 3239 2c2d 3937 332e 3439  3.49 629,-973.49\n+00011650: 2036 3239 2c2d 3130 3334 2e36 3320 3730   629,-1034.63 70\n+00011660: 332e 3031 2c2d 3130 3639 2e38 3420 3735  3.01,-1069.84 75\n+00011670: 302e 3336 2c2d 3130 3836 2e31 3122 2f3e  0.36,-1086.11\"/>\n+00011680: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00011690: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+000116a0: 2220 706f 696e 7473 3d22 3734 392e 3433  \" points=\"749.43\n+000116b0: 2c2d 3130 3839 2e34 3920 3736 302e 3033  ,-1089.49 760.03\n+000116c0: 2c2d 3130 3839 2e33 2037 3531 2e36 322c  ,-1089.3 751.62,\n+000116d0: 2d31 3038 322e 3834 2037 3439 2e34 332c  -1082.84 749.43,\n+000116e0: 2d31 3038 392e 3439 222f 3e0a 3c2f 673e  -1089.49\"/>.</g>\n+000116f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00011700: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+00011710: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+00011720: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00011730: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+00011740: 3c67 2069 643d 2265 6467 6531 3234 2220  <g id=\"edge124\" \n+00011750: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00011760: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00011770: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+00011780: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+00011790: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000117a0: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+000117b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000117c0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+000117d0: 6266 6266 2220 643d 224d 3736 392e 3939  bfbf\" d=\"M769.99\n+000117e0: 2c2d 3534 362e 3035 4337 3637 2e38 342c  ,-546.05C767.84,\n+000117f0: 2d35 3535 2e37 3720 3736 352e 3133 2c2d  -555.77 765.13,-\n+00011800: 3536 392e 3537 2037 3634 2c2d 3538 312e  569.57 764,-581.\n+00011810: 3833 2037 3632 2e39 2c2d 3539 332e 3732  83 762.9,-593.72\n+00011820: 2037 3633 2e37 352c 2d35 3936 2e37 3620   763.75,-596.76 \n+00011830: 3736 342c 2d36 3038 2e37 2037 3635 2e37  764,-608.7 765.7\n+00011840: 382c 2d36 3932 2e35 3820 3735 302e 3731  8,-692.58 750.71\n+00011850: 2c2d 3731 362e 3136 2037 3732 2c2d 3739  ,-716.16 772,-79\n+00011860: 372e 3331 2037 3830 2e39 372c 2d38 3331  7.31 780.97,-831\n+00011870: 2e35 2038 3032 2e33 392c 2d38 3636 2e37  .5 802.39,-866.7\n+00011880: 3120 3831 372e 3035 2c2d 3838 382e 3133  1 817.05,-888.13\n+00011890: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000118a0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+000118b0: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+000118c0: 6e74 733d 2238 3134 2e32 362c 2d38 3930  nts=\"814.26,-890\n+000118d0: 2e32 3520 3832 322e 3836 2c2d 3839 362e  .25 822.86,-896.\n+000118e0: 3433 2038 3139 2e39 392c 2d38 3836 2e32  43 819.99,-886.2\n+000118f0: 3320 3831 342e 3236 2c2d 3839 302e 3235  3 814.26,-890.25\n+00011900: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00011910: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00011920: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+00011930: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+00011940: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+00011950: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n+00011960: 3d22 6564 6765 3132 3622 2063 6c61 7373  =\"edge126\" class\n+00011970: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00011980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00011990: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+000119a0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n+000119b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+000119c0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n+000119d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000119e0: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" stroke=\"black\n+000119f0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00011a00: 6179 3d22 352c 3222 2064 3d22 4d37 3731  ay=\"5,2\" d=\"M771\n+00011a10: 2e38 372c 2d35 3435 2e39 3543 3736 362e  .87,-545.95C766.\n+00011a20: 3735 2c2d 3630 342e 3431 2037 3436 2e39  75,-604.41 746.9\n+00011a30: 372c 2d38 3530 2e32 2037 3639 2c2d 3932  7,-850.2 769,-92\n+00011a40: 332e 3035 2037 3738 2e32 362c 2d39 3533  3.05 778.26,-953\n+00011a50: 2e36 3620 3738 302e 3735 2c2d 3936 332e  .66 780.75,-963.\n+00011a60: 3936 2038 3034 2c2d 3938 352e 3932 2038  96 804,-985.92 8\n+00011a70: 3231 2e34 372c 2d31 3030 322e 3433 2038  21.47,-1002.43 8\n+00011a80: 3435 2e36 332c 2d31 3031 342e 3334 2038  45.63,-1014.34 8\n+00011a90: 3635 2e38 322c 2d31 3032 322e 3232 222f  65.82,-1022.22\"/\n+00011aa0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00011ab0: 2262 6c61 636b 2220 7374 726f 6b65 3d22  \"black\" stroke=\"\n+00011ac0: 626c 6163 6b22 2070 6f69 6e74 733d 2238  black\" points=\"8\n+00011ad0: 3634 2e37 382c 2d31 3032 352e 3537 2038  64.78,-1025.57 8\n+00011ae0: 3735 2e33 372c 2d31 3032 352e 3737 2038  75.37,-1025.77 8\n+00011af0: 3637 2e32 322c 2d31 3031 3920 3836 342e  67.22,-1019 864.\n+00011b00: 3738 2c2d 3130 3235 2e35 3722 2f3e 0a3c  78,-1025.57\"/>.<\n+00011b10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00011b20: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n+00011b30: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n+00011b40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00011b50: 6772 6f6d 6163 735f 646f 6d64 6563 202d  gromacs_domdec -\n+00011b60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3131  ->.<g id=\"edge11\n+00011b70: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n+00011b80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00011b90: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+00011ba0: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+00011bb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00011bc0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+00011bd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00011be0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00011bf0: 7265 6422 2064 3d22 4d37 3834 2e39 362c  red\" d=\"M784.96,\n+00011c00: 2d35 3138 2e38 3643 3739 332e 3631 2c2d  -518.86C793.61,-\n+00011c10: 3530 392e 3432 2038 3035 2e32 372c 2d34  509.42 805.27,-4\n+00011c20: 3935 2e39 3420 3831 342c 2d34 3832 2e39  95.94 814,-482.9\n+00011c30: 3620 3831 372e 382c 2d34 3737 2e33 3120  6 817.8,-477.31 \n+00011c40: 3930 382e 3835 2c2d 3330 322e 3134 2039  908.85,-302.14 9\n+00011c50: 3430 2e39 342c 2d32 3430 2e33 3622 2f3e  40.94,-240.36\"/>\n+00011c60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00011c70: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+00011c80: 2220 706f 696e 7473 3d22 3934 342e 3035  \" points=\"944.05\n+00011c90: 2c2d 3234 312e 3935 2039 3435 2e35 362c  ,-241.95 945.56,\n+00011ca0: 2d32 3331 2e34 3620 3933 372e 3834 2c2d  -231.46 937.84,-\n+00011cb0: 3233 382e 3732 2039 3434 2e30 352c 2d32  238.72 944.05,-2\n+00011cc0: 3431 2e39 3522 2f3e 0a3c 2f67 3e0a 3c21  41.95\"/>.</g>.<!\n+00011cd0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00011ce0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n+00011cf0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n+00011d00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011d10: 735f 6d64 7275 6e75 7469 6c69 7479 202d  s_mdrunutility -\n+00011d20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3131  ->.<g id=\"edge11\n+00011d30: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+00011d40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00011d50: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+00011d60: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+00011d70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00011d80: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00011d90: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n+00011da0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00011db0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00011dc0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00011dd0: 2235 2c32 2220 643d 224d 3738 352e 3536  \"5,2\" d=\"M785.56\n+00011de0: 2c2d 3534 352e 3739 4338 3036 2e38 312c  ,-545.79C806.81,\n+00011df0: 2d35 3636 2e36 3920 3834 372e 3932 2c2d  -566.69 847.92,-\n+00011e00: 3630 362e 3835 2038 3532 2c2d 3630 382e  606.85 852,-608.\n+00011e10: 3720 3933 352e 3233 2c2d 3634 362e 3439  7 935.23,-646.49\n+00011e20: 2031 3230 362e 3037 2c2d 3635 342e 3820   1206.07,-654.8 \n+00011e30: 3133 3235 2e35 322c 2d36 3536 2e36 3222  1325.52,-656.62\"\n+00011e40: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00011e50: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00011e60: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00011e70: 7473 3d22 3133 3235 2e35 322c 2d36 3630  ts=\"1325.52,-660\n+00011e80: 2e31 3220 3133 3335 2e35 372c 2d36 3536  .12 1335.57,-656\n+00011e90: 2e37 3720 3133 3235 2e36 322c 2d36 3533  .77 1325.62,-653\n+00011ea0: 2e31 3320 3133 3235 2e35 322c 2d36 3630  .13 1325.52,-660\n+00011eb0: 2e31 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .12\"/>.</g>.<!--\n+00011ec0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00011ed0: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+00011ee0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+00011ef0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011f00: 6d64 7275 6e20 2d2d 3e0a 3c67 2069 643d  mdrun -->.<g id=\n+00011f10: 2265 6467 6531 3134 2220 636c 6173 733d  \"edge114\" class=\n+00011f20: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00011f30: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011f40: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n+00011f50: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n+00011f60: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00011f70: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174  run</title>.<pat\n+00011f80: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00011f90: 726f 6b65 3d22 7265 6422 2064 3d22 4d38  roke=\"red\" d=\"M8\n+00011fa0: 3237 2e35 312c 2d35 3339 2e37 3543 3932  27.51,-539.75C92\n+00011fb0: 352e 3539 2c2d 3535 312e 3734 2031 3132  5.59,-551.74 112\n+00011fc0: 392e 3233 2c2d 3537 372e 3532 2031 3231  9.23,-577.52 121\n+00011fd0: 342e 3835 2c2d 3538 382e 3822 2f3e 0a3c  4.85,-588.8\"/>.<\n+00011fe0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00011ff0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00012000: 706f 696e 7473 3d22 3132 3134 2e35 362c  points=\"1214.56,\n+00012010: 2d35 3932 2e32 3920 3132 3234 2e39 332c  -592.29 1224.93,\n+00012020: 2d35 3930 2e31 3320 3132 3135 2e34 382c  -590.13 1215.48,\n+00012030: 2d35 3835 2e33 3520 3132 3134 2e35 362c  -585.35 1214.56,\n+00012040: 2d35 3932 2e32 3922 2f3e 0a3c 2f67 3e0a  -592.29\"/>.</g>.\n+00012050: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00012060: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+00012070: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+00012080: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00012090: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+000120a0: 6e74 202d 2d3e 0a3c 6720 6964 3d22 6564  nt -->.<g id=\"ed\n+000120b0: 6765 3132 3722 2063 6c61 7373 3d22 6564  ge127\" class=\"ed\n+000120c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000120d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000120e0: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+000120f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00012100: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+00012110: 7373 6967 6e6d 656e 743c 2f74 6974 6c65  ssignment</title\n+00012120: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00012130: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00012140: 2064 3d22 4d37 3335 2e37 362c 2d35 3231   d=\"M735.76,-521\n+00012150: 2e32 3843 3639 372e 3134 2c2d 3531 302e  .28C697.14,-510.\n+00012160: 3738 2036 3336 2e37 312c 2d34 3934 2e33  78 636.71,-494.3\n+00012170: 3620 3539 352e 312c 2d34 3833 2e30 3522  6 595.1,-483.05\"\n+00012180: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00012190: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+000121a0: 6564 2220 706f 696e 7473 3d22 3539 352e  ed\" points=\"595.\n+000121b0: 3738 2c2d 3437 392e 3631 2035 3835 2e32  78,-479.61 585.2\n+000121c0: 322c 2d34 3830 2e33 3720 3539 332e 3935  2,-480.37 593.95\n+000121d0: 2c2d 3438 362e 3337 2035 3935 2e37 382c  ,-486.37 595.78,\n+000121e0: 2d34 3739 2e36 3122 2f3e 0a3c 2f67 3e0a  -479.61\"/>.</g>.\n+000121f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00012200: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+00012210: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+00012220: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00012230: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n+00012240: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+00012250: 6531 3235 2220 636c 6173 733d 2265 6467  e125\" class=\"edg\n+00012260: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00012270: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n+00012280: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n+00012290: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000122a0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+000122b0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n+000122c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000122d0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+000122e0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+000122f0: 7261 793d 2235 2c32 2220 643d 224d 3737  ray=\"5,2\" d=\"M77\n+00012300: 392e 3237 2c2d 3531 382e 3734 4337 3839  9.27,-518.74C789\n+00012310: 2e35 382c 2d34 3936 2e37 3320 3830 392c  .58,-496.73 809,\n+00012320: 2d34 3439 2e37 3220 3830 392c 2d34 3037  -449.72 809,-407\n+00012330: 2e36 3620 3830 392c 2d34 3037 2e36 3620  .66 809,-407.66 \n+00012340: 3830 392c 2d34 3037 2e36 3620 3830 392c  809,-407.66 809,\n+00012350: 2d33 3432 2e37 3920 3830 392c 2d33 3039  -342.79 809,-309\n+00012360: 2e30 3220 3832 322e 3034 2c2d 3239 322e  .02 822.04,-292.\n+00012370: 3136 2037 3939 2c2d 3236 372e 3438 2037  16 799,-267.48 7\n+00012380: 3333 2e31 352c 2d31 3936 2e39 3420 3433  33.15,-196.94 43\n+00012390: 382e 3732 2c2d 3136 382e 3739 2033 3131  8.72,-168.79 311\n+000123a0: 2e32 2c2d 3135 392e 3737 222f 3e0a 3c70  .2,-159.77\"/>.<p\n+000123b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+000123c0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+000123d0: 3832 6663 6322 2070 6f69 6e74 733d 2233  82fcc\" points=\"3\n+000123e0: 3131 2e30 372c 2d31 3536 2e32 3520 3330  11.07,-156.25 30\n+000123f0: 302e 3835 2c2d 3135 392e 3035 2033 3130  0.85,-159.05 310\n+00012400: 2e35 382c 2d31 3633 2e32 3320 3331 312e  .58,-163.23 311.\n+00012410: 3037 2c2d 3135 362e 3235 222f 3e0a 3c2f  07,-156.25\"/>.</\n+00012420: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00012430: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+00012440: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+00012450: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00012460: 726f 6d61 6373 5f70 756c 6c69 6e67 202d  romacs_pulling -\n+00012470: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132  ->.<g id=\"edge12\n+00012480: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n+00012490: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000124a0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+000124b0: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+000124c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000124d0: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f  romacs_pulling</\n+000124e0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000124f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00012500: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00012510: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00012520: 2064 3d22 4d38 3232 2e39 2c2d 3532 332e   d=\"M822.9,-523.\n+00012530: 3539 4338 3736 2e31 382c 2d35 3134 2e39  59C876.18,-514.9\n+00012540: 3420 3936 322e 3937 2c2d 3439 392e 3935  4 962.97,-499.95\n+00012550: 2031 3033 372c 2d34 3832 2e39 3620 3130   1037,-482.96 10\n+00012560: 3430 2e34 322c 2d34 3832 2e31 3820 3130  40.42,-482.18 10\n+00012570: 3433 2e39 372c 2d34 3831 2e33 2031 3034  43.97,-481.3 104\n+00012580: 372e 3531 2c2d 3438 302e 3339 222f 3e0a  7.51,-480.39\"/>.\n+00012590: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+000125a0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+000125b0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+000125c0: 2231 3034 382e 3539 2c2d 3438 332e 3732  \"1048.59,-483.72\n+000125d0: 2031 3035 372e 3334 2c2d 3437 372e 3736   1057.34,-477.76\n+000125e0: 2031 3034 362e 3738 2c2d 3437 362e 3936   1046.78,-476.96\n+000125f0: 2031 3034 382e 3539 2c2d 3438 332e 3732   1048.59,-483.72\n+00012600: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00012610: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00012620: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+00012630: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+00012640: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n+00012650: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265  pat -->.<g id=\"e\n+00012660: 6467 6531 3232 2220 636c 6173 733d 2265  dge122\" class=\"e\n+00012670: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00012680: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012690: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+000126a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000126b0: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+000126c0: 6174 3c2f 7469 746c 653e 0a3c 7061 7468  at</title>.<path\n+000126d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+000126e0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+000126f0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00012700: 352c 3222 2064 3d22 4d38 3334 2e33 392c  5,2\" d=\"M834.39,\n+00012710: 2d35 3237 2e37 3743 3935 332e 3838 2c2d  -527.77C953.88,-\n+00012720: 3531 392e 3239 2031 3232 342e 3835 2c2d  519.29 1224.85,-\n+00012730: 3439 332e 3032 2031 3434 302c 2d34 3230  493.02 1440,-420\n+00012740: 2e30 3920 3135 3337 2e39 312c 2d33 3836  .09 1537.91,-386\n+00012750: 2e39 2031 3634 352e 3333 2c2d 3332 362e  .9 1645.33,-326.\n+00012760: 3438 2031 3639 332e 3736 2c2d 3239 372e  48 1693.76,-297.\n+00012770: 3832 222f 3e0a 3c70 6f6c 7967 6f6e 2066  82\"/>.<polygon f\n+00012780: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00012790: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+000127a0: 6f69 6e74 733d 2231 3639 352e 3537 2c2d  oints=\"1695.57,-\n+000127b0: 3330 302e 3831 2031 3730 322e 3337 2c2d  300.81 1702.37,-\n+000127c0: 3239 322e 3639 2031 3639 312e 3938 2c2d  292.69 1691.98,-\n+000127d0: 3239 342e 3820 3136 3935 2e35 372c 2d33  294.8 1695.57,-3\n+000127e0: 3030 2e38 3122 2f3e 0a3c 2f67 3e0a 3c21  00.81\"/>.</g>.<!\n+000127f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00012800: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n+00012810: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n+00012820: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00012830: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069  s_mdlib -->.<g i\n+00012840: 643d 2265 6467 6531 3135 2220 636c 6173  d=\"edge115\" clas\n+00012850: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00012860: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00012870: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+00012880: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+00012890: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000128a0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+000128b0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+000128c0: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+000128d0: 4d38 3034 2e34 392c 2d35 3230 2e36 3143  M804.49,-520.61C\n+000128e0: 3837 342e 3233 2c2d 3439 362e 3832 2031  874.23,-496.82 1\n+000128f0: 3034 372e 3037 2c2d 3433 382e 3337 2031  047.07,-438.37 1\n+00012900: 3139 332c 2d33 3933 2e32 3220 3132 3339  193,-393.22 1239\n+00012910: 2e31 332c 2d33 3738 2e39 3520 3132 3932  .13,-378.95 1292\n+00012920: 2e38 312c 2d33 3633 2e36 2031 3332 362e  .81,-363.6 1326.\n+00012930: 362c 2d33 3534 2e31 222f 3e0a 3c70 6f6c  6,-354.1\"/>.<pol\n+00012940: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+00012950: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+00012960: 6e74 733d 2231 3332 372e 3733 2c2d 3335  nts=\"1327.73,-35\n+00012970: 372e 3431 2031 3333 362e 3431 2c2d 3335  7.41 1336.41,-35\n+00012980: 312e 3334 2031 3332 352e 3834 2c2d 3335  1.34 1325.84,-35\n+00012990: 302e 3637 2031 3332 372e 3733 2c2d 3335  0.67 1327.73,-35\n+000129a0: 372e 3431 222f 3e0a 3c2f 673e 0a3c 212d  7.41\"/>.</g>.<!-\n+000129b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000129c0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+000129d0: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n+000129e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000129f0: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e  _commandline -->\n+00012a00: 0a3c 6720 6964 3d22 6564 6765 3132 3122  .<g id=\"edge121\"\n+00012a10: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00012a20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00012a30: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+00012a40: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+00012a50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00012a60: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n+00012a70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00012a80: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00012a90: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n+00012aa0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00012ab0: 2064 3d22 4d37 3737 2e30 372c 2d35 3435   d=\"M777.07,-545\n+00012ac0: 2e38 3943 3738 332e 3932 2c2d 3536 382e  .89C783.92,-568.\n+00012ad0: 3034 2037 3937 2c2d 3631 352e 3738 2037  04 797,-615.78 7\n+00012ae0: 3937 2c2d 3635 372e 3134 2037 3937 2c2d  97,-657.14 797,-\n+00012af0: 3732 322e 3031 2037 3937 2c2d 3732 322e  722.01 797,-722.\n+00012b00: 3031 2037 3937 2c2d 3732 322e 3031 2037  01 797,-722.01 7\n+00012b10: 3937 2c2d 3830 362e 3638 2038 3839 2e36  97,-806.68 889.6\n+00012b20: 342c 2d37 3737 2e36 3620 3937 322c 2d37  4,-777.66 972,-7\n+00012b30: 3937 2e33 3120 3132 3232 2e37 392c 2d38  97.31 1222.79,-8\n+00012b40: 3537 2e31 3520 3132 3934 2e30 342c 2d38  57.15 1294.04,-8\n+00012b50: 3132 2e31 3320 3135 3531 2c2d 3833 332e  12.13 1551,-833.\n+00012b60: 3331 2031 3537 322e 3037 2c2d 3833 352e  31 1572.07,-835.\n+00012b70: 3035 2031 3539 352e 3135 2c2d 3833 372e  05 1595.15,-837.\n+00012b80: 3333 2031 3631 352e 3437 2c2d 3833 392e  33 1615.47,-839.\n+00012b90: 3436 222f 3e0a 3c70 6f6c 7967 6f6e 2066  46\"/>.<polygon f\n+00012ba0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+00012bb0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+00012bc0: 733d 2231 3631 352e 3139 2c2d 3834 322e  s=\"1615.19,-842.\n+00012bd0: 3935 2031 3632 352e 352c 2d38 3430 2e35  95 1625.5,-840.5\n+00012be0: 3220 3136 3135 2e39 322c 2d38 3335 2e39  2 1615.92,-835.9\n+00012bf0: 3920 3136 3135 2e31 392c 2d38 3432 2e39  9 1615.19,-842.9\n+00012c00: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+00012c10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00012c20: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n+00012c30: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n+00012c40: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n+00012c50: 6e78 6d20 2d2d 3e0a 3c67 2069 643d 2265  nxm -->.<g id=\"e\n+00012c60: 6467 6531 3230 2220 636c 6173 733d 2265  dge120\" class=\"e\n+00012c70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00012c80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012c90: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+00012ca0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00012cb0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+00012cc0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820  m</title>.<path \n+00012cd0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00012ce0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+00012cf0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00012d00: 2c32 2220 643d 224d 3736 362e 3734 2c2d  ,2\" d=\"M766.74,-\n+00012d10: 3534 362e 3039 4337 3336 2e36 332c 2d36  546.09C736.63,-6\n+00012d20: 3037 2e31 3520 3630 362e 3532 2c2d 3837  07.15 606.52,-87\n+00012d30: 312e 3035 2035 3637 2e38 372c 2d39 3439  1.05 567.87,-949\n+00012d40: 2e34 3422 2f3e 0a3c 706f 6c79 676f 6e20  .44\"/>.<polygon \n+00012d50: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00012d60: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00012d70: 706f 696e 7473 3d22 3536 342e 3531 2c2d  points=\"564.51,-\n+00012d80: 3934 382e 3333 2035 3633 2e32 332c 2d39  948.33 563.23,-9\n+00012d90: 3538 2e38 3520 3537 302e 3739 2c2d 3935  58.85 570.79,-95\n+00012da0: 312e 3433 2035 3634 2e35 312c 2d39 3438  1.43 564.51,-948\n+00012db0: 2e33 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .33\"/>.</g>.<!--\n+00012dc0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00012dd0: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+00012de0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+00012df0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012e00: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964  fileio -->.<g id\n+00012e10: 3d22 6564 6765 3132 3322 2063 6c61 7373  =\"edge123\" class\n+00012e20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00012e30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00012e40: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+00012e50: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n+00012e60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00012e70: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n+00012e80: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00012e90: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00012ea0: 2064 3d22 4d37 3836 2e31 322c 2d35 3435   d=\"M786.12,-545\n+00012eb0: 2e37 3143 3739 372e 3638 2c2d 3536 312e  .71C797.68,-561.\n+00012ec0: 3132 2038 3133 2e39 332c 2d35 3838 2038  12 813.93,-588 8\n+00012ed0: 3331 2c2d 3630 382e 3720 3838 322e 3133  31,-608.7 882.13\n+00012ee0: 2c2d 3637 302e 3732 2038 3838 2e32 382c  ,-670.72 888.28,\n+00012ef0: 2d37 3030 2e31 3820 3936 312c 2d37 3334  -700.18 961,-734\n+00012f00: 2e34 3420 3130 3239 2e34 372c 2d37 3636  .44 1029.47,-766\n+00012f10: 2e37 2031 3235 362e 322c 2d37 3738 2e31  .7 1256.2,-778.1\n+00012f20: 3620 3133 3436 2e30 342c 2d37 3831 2e36  6 1346.04,-781.6\n+00012f30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00012f40: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00012f50: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+00012f60: 6e74 733d 2231 3334 352e 3933 2c2d 3738  nts=\"1345.93,-78\n+00012f70: 352e 3120 3133 3536 2e30 352c 2d37 3831  5.1 1356.05,-781\n+00012f80: 2e39 3720 3133 3436 2e31 392c 2d37 3738  .97 1346.19,-778\n+00012f90: 2e31 2031 3334 352e 3933 2c2d 3738 352e  .1 1345.93,-785.\n+00012fa0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+00012fb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00012fc0: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n+00012fd0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n+00012fe0: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n+00012ff0: 616c 6420 2d2d 3e0a 3c67 2069 643d 2265  ald -->.<g id=\"e\n+00013000: 6467 6531 3139 2220 636c 6173 733d 2265  dge119\" class=\"e\n+00013010: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00013020: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00013030: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+00013040: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00013050: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n+00013060: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n+00013070: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00013080: 6b65 3d22 7265 6422 2064 3d22 4d37 3634  ke=\"red\" d=\"M764\n+00013090: 2e33 332c 2d35 3138 2e36 3243 3734 392e  .33,-518.62C749.\n+000130a0: 3738 2c2d 3439 372e 3139 2037 3230 2e33  78,-497.19 720.3\n+000130b0: 342c 2d34 3533 2e38 3220 3730 322e 3838  4,-453.82 702.88\n+000130c0: 2c2d 3432 382e 3131 222f 3e0a 3c70 6f6c  ,-428.11\"/>.<pol\n+000130d0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+000130e0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+000130f0: 6e74 733d 2237 3035 2e37 372c 2d34 3236  nts=\"705.77,-426\n+00013100: 2e31 3220 3639 372e 3235 2c2d 3431 392e  .12 697.25,-419.\n+00013110: 3831 2036 3939 2e39 372c 2d34 3330 2e30  81 699.97,-430.0\n+00013120: 3520 3730 352e 3737 2c2d 3432 362e 3132  5 705.77,-426.12\n+00013130: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00013140: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013150: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+00013160: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+00013170: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n+00013180: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265  dom -->.<g id=\"e\n+00013190: 6467 6531 3239 2220 636c 6173 733d 2265  dge129\" class=\"e\n+000131a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000131b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000131c0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+000131d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000131e0: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n+000131f0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468  om</title>.<path\n+00013200: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00013210: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n+00013220: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00013230: 3222 2064 3d22 4d37 3734 2e37 342c 2d35  2\" d=\"M774.74,-5\n+00013240: 3138 2e35 3443 3737 382e 3734 2c2d 3438  18.54C778.74,-48\n+00013250: 362e 3434 2037 3837 2e32 332c 2d34 3030  6.44 787.23,-400\n+00013260: 2e33 3120 3737 342c 2d33 3330 2e33 3520  .31 774,-330.35 \n+00013270: 3737 322e 3238 2c2d 3332 312e 3236 2037  772.28,-321.26 7\n+00013280: 3638 2e39 2c2d 3331 312e 3720 3736 352e  68.9,-311.7 765.\n+00013290: 3436 2c2d 3330 332e 3439 222f 3e0a 3c70  46,-303.49\"/>.<p\n+000132a0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n+000132b0: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n+000132c0: 6b22 2070 6f69 6e74 733d 2237 3638 2e36  k\" points=\"768.6\n+000132d0: 322c 2d33 3031 2e39 3820 3736 312e 3334  2,-301.98 761.34\n+000132e0: 2c2d 3239 342e 3238 2037 3632 2e32 322c  ,-294.28 762.22,\n+000132f0: 2d33 3034 2e38 3320 3736 382e 3632 2c2d  -304.83 768.62,-\n+00013300: 3330 312e 3938 222f 3e0a 3c2f 673e 0a3c  301.98\"/>.</g>.<\n+00013310: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00013320: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+00013330: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00013340: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00013350: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00013360: 3332 2220 636c 6173 733d 2265 6467 6522  32\" class=\"edge\"\n+00013370: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00013380: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00013390: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000133a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000133b0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+000133c0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000133d0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n+000133e0: 3133 3633 2e38 352c 2d33 3537 2e31 3443  1363.85,-357.14C\n+000133f0: 3133 3634 2e31 362c 2d33 3732 2e35 3820  1364.16,-372.58 \n+00013400: 3133 3631 2e39 352c 2d33 3939 2e35 2031  1361.95,-399.5 1\n+00013410: 3337 312c 2d34 3230 2e30 3920 3133 3737  371,-420.09 1377\n+00013420: 2e36 342c 2d34 3335 2e32 2031 3739 312e  .64,-435.2 1791.\n+00013430: 3536 2c2d 3831 382e 3131 2031 3739 382c  56,-818.11 1798,\n+00013440: 2d38 3333 2e33 3120 3138 3133 2e36 332c  -833.31 1813.63,\n+00013450: 2d38 3730 2e31 3820 3138 3137 2e36 322c  -870.18 1817.62,\n+00013460: 2d38 3934 2e30 3620 3137 3930 2c2d 3932  -894.06 1790,-92\n+00013470: 332e 3035 2031 3536 382e 3938 2c2d 3131  3.05 1568.98,-11\n+00013480: 3535 2e31 3120 3133 3935 2e37 2c2d 3939  55.11 1395.7,-99\n+00013490: 332e 3732 2031 3038 302c 2d31 3034 382e  3.72 1080,-1048.\n+000134a0: 3739 2039 3933 2e31 362c 2d31 3036 332e  79 993.16,-1063.\n+000134b0: 3934 2038 3931 2e32 312c 2d31 3038 312e  94 891.21,-1081.\n+000134c0: 3336 2038 3333 2e38 332c 2d31 3039 302e  36 833.83,-1090.\n+000134d0: 3632 222f 3e0a 3c70 6f6c 7967 6f6e 2066  62\"/>.<polygon f\n+000134e0: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+000134f0: 3d22 7265 6422 2070 6f69 6e74 733d 2238  =\"red\" points=\"8\n+00013500: 3332 2e39 362c 2d31 3038 372e 3232 2038  32.96,-1087.22 8\n+00013510: 3233 2e36 352c 2d31 3039 322e 3236 2038  23.65,-1092.26 8\n+00013520: 3334 2e30 372c 2d31 3039 342e 3133 2038  34.07,-1094.13 8\n+00013530: 3332 2e39 362c 2d31 3038 372e 3232 222f  32.96,-1087.22\"/\n+00013540: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00013550: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00013560: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00013570: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00013580: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n+00013590: 3d22 6564 6765 3133 3022 2063 6c61 7373  =\"edge130\" class\n+000135a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+000135b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000135c0: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n+000135d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000135e0: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+000135f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00013600: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00013610: 6266 6266 2220 643d 224d 3133 3438 2e36  bfbf\" d=\"M1348.6\n+00013620: 312c 2d33 3536 2e31 3443 3133 3337 2e38  1,-356.14C1337.8\n+00013630: 2c2d 3336 342e 3634 2031 3332 322e 3934  ,-364.64 1322.94\n+00013640: 2c2d 3337 372e 3438 2031 3331 362c 2d33  ,-377.48 1316,-3\n+00013650: 3933 2e32 3220 3133 3131 2e31 382c 2d34  93.22 1311.18,-4\n+00013660: 3034 2e31 3520 3133 3134 2e31 372c 2d34  04.15 1314.17,-4\n+00013670: 3038 2e32 3920 3133 3136 2c2d 3432 302e  08.29 1316,-420.\n+00013680: 3039 2031 3332 302e 352c 2d34 3439 2e30  09 1320.5,-449.0\n+00013690: 3720 3133 3236 2e32 342c 2d34 3535 2e33  7 1326.24,-455.3\n+000136a0: 3120 3133 3336 2c2d 3438 322e 3936 2031  1 1336,-482.96 1\n+000136b0: 3334 312e 3732 2c2d 3439 392e 3135 2031  341.72,-499.15 1\n+000136c0: 3334 362e 3833 2c2d 3530 322e 3039 2031  346.83,-502.09 1\n+000136d0: 3335 302c 2d35 3138 2e39 3620 3133 3532  350,-518.96 1352\n+000136e0: 2e32 2c2d 3533 302e 3720 3133 3533 2e37  .2,-530.7 1353.7\n+000136f0: 372c 2d35 3334 2e35 2031 3335 302c 2d35  7,-534.5 1350,-5\n+00013700: 3435 2e38 3320 3133 3338 2e39 392c 2d35  45.83 1338.99,-5\n+00013710: 3738 2e39 3420 3133 3237 2e36 362c 2d35  78.94 1327.66,-5\n+00013720: 3834 2e30 3220 3133 3033 2c2d 3630 382e  84.02 1303,-608.\n+00013730: 3720 3132 3034 2e31 312c 2d37 3037 2e36  7 1204.11,-707.6\n+00013740: 3520 3131 3734 2e36 372c 2d37 3331 2e39  5 1174.67,-731.9\n+00013750: 3220 3130 3531 2c2d 3739 372e 3331 2031  2 1051,-797.31 1\n+00013760: 3030 372e 3339 2c2d 3832 302e 3337 2039  007.39,-820.37 9\n+00013770: 3837 2e38 392c 2d38 3037 2e32 3520 3934  87.89,-807.25 94\n+00013780: 362c 2d38 3333 2e33 3120 3933 312e 3633  6,-833.31 931.63\n+00013790: 2c2d 3834 322e 3236 2039 3332 2e32 382c  ,-842.26 932.28,\n+000137a0: 2d38 3439 2e36 3820 3931 392c 2d38 3630  -849.68 919,-860\n+000137b0: 2e31 3820 3930 322e 3032 2c2d 3837 332e  .18 902.02,-873.\n+000137c0: 3632 2038 3831 2e31 2c2d 3838 362e 3433  62 881.1,-886.43\n+000137d0: 2038 3633 2e38 352c 2d38 3935 2e35 222f   863.85,-895.5\"/\n+000137e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+000137f0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00013800: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00013810: 733d 2238 3632 2e30 342c 2d38 3932 2e35  s=\"862.04,-892.5\n+00013820: 2038 3534 2e37 2c2d 3930 302e 3133 2038   854.7,-900.13 8\n+00013830: 3635 2e32 2c2d 3839 382e 3734 2038 3632  65.2,-898.74 862\n+00013840: 2e30 342c 2d38 3932 2e35 222f 3e0a 3c2f  .04,-892.5\"/>.</\n+00013850: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00013860: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00013870: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00013880: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00013890: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+000138a0: 2265 6467 6531 3333 2220 636c 6173 733d  \"edge133\" class=\n+000138b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+000138c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000138d0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+000138e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000138f0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n+00013900: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00013910: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+00013920: 6564 2220 643d 224d 3133 3838 2e34 382c  ed\" d=\"M1388.48,\n+00013930: 2d33 3434 2e39 3243 3134 3238 2e30 332c  -344.92C1428.03,\n+00013940: 2d33 3436 2e35 3920 3134 3939 2e38 322c  -346.59 1499.82,\n+00013950: 2d33 3535 2e31 3220 3135 3435 2c2d 3339  -355.12 1545,-39\n+00013960: 332e 3232 2031 3539 332e 3939 2c2d 3433  3.22 1593.99,-43\n+00013970: 342e 3534 2031 3831 352e 3334 2c2d 3837  4.54 1815.34,-87\n+00013980: 342e 3934 2031 3737 332c 2d39 3233 2e30  4.94 1773,-923.0\n+00013990: 3520 3137 3138 2e33 322c 2d39 3835 2e31  5 1718.32,-985.1\n+000139a0: 3920 3131 3238 2e33 322c 2d31 3032 322e  9 1128.32,-1022.\n+000139b0: 3133 2039 3532 2e39 312c 2d31 3033 312e  13 952.91,-1031.\n+000139c0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+000139d0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n+000139e0: 2272 6564 2220 706f 696e 7473 3d22 3935  \"red\" points=\"95\n+000139f0: 322e 3438 2c2d 3130 3238 2e33 3220 3934  2.48,-1028.32 94\n+00013a00: 322e 3639 2c2d 3130 3332 2e33 3620 3935  2.69,-1032.36 95\n+00013a10: 322e 3837 2c2d 3130 3335 2e33 2039 3532  2.87,-1035.3 952\n+00013a20: 2e34 382c 2d31 3032 382e 3332 222f 3e0a  .48,-1028.32\"/>.\n+00013a30: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00013a40: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00013a50: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+00013a60: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00013a70: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+00013a80: 6564 6765 3133 3422 2063 6c61 7373 3d22  edge134\" class=\"\n+00013a90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00013aa0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013ab0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00013ac0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00013ad0: 735f 646f 6d64 6563 3c2f 7469 746c 653e  s_domdec</title>\n+00013ae0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00013af0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n+00013b00: 643d 224d 3133 3431 2e37 342c 2d33 3333  d=\"M1341.74,-333\n+00013b10: 2e31 3543 3133 3132 2e34 392c 2d33 3134  .15C1312.49,-314\n+00013b20: 2e38 2031 3235 372e 3537 2c2d 3237 352e  .8 1257.57,-275.\n+00013b30: 3839 2031 3233 362c 2d32 3637 2e34 3820  89 1236,-267.48 \n+00013b40: 3131 3535 2e37 332c 2d32 3336 2e31 3820  1155.73,-236.18 \n+00013b50: 3130 3535 2e34 322c 2d32 3235 2e31 3120  1055.42,-225.11 \n+00013b60: 3939 372e 3933 2c2d 3232 312e 3139 222f  997.93,-221.19\"/\n+00013b70: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00013b80: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+00013b90: 6422 2070 6f69 6e74 733d 2239 3937 2e39  d\" points=\"997.9\n+00013ba0: 312c 2d32 3137 2e36 3820 3938 372e 372c  1,-217.68 987.7,\n+00013bb0: 2d32 3230 2e35 3420 3939 372e 3436 2c2d  -220.54 997.46,-\n+00013bc0: 3232 342e 3637 2039 3937 2e39 312c 2d32  224.67 997.91,-2\n+00013bd0: 3137 2e36 3822 2f3e 0a3c 2f67 3e0a 3c21  17.68\"/>.</g>.<!\n+00013be0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00013bf0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00013c00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00013c10: 726f 6d61 6373 5f65 7373 656e 7469 616c  romacs_essential\n+00013c20: 6479 6e61 6d69 6373 202d 2d3e 0a3c 6720  dynamics -->.<g \n+00013c30: 6964 3d22 6564 6765 3134 3522 2063 6c61  id=\"edge145\" cla\n+00013c40: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00013c50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00013c60: 6d61 6373 5f6d 646c 6962 2623 3435 3b26  macs_mdlib&#45;&\n+00013c70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00013c80: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n+00013c90: 796e 616d 6963 733c 2f74 6974 6c65 3e0a  ynamics</title>.\n+00013ca0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00013cb0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00013cc0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00013cd0: 7261 793d 2235 2c32 2220 643d 224d 3133  ray=\"5,2\" d=\"M13\n+00013ce0: 3334 2e34 382c 2d33 3337 2e39 3143 3132  34.48,-337.91C12\n+00013cf0: 3839 2e37 382c 2d33 3238 2e35 3420 3131  89.78,-328.54 11\n+00013d00: 3937 2e31 2c2d 3330 372e 3737 2031 3133  97.1,-307.77 113\n+00013d10: 392e 352c 2d32 3934 2e33 3322 2f3e 0a3c  9.5,-294.33\"/>.<\n+00013d20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00013d30: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00013d40: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00013d50: 3131 3430 2e30 362c 2d32 3930 2e38 3720  1140.06,-290.87 \n+00013d60: 3131 3239 2e35 332c 2d32 3931 2e39 3920  1129.53,-291.99 \n+00013d70: 3131 3338 2e34 372c 2d32 3937 2e36 3820  1138.47,-297.68 \n+00013d80: 3131 3430 2e30 362c 2d32 3930 2e38 3722  1140.06,-290.87\"\n+00013d90: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00013da0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00013db0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+00013dc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013dd0: 5f69 6d64 202d 2d3e 0a3c 6720 6964 3d22  _imd -->.<g id=\"\n+00013de0: 6564 6765 3134 3822 2063 6c61 7373 3d22  edge148\" class=\"\n+00013df0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00013e00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013e10: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00013e20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00013e30: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70  s_imd</title>.<p\n+00013e40: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00013e50: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00013e60: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00013e70: 793d 2235 2c32 2220 643d 224d 3133 3630  y=\"5,2\" d=\"M1360\n+00013e80: 2e36 392c 2d33 3330 2e31 3843 3133 3634  .69,-330.18C1364\n+00013e90: 2e38 362c 2d33 3230 2e37 3120 3133 3732  .86,-320.71 1372\n+00013ea0: 2e31 332c 2d33 3037 2e32 3220 3133 3736  .13,-307.22 1376\n+00013eb0: 2c2d 3239 342e 3335 2031 3338 372e 3836  ,-294.35 1387.86\n+00013ec0: 2c2d 3235 342e 3935 2031 3339 302e 3537  ,-254.95 1390.57\n+00013ed0: 2c2d 3230 362e 3734 2031 3339 332e 3732  ,-206.74 1393.72\n+00013ee0: 2c2d 3137 382e 3933 222f 3e0a 3c70 6f6c  ,-178.93\"/>.<pol\n+00013ef0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00013f00: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00013f10: 6663 6322 2070 6f69 6e74 733d 2231 3339  fcc\" points=\"139\n+00013f20: 372e 3234 2c2d 3137 392e 3035 2031 3339  7.24,-179.05 139\n+00013f30: 352e 3038 2c2d 3136 382e 3638 2031 3339  5.08,-168.68 139\n+00013f40: 302e 332c 2d31 3738 2e31 3320 3133 3937  0.3,-178.13 1397\n+00013f50: 2e32 342c 2d31 3739 2e30 3522 2f3e 0a3c  .24,-179.05\"/>.<\n+00013f60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00013f70: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00013f80: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+00013f90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+00013fa0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67  unutility -->.<g\n+00013fb0: 2069 643d 2265 6467 6531 3331 2220 636c   id=\"edge131\" cl\n+00013fc0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00013fd0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00013fe0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00013ff0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00014000: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00014010: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n+00014020: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00014030: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00014040: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00014050: 2235 2c32 2220 643d 224d 3133 3834 2e34  \"5,2\" d=\"M1384.4\n+00014060: 312c 2d33 3530 2e39 3243 3134 3035 2e31  1,-350.92C1405.1\n+00014070: 342c 2d33 3537 2e35 3720 3134 3333 2e36  4,-357.57 1433.6\n+00014080: 2c2d 3337 302e 3432 2031 3434 372c 2d33  ,-370.42 1447,-3\n+00014090: 3933 2e32 3220 3134 3934 2e38 322c 2d34  93.22 1494.82,-4\n+000140a0: 3734 2e35 3720 3134 3238 2e37 342c 2d35  74.57 1428.74,-5\n+000140b0: 3930 2e30 3520 3133 3937 2e36 332c 2d36  90.05 1397.63,-6\n+000140c0: 3336 2e35 3522 2f3e 0a3c 706f 6c79 676f  36.55\"/>.<polygo\n+000140d0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+000140e0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+000140f0: 2220 706f 696e 7473 3d22 3133 3934 2e36  \" points=\"1394.6\n+00014100: 382c 2d36 3334 2e36 3720 3133 3931 2e39  8,-634.67 1391.9\n+00014110: 322c 2d36 3434 2e39 2031 3430 302e 3436  2,-644.9 1400.46\n+00014120: 2c2d 3633 382e 3633 2031 3339 342e 3638  ,-638.63 1394.68\n+00014130: 2c2d 3633 342e 3637 222f 3e0a 3c2f 673e  ,-634.67\"/>.</g>\n+00014140: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00014150: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n+00014160: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00014170: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+00014180: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069  _forces -->.<g i\n+00014190: 643d 2265 6467 6531 3433 2220 636c 6173  d=\"edge143\" clas\n+000141a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000141b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000141c0: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n+000141d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000141e0: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+000141f0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+00014200: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00014210: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00014220: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00014230: 352c 3222 2064 3d22 4d31 3335 322e 392c  5,2\" d=\"M1352.9,\n+00014240: 2d33 3330 2e34 3243 3133 3432 2e32 322c  -330.42C1342.22,\n+00014250: 2d33 3032 2e32 3920 3133 3232 2e35 312c  -302.29 1322.51,\n+00014260: 2d32 3333 2e37 3120 3132 3736 2c2d 3230  -233.71 1276,-20\n+00014270: 342e 3631 2031 3139 392e 3732 2c2d 3135  4.61 1199.72,-15\n+00014280: 362e 3839 2035 3536 2e38 372c 2d31 3733  6.89 556.87,-173\n+00014290: 2e31 2034 3637 2c2d 3136 382e 3631 2034  .1 467,-168.61 4\n+000142a0: 3133 2e38 382c 2d31 3635 2e39 3520 3335  13.88,-165.95 35\n+000142b0: 332e 372c 2d31 3632 2e35 3920 3331 302e  3.7,-162.59 310.\n+000142c0: 3436 2c2d 3136 302e 3034 222f 3e0a 3c70  46,-160.04\"/>.<p\n+000142d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+000142e0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+000142f0: 3832 6663 6322 2070 6f69 6e74 733d 2233  82fcc\" points=\"3\n+00014300: 3130 2e36 2c2d 3135 362e 3534 2033 3030  10.6,-156.54 300\n+00014310: 2e34 312c 2d31 3539 2e34 3420 3331 302e  .41,-159.44 310.\n+00014320: 3138 2c2d 3136 332e 3532 2033 3130 2e36  18,-163.52 310.6\n+00014330: 2c2d 3135 362e 3534 222f 3e0a 3c2f 673e  ,-156.54\"/>.</g>\n+00014340: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00014350: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n+00014360: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00014370: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n+00014380: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00014390: 3134 3622 2063 6c61 7373 3d22 6564 6765  146\" class=\"edge\n+000143a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000143b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+000143c0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+000143d0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+000143e0: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061  mpat</title>.<pa\n+000143f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00014400: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00014410: 643d 224d 3133 3836 2e31 382c 2d33 3338  d=\"M1386.18,-338\n+00014420: 2e33 3643 3134 3438 2e32 332c 2d33 3237  .36C1448.23,-327\n+00014430: 2e38 3720 3136 3034 2e35 382c 2d33 3031  .87 1604.58,-301\n+00014440: 2e34 3320 3136 3739 2e31 382c 2d32 3838  .43 1679.18,-288\n+00014450: 2e38 3222 2f3e 0a3c 706f 6c79 676f 6e20  .82\"/>.<polygon \n+00014460: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00014470: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00014480: 706f 696e 7473 3d22 3136 3739 2e38 372c  points=\"1679.87,\n+00014490: 2d32 3932 2e32 3520 3136 3839 2e31 342c  -292.25 1689.14,\n+000144a0: 2d32 3837 2e31 3320 3136 3738 2e37 2c2d  -287.13 1678.7,-\n+000144b0: 3238 352e 3335 2031 3637 392e 3837 2c2d  285.35 1679.87,-\n+000144c0: 3239 322e 3235 222f 3e0a 3c2f 673e 0a3c  292.25\"/>.</g>.<\n+000144d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000144e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+000144f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00014500: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00014510: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n+00014520: 6467 6531 3431 2220 636c 6173 733d 2265  dge141\" class=\"e\n+00014530: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00014540: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014550: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+00014560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00014570: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n+00014580: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00014590: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+000145a0: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+000145b0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+000145c0: 4d31 3338 372e 3436 2c2d 3334 372e 3443  M1387.46,-347.4C\n+000145d0: 3134 3339 2e32 372c 2d33 3532 2e38 3920  1439.27,-352.89 \n+000145e0: 3135 3438 2e35 382c 2d33 3637 2e32 3920  1548.58,-367.29 \n+000145f0: 3135 3735 2c2d 3339 332e 3232 2031 3633  1575,-393.22 163\n+00014600: 372e 352c 2d34 3534 2e35 3620 3136 3633  7.5,-454.56 1663\n+00014610: 2e38 392c 2d37 3339 2e35 3320 3136 3730  .89,-739.53 1670\n+00014620: 2e33 352c 2d38 3232 2e38 3322 2f3e 0a3c  .35,-822.83\"/>.<\n+00014630: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n+00014640: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n+00014650: 636b 2220 706f 696e 7473 3d22 3136 3636  ck\" points=\"1666\n+00014660: 2e38 382c 2d38 3233 2e32 3820 3136 3731  .88,-823.28 1671\n+00014670: 2e31 322c 2d38 3332 2e39 3920 3136 3733  .12,-832.99 1673\n+00014680: 2e38 362c 2d38 3232 2e37 3620 3136 3636  .86,-822.76 1666\n+00014690: 2e38 382c 2d38 3233 2e32 3822 2f3e 0a3c  .88,-823.28\"/>.<\n+000146a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000146b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+000146c0: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000146d0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n+000146e0: 786d 202d 2d3e 0a3c 6720 6964 3d22 6564  xm -->.<g id=\"ed\n+000146f0: 6765 3134 3422 2063 6c61 7373 3d22 6564  ge144\" class=\"ed\n+00014700: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00014710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00014720: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00014730: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014740: 6e62 6e78 6d3c 2f74 6974 6c65 3e0a 3c70  nbnxm</title>.<p\n+00014750: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00014760: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+00014770: 4d31 3335 352e 3933 2c2d 3335 372e 3232  M1355.93,-357.22\n+00014780: 4331 3334 392e 3637 2c2d 3336 362e 3420  C1349.67,-366.4 \n+00014790: 3133 3430 2e32 2c2d 3337 392e 3631 2031  1340.2,-379.61 1\n+000147a0: 3333 362c 2d33 3933 2e32 3220 3133 3233  336,-393.22 1323\n+000147b0: 2e39 362c 2d34 3332 2e32 3720 3133 3339  .96,-432.27 1339\n+000147c0: 2e31 312c 2d34 3435 2e37 3520 3133 3536  .11,-445.75 1356\n+000147d0: 2c2d 3438 322e 3936 2031 3337 342e 3831  ,-482.96 1374.81\n+000147e0: 2c2d 3532 342e 3339 2031 3535 352e 3737  ,-524.39 1555.77\n+000147f0: 2c2d 3738 392e 3438 2031 3536 382c 2d38  ,-789.48 1568,-8\n+00014800: 3333 2e33 3120 3135 3731 2e32 312c 2d38  33.31 1571.21,-8\n+00014810: 3434 2e38 3120 3135 3732 2e37 2c2d 3834  44.81 1572.7,-84\n+00014820: 392e 3220 3135 3638 2c2d 3836 302e 3138  9.2 1568,-860.18\n+00014830: 2031 3536 342e 3031 2c2d 3836 392e 3439   1564.01,-869.49\n+00014840: 2031 3531 312e 332c 2d39 3139 2e30 3520   1511.3,-919.05 \n+00014850: 3135 3032 2c2d 3932 332e 3035 2031 3431  1502,-923.05 141\n+00014860: 382e 3833 2c2d 3935 382e 3834 2037 3732  8.83,-958.84 772\n+00014870: 2e37 332c 2d39 3639 2e30 3120 3539 392e  .73,-969.01 599.\n+00014880: 3533 2c2d 3937 312e 3036 222f 3e0a 3c70  53,-971.06\"/>.<p\n+00014890: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+000148a0: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+000148b0: 6f69 6e74 733d 2235 3939 2e34 372c 2d39  oints=\"599.47,-9\n+000148c0: 3637 2e35 3620 3538 392e 3531 2c2d 3937  67.56 589.51,-97\n+000148d0: 312e 3137 2035 3939 2e35 352c 2d39 3734  1.17 599.55,-974\n+000148e0: 2e35 3520 3539 392e 3437 2c2d 3936 372e  .55 599.47,-967.\n+000148f0: 3536 222f 3e0a 3c2f 673e 0a3c 212d 2d20  56\"/>.</g>.<!-- \n+00014900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00014910: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n+00014920: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00014930: 6163 735f 7461 626c 6573 202d 2d3e 0a3c  acs_tables -->.<\n+00014940: 6720 6964 3d22 6564 6765 3134 3022 2063  g id=\"edge140\" c\n+00014950: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00014960: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00014970: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+00014980: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00014990: 6772 6f6d 6163 735f 7461 626c 6573 3c2f  gromacs_tables</\n+000149a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000149b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000149c0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+000149d0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+000149e0: 2064 3d22 4d31 3336 342e 3034 2c2d 3333   d=\"M1364.04,-33\n+000149f0: 302e 3237 4331 3336 382e 332c 2d33 3134  0.27C1368.3,-314\n+00014a00: 2e38 3920 3133 3733 2e33 332c 2d32 3838  .89 1373.33,-288\n+00014a10: 2e32 3820 3133 3635 2c2d 3236 372e 3438  .28 1365,-267.48\n+00014a20: 2031 3335 302e 3634 2c2d 3233 312e 3633   1350.64,-231.63\n+00014a30: 2031 3333 392e 3538 2c2d 3232 312e 3831   1339.58,-221.81\n+00014a40: 2031 3330 352c 2d32 3034 2e36 3120 3131   1305,-204.61 11\n+00014a50: 3337 2e38 382c 2d31 3231 2e34 3820 3533  37.88,-121.48 53\n+00014a60: 392e 3537 2c2d 3938 2e39 3620 3337 372e  9.57,-98.96 377.\n+00014a70: 3635 2c2d 3934 2e33 3322 2f3e 0a3c 706f  65,-94.33\"/>.<po\n+00014a80: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00014a90: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00014aa0: 3266 6363 2220 706f 696e 7473 3d22 3337  2fcc\" points=\"37\n+00014ab0: 372e 3239 2c2d 3930 2e38 3220 3336 372e  7.29,-90.82 367.\n+00014ac0: 3139 2c2d 3934 2e30 3420 3337 372e 3039  19,-94.04 377.09\n+00014ad0: 2c2d 3937 2e38 3120 3337 372e 3239 2c2d  ,-97.81 377.29,-\n+00014ae0: 3930 2e38 3222 2f3e 0a3c 2f67 3e0a 3c21  90.82\"/>.</g>.<!\n+00014af0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00014b00: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00014b10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00014b20: 726f 6d61 6373 5f68 6172 6477 6172 6520  romacs_hardware \n+00014b30: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00014b40: 3432 2220 636c 6173 733d 2265 6467 6522  42\" class=\"edge\"\n+00014b50: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00014b60: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00014b70: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+00014b80: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+00014b90: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70  dware</title>.<p\n+00014ba0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00014bb0: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+00014bc0: 4d31 3338 372e 3936 2c2d 3334 312e 3736  M1387.96,-341.76\n+00014bd0: 4331 3436 382e 312c 2d33 3338 2e34 3520  C1468.1,-338.45 \n+00014be0: 3136 3937 2e30 392c 2d33 3236 2e33 3620  1697.09,-326.36 \n+00014bf0: 3137 3634 2c2d 3239 342e 3335 2031 3835  1764,-294.35 185\n+00014c00: 322e 3631 2c2d 3235 312e 3935 2031 3932  2.61,-251.95 192\n+00014c10: 362e 362c 2d31 3536 2e31 3220 3139 3536  6.6,-156.12 1956\n+00014c20: 2e31 382c 2d31 3133 2e39 3222 2f3e 0a3c  .18,-113.92\"/>.<\n+00014c30: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00014c40: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00014c50: 706f 696e 7473 3d22 3139 3539 2e31 362c  points=\"1959.16,\n+00014c60: 2d31 3135 2e37 3620 3139 3631 2e39 362c  -115.76 1961.96,\n+00014c70: 2d31 3035 2e35 3420 3139 3533 2e34 2c2d  -105.54 1953.4,-\n+00014c80: 3131 312e 3738 2031 3935 392e 3136 2c2d  111.78 1959.16,-\n+00014c90: 3131 352e 3736 222f 3e0a 3c2f 673e 0a3c  115.76\"/>.</g>.<\n+00014ca0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00014cb0: 726f 6d61 6373 5f6d 6473 7061 6e20 2d2d  romacs_mdspan --\n+00014cc0: 3e0a 3c67 2069 643d 226e 6f64 6533 3722  >.<g id=\"node37\"\n+00014cd0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n+00014ce0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00014cf0: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c  _gromacs_mdspan<\n+00014d00: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+00014d10: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00014d20: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+00014d30: 783d 2232 3234 3522 2063 793d 222d 3239  x=\"2245\" cy=\"-29\n+00014d40: 2e34 3422 2072 783d 2233 362e 3132 2220  .44\" rx=\"36.12\" \n+00014d50: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n+00014d60: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n+00014d70: 6d69 6464 6c65 2220 783d 2232 3234 3522  middle\" x=\"2245\"\n+00014d80: 2079 3d22 2d32 362e 3934 2220 666f 6e74   y=\"-26.94\" font\n+00014d90: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+00014da0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00014db0: 2e30 3022 3e6d 6473 7061 6e3c 2f74 6578  .00\">mdspan</tex\n+00014dc0: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n+00014dd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014de0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+00014df0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00014e00: 5f6d 6473 7061 6e20 2d2d 3e0a 3c67 2069  _mdspan -->.<g i\n+00014e10: 643d 2265 6467 6531 3337 2220 636c 6173  d=\"edge137\" clas\n+00014e20: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00014e30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00014e40: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n+00014e50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00014e60: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974  macs_mdspan</tit\n+00014e70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00014e80: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+00014e90: 6422 2064 3d22 4d31 3335 382e 3233 2c2d  d\" d=\"M1358.23,-\n+00014ea0: 3333 302e 3239 4331 3335 322e 3934 2c2d  330.29C1352.94,-\n+00014eb0: 3239 302e 3737 2031 3333 392e 3038 2c2d  290.77 1339.08,-\n+00014ec0: 3136 392e 3435 2031 3336 342c 2d31 3431  169.45 1364,-141\n+00014ed0: 2e37 3420 3134 3230 2e35 352c 2d37 382e  .74 1420.55,-78.\n+00014ee0: 3837 2032 3032 372e 3233 2c2d 3432 2e30  87 2027.23,-42.0\n+00014ef0: 3120 3231 3939 2e35 382c 2d33 322e 3736  1 2199.58,-32.76\n+00014f00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00014f10: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+00014f20: 7265 6422 2070 6f69 6e74 733d 2232 3139  red\" points=\"219\n+00014f30: 392e 3739 2c2d 3336 2e32 3520 3232 3039  9.79,-36.25 2209\n+00014f40: 2e35 392c 2d33 322e 3232 2032 3139 392e  .59,-32.22 2199.\n+00014f50: 3432 2c2d 3239 2e32 3620 3231 3939 2e37  42,-29.26 2199.7\n+00014f60: 392c 2d33 362e 3235 222f 3e0a 3c2f 673e  9,-36.25\"/>.</g>\n+00014f70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00014f80: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+00014f90: 6f72 7920 2d2d 3e0a 3c67 2069 643d 226e  ory -->.<g id=\"n\n+00014fa0: 6f64 6534 3022 2063 6c61 7373 3d22 6e6f  ode40\" class=\"no\n+00014fb0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+00014fc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00014fd0: 7261 6a65 6374 6f72 793c 2f74 6974 6c65  rajectory</title\n+00014fe0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00014ff0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00015000: 3d22 626c 6163 6b22 2063 783d 2232 3035  =\"black\" cx=\"205\n+00015010: 3022 2063 793d 222d 3238 302e 3932 2220  0\" cy=\"-280.92\" \n+00015020: 7278 3d22 3431 2e30 3222 2072 793d 2231  rx=\"41.02\" ry=\"1\n+00015030: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+00015040: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+00015050: 6522 2078 3d22 3230 3530 2220 793d 222d  e\" x=\"2050\" y=\"-\n+00015060: 3237 382e 3432 2220 666f 6e74 2d66 616d  278.42\" font-fam\n+00015070: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00015080: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00015090: 3e74 7261 6a65 6374 6f72 793c 2f74 6578  >trajectory</tex\n+000150a0: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n+000150b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000150c0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+000150d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000150e0: 5f74 7261 6a65 6374 6f72 7920 2d2d 3e0a  _trajectory -->.\n+000150f0: 3c67 2069 643d 2265 6467 6531 3336 2220  <g id=\"edge136\" \n+00015100: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00015110: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00015120: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n+00015130: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00015140: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+00015150: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174  ory</title>.<pat\n+00015160: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00015170: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00015180: 3d22 4d31 3338 372e 3535 2c2d 3334 302e  =\"M1387.55,-340.\n+00015190: 3743 3134 3730 2e34 312c 2d33 3334 2e33  7C1470.41,-334.3\n+000151a0: 3720 3137 3234 2e35 392c 2d33 3134 2e35  7 1724.59,-314.5\n+000151b0: 3920 3139 3335 2c2d 3239 342e 3335 2031  9 1935,-294.35 1\n+000151c0: 3935 372e 3036 2c2d 3239 322e 3233 2031  957.06,-292.23 1\n+000151d0: 3938 312e 3437 2c2d 3238 392e 3633 2032  981.47,-289.63 2\n+000151e0: 3030 322e 3131 2c2d 3238 372e 3335 222f  002.11,-287.35\"/\n+000151f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00015200: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00015210: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00015220: 733d 2232 3030 322e 3636 2c2d 3239 302e  s=\"2002.66,-290.\n+00015230: 3831 2032 3031 322e 3231 2c2d 3238 362e  81 2012.21,-286.\n+00015240: 3233 2032 3030 312e 3839 2c2d 3238 332e  23 2001.89,-283.\n+00015250: 3835 2032 3030 322e 3636 2c2d 3239 302e  85 2002.66,-290.\n+00015260: 3831 222f 3e0a 3c2f 673e 0a3c 212d 2d20  81\"/>.</g>.<!-- \n+00015270: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00015280: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n+00015290: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000152a0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n+000152b0: 6720 6964 3d22 6564 6765 3133 3522 2063  g id=\"edge135\" c\n+000152c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+000152d0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000152e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+000152f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00015300: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n+00015310: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00015320: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00015330: 2223 6266 6266 6266 2220 643d 224d 3133  \"#bfbfbf\" d=\"M13\n+00015340: 3838 2e32 372c 2d33 3434 2e33 3343 3134  88.27,-344.33C14\n+00015350: 3234 2e34 332c 2d33 3435 2e34 3820 3134  24.43,-345.48 14\n+00015360: 3835 2e38 362c 2d33 3533 2e35 3820 3135  85.86,-353.58 15\n+00015370: 3135 2c2d 3339 332e 3232 2031 3630 352e  15,-393.22 1605.\n+00015380: 3131 2c2d 3531 352e 3738 2031 3435 332e  11,-515.78 1453.\n+00015390: 3932 2c2d 3730 342e 3132 2031 3430 302e  92,-704.12 1400.\n+000153a0: 3536 2c2d 3736 332e 3935 222f 3e0a 3c70  56,-763.95\"/>.<p\n+000153b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+000153c0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+000153d0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+000153e0: 3339 372e 3833 2c2d 3736 312e 3735 2031  397.83,-761.75 1\n+000153f0: 3339 332e 3732 2c2d 3737 312e 3532 2031  393.72,-771.52 1\n+00015400: 3430 332e 3032 2c2d 3736 362e 3435 2031  403.02,-766.45 1\n+00015410: 3339 372e 3833 2c2d 3736 312e 3735 222f  397.83,-761.75\"/\n+00015420: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00015430: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00015440: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00015450: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00015460: 6577 616c 6420 2d2d 3e0a 3c67 2069 643d  ewald -->.<g id=\n+00015470: 2265 6467 6531 3339 2220 636c 6173 733d  \"edge139\" class=\n+00015480: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n 00015490: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000154a0: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n-000154b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-000154c0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-000154d0: 6266 2220 643d 224d 3131 3031 2e32 362c  bf\" d=\"M1101.26,\n-000154e0: 2d31 3637 2e36 3143 3131 3230 2e39 352c  -167.61C1120.95,\n-000154f0: 2d31 3838 2e31 3420 3131 3538 2e35 362c  -188.14 1158.56,\n-00015500: 2d32 3333 2e34 3320 3131 3538 2e35 362c  -233.43 1158.56,\n-00015510: 2d32 3739 2e39 3220 3131 3538 2e35 362c  -279.92 1158.56,\n-00015520: 2d34 3037 2e36 3620 3131 3538 2e35 362c  -407.66 1158.56,\n-00015530: 2d34 3037 2e36 3620 3131 3538 2e35 362c  -407.66 1158.56,\n-00015540: 2d34 3037 2e36 3620 3131 3538 2e35 362c  -407.66 1158.56,\n-00015550: 2d34 3638 2e30 3720 3132 3930 2e34 352c  -468.07 1290.45,\n-00015560: 2d35 3736 2e34 3920 3133 3431 2e35 362c  -576.49 1341.56,\n-00015570: 2d36 3038 2e37 2031 3338 302e 352c 2d36  -608.7 1380.5,-6\n-00015580: 3333 2e32 3420 3134 3332 2e35 352c 2d36  33.24 1432.55,-6\n-00015590: 3435 2e39 3220 3134 3636 2e37 392c 2d36  45.92 1466.79,-6\n-000155a0: 3532 2e30 3522 2f3e 0a3c 706f 6c79 676f  52.05\"/>.<polygo\n-000155b0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-000155c0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-000155d0: 2220 706f 696e 7473 3d22 3134 3636 2e33  \" points=\"1466.3\n-000155e0: 372c 2d36 3535 2e35 3320 3134 3736 2e38  7,-655.53 1476.8\n-000155f0: 312c 2d36 3533 2e37 3520 3134 3637 2e35  1,-653.75 1467.5\n-00015600: 342c 2d36 3438 2e36 3320 3134 3636 2e33  4,-648.63 1466.3\n-00015610: 372c 2d36 3535 2e35 3322 2f3e 0a3c 2f67  7,-655.53\"/>.</g\n-00015620: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00015630: 635f 6772 6f6d 6163 735f 7461 626c 6573  c_gromacs_tables\n-00015640: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00015650: 7372 635f 6772 6f6d 6163 735f 6d64 7370  src_gromacs_mdsp\n-00015660: 616e 202d 2d3e 0a3c 6720 6964 3d22 6564  an -->.<g id=\"ed\n-00015670: 6765 3132 3622 2063 6c61 7373 3d22 6564  ge126\" class=\"ed\n-00015680: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00015690: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-000156a0: 6162 6c65 7326 2334 353b 2667 743b 6d6f  ables&#45;&gt;mo\n-000156b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000156c0: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a  _mdspan</title>.\n-000156d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000156e0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-000156f0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00015700: 7261 793d 2235 2c32 2220 643d 224d 3130  ray=\"5,2\" d=\"M10\n-00015710: 3636 2e30 322c 2d31 3436 2e35 3543 3130  66.02,-146.55C10\n-00015720: 3539 2e34 362c 2d31 3434 2e36 3920 3130  59.46,-144.69 10\n-00015730: 3532 2e32 392c 2d31 3432 2e39 2031 3034  52.29,-142.9 104\n-00015740: 352e 3536 2c2d 3134 312e 3734 2037 3934  5.56,-141.74 794\n-00015750: 2e38 362c 2d39 382e 3335 2034 3838 2e36  .86,-98.35 488.6\n-00015760: 372c 2d39 332e 3334 2033 3733 2e39 322c  7,-93.34 373.92,\n-00015770: 2d39 332e 3131 222f 3e0a 3c70 6f6c 7967  -93.11\"/>.<polyg\n-00015780: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00015790: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-000157a0: 6322 2070 6f69 6e74 733d 2233 3733 2e37  c\" points=\"373.7\n-000157b0: 342c 2d38 392e 3631 2033 3633 2e37 342c  4,-89.61 363.74,\n-000157c0: 2d39 332e 3120 3337 332e 3733 2c2d 3936  -93.1 373.73,-96\n-000157d0: 2e36 3120 3337 332e 3734 2c2d 3839 2e36  .61 373.74,-89.6\n-000157e0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-000157f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00015800: 735f 7469 6d69 6e67 202d 2d3e 0a3c 6720  s_timing -->.<g \n-00015810: 6964 3d22 6e6f 6465 3234 2220 636c 6173  id=\"node24\" clas\n-00015820: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-00015830: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00015840: 6163 735f 7469 6d69 6e67 3c2f 7469 746c  acs_timing</titl\n-00015850: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n-00015860: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-00015870: 653d 2262 6c61 636b 2220 6378 3d22 3136  e=\"black\" cx=\"16\n-00015880: 3933 2e35 3622 2063 793d 222d 3834 362e  93.56\" cy=\"-846.\n-00015890: 3735 2220 7278 3d22 3330 2e33 3122 2072  75\" rx=\"30.31\" r\n-000158a0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-000158b0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-000158c0: 6964 646c 6522 2078 3d22 3136 3933 2e35  iddle\" x=\"1693.5\n-000158d0: 3622 2079 3d22 2d38 3434 2e32 3522 2066  6\" y=\"-844.25\" f\n-000158e0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n-000158f0: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n-00015900: 2231 302e 3030 223e 7469 6d69 6e67 3c2f  \"10.00\">timing</\n-00015910: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n-00015920: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00015930: 6373 5f74 696d 696e 6726 2334 353b 2667  cs_timing&#45;&g\n-00015940: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00015950: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n-00015960: 0a3c 6720 6964 3d22 6564 6765 3132 3822  .<g id=\"edge128\"\n-00015970: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00015980: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00015990: 5f67 726f 6d61 6373 5f74 696d 696e 6726  _gromacs_timing&\n-000159a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000159b0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-000159c0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-000159d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000159e0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-000159f0: 224d 3137 3034 2e39 342c 2d38 3334 2e30  \"M1704.94,-834.0\n-00015a00: 3143 3137 3133 2e30 372c 2d38 3235 2e36  1C1713.07,-825.6\n-00015a10: 3120 3137 3234 2e32 322c 2d38 3134 2e31  1 1724.22,-814.1\n-00015a20: 3220 3137 3333 2e36 382c 2d38 3034 2e33  2 1733.68,-804.3\n-00015a30: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669  6\"/>.<polygon fi\n-00015a40: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-00015a50: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-00015a60: 696e 7473 3d22 3137 3336 2e33 372c 2d38  ints=\"1736.37,-8\n-00015a70: 3036 2e36 3120 3137 3430 2e38 322c 2d37  06.61 1740.82,-7\n-00015a80: 3936 2e39 3920 3137 3331 2e33 342c 2d38  96.99 1731.34,-8\n-00015a90: 3031 2e37 3420 3137 3336 2e33 372c 2d38  01.74 1736.37,-8\n-00015aa0: 3036 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21  06.61\"/>.</g>.<!\n-00015ab0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00015ac0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-00015ad0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n-00015ae0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00015af0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-00015b00: 2069 643d 2265 6467 6531 3331 2220 636c   id=\"edge131\" cl\n-00015b10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00015b20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00015b30: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-00015b40: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n-00015b50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00015b60: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n-00015b70: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00015b80: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n-00015b90: 2064 3d22 4d31 3734 312e 3638 2c2d 3630   d=\"M1741.68,-60\n-00015ba0: 382e 3831 4331 3735 382e 3133 2c2d 3632  8.81C1758.13,-62\n-00015bb0: 382e 3331 2031 3738 382e 3233 2c2d 3636  8.31 1788.23,-66\n-00015bc0: 372e 3737 2031 3739 392e 3536 2c2d 3730  7.77 1799.56,-70\n-00015bd0: 372e 3537 2031 3830 322e 3833 2c2d 3731  7.57 1802.83,-71\n-00015be0: 392e 3036 2031 3830 342e 3035 2c2d 3732  9.06 1804.05,-72\n-00015bf0: 332e 3337 2031 3739 392e 3536 2c2d 3733  3.37 1799.56,-73\n-00015c00: 342e 3434 2031 3739 342e 3739 2c2d 3734  4.44 1794.79,-74\n-00015c10: 362e 3220 3137 3835 2e36 352c 2d37 3536  6.2 1785.65,-756\n-00015c20: 2e36 3820 3137 3736 2e36 392c 2d37 3634  .68 1776.69,-764\n-00015c30: 2e38 3522 2f3e 0a3c 706f 6c79 676f 6e20  .85\"/>.<polygon \n-00015c40: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-00015c50: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-00015c60: 3137 3734 2e33 322c 2d37 3632 2e32 3720  1774.32,-762.27 \n-00015c70: 3137 3638 2e39 372c 2d37 3731 2e34 3220  1768.97,-771.42 \n-00015c80: 3137 3738 2e38 352c 2d37 3637 2e36 2031  1778.85,-767.6 1\n-00015c90: 3737 342e 3332 2c2d 3736 322e 3237 222f  774.32,-762.27\"/\n-00015ca0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00015cb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00015cc0: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n-00015cd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00015ce0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n-00015cf0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964  ndline -->.<g id\n-00015d00: 3d22 6564 6765 3134 3222 2063 6c61 7373  =\"edge142\" class\n-00015d10: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00015d20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00015d30: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-00015d40: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-00015d50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-00015d60: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c  ommandline</titl\n-00015d70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00015d80: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61  one\" stroke=\"bla\n-00015d90: 636b 2220 7374 726f 6b65 2d64 6173 6861  ck\" stroke-dasha\n-00015da0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-00015db0: 3639 332e 312c 2d35 3834 2e31 3743 3136  693.1,-584.17C16\n-00015dc0: 3635 2e34 362c 2d35 3735 2e39 3220 3136  65.46,-575.92 16\n-00015dd0: 3237 2e34 342c 2d35 3632 2e38 3420 3135  27.44,-562.84 15\n-00015de0: 3936 2e35 362c 2d35 3435 2e38 3320 3134  96.56,-545.83 14\n-00015df0: 3838 2e34 2c2d 3438 362e 3236 2031 3436  88.4,-486.26 146\n-00015e00: 312e 3735 2c2d 3435 392e 3520 3133 3932  1.75,-459.5 1392\n-00015e10: 2e35 362c 2d33 3537 2e32 3220 3133 3431  .56,-357.22 1341\n-00015e20: 2e35 342c 2d32 3831 2e38 2031 3333 332e  .54,-281.8 1333.\n-00015e30: 3037 2c2d 3235 372e 3333 2031 3331 322e  07,-257.33 1312.\n-00015e40: 3536 2c2d 3136 382e 3631 2031 3330 382e  56,-168.61 1308.\n-00015e50: 3536 2c2d 3135 312e 3331 2031 3330 362c  56,-151.31 1306,\n-00015e60: 2d31 3331 2e33 3720 3133 3034 2e34 372c  -131.37 1304.47,\n-00015e70: 2d31 3136 2e33 3622 2f3e 0a3c 706f 6c79  -116.36\"/>.<poly\n-00015e80: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n-00015e90: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00015ea0: 706f 696e 7473 3d22 3133 3037 2e39 322c  points=\"1307.92,\n-00015eb0: 2d31 3135 2e35 3920 3133 3033 2e35 2c2d  -115.59 1303.5,-\n-00015ec0: 3130 352e 3936 2031 3330 302e 3935 2c2d  105.96 1300.95,-\n-00015ed0: 3131 362e 3234 2031 3330 372e 3932 2c2d  116.24 1307.92,-\n-00015ee0: 3131 352e 3539 222f 3e0a 3c2f 673e 0a3c  115.59\"/>.</g>.<\n-00015ef0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00015f00: 726f 6d61 6373 5f6d 6f64 756c 6172 7369  romacs_modularsi\n-00015f10: 6d75 6c61 746f 7226 2334 353b 2667 743b  mulator&#45;&gt;\n-00015f20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00015f30: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n-00015f40: 0a3c 6720 6964 3d22 6564 6765 3134 3422  .<g id=\"edge144\"\n-00015f50: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00015f60: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00015f70: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n-00015f80: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n-00015f90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00015fa0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n-00015fb0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00015fc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00015fd0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n-00015fe0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00015ff0: 3d22 4d31 3734 362e 3634 2c2d 3630 382e  =\"M1746.64,-608.\n-00016000: 3333 4331 3735 372e 3731 2c2d 3631 372e  33C1757.71,-617.\n-00016010: 3332 2031 3737 322e 3038 2c2d 3633 302e  32 1772.08,-630.\n-00016020: 3438 2031 3738 312e 3536 2c2d 3634 342e  48 1781.56,-644.\n-00016030: 3720 3137 3938 2e31 352c 2d36 3639 2e35  7 1798.15,-669.5\n-00016040: 3920 3137 3937 2e37 2c2d 3637 382e 3731  9 1797.7,-678.71\n-00016050: 2031 3830 352e 3536 2c2d 3730 372e 3537   1805.56,-707.57\n-00016060: 2031 3833 382e 3534 2c2d 3832 382e 3632   1838.54,-828.62\n-00016070: 2031 3738 322e 3933 2c2d 3838 312e 3535   1782.93,-881.55\n-00016080: 2031 3835 322e 3536 2c2d 3938 352e 3932   1852.56,-985.92\n-00016090: 2031 3838 362e 3431 2c2d 3130 3336 2e36   1886.41,-1036.6\n-000160a0: 3620 3139 3532 2e30 382c 2d31 3036 382e  6 1952.08,-1068.\n-000160b0: 3734 2031 3939 332e 3231 2c2d 3130 3834  74 1993.21,-1084\n-000160c0: 2e38 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .8\"/>.<polygon f\n-000160d0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-000160e0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-000160f0: 733d 2231 3939 322e 3031 2c2d 3130 3838  s=\"1992.01,-1088\n-00016100: 2e30 3920 3230 3032 2e36 2c2d 3130 3838  .09 2002.6,-1088\n-00016110: 2e33 3620 3139 3934 2e34 392c 2d31 3038  .36 1994.49,-108\n-00016120: 312e 3534 2031 3939 322e 3031 2c2d 3130  1.54 1992.01,-10\n-00016130: 3838 2e30 3922 2f3e 0a3c 2f67 3e0a 3c21  88.09\"/>.</g>.<!\n-00016140: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00016150: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-00016160: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n-00016170: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00016180: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-00016190: 6964 3d22 6564 6765 3134 3322 2063 6c61  id=\"edge143\" cla\n-000161a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000161b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000161c0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n-000161d0: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n-000161e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000161f0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n-00016200: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00016210: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00016220: 6622 2064 3d22 4d31 3639 362e 3335 2c2d  f\" d=\"M1696.35,-\n-00016230: 3630 362e 3843 3136 3533 2e31 382c 2d36  606.8C1653.18,-6\n-00016240: 3138 2e39 2031 3537 392e 3637 2c2d 3633  18.9 1579.67,-63\n-00016250: 382e 3438 2031 3533 362e 3539 2c2d 3634  8.48 1536.59,-64\n-00016260: 392e 3331 222f 3e0a 3c70 6f6c 7967 6f6e  9.31\"/>.<polygon\n-00016270: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00016280: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00016290: 2070 6f69 6e74 733d 2231 3533 352e 372c   points=\"1535.7,\n-000162a0: 2d36 3435 2e39 3220 3135 3236 2e38 342c  -645.92 1526.84,\n-000162b0: 2d36 3531 2e37 3320 3135 3337 2e33 392c  -651.73 1537.39,\n-000162c0: 2d36 3532 2e37 3120 3135 3335 2e37 2c2d  -652.71 1535.7,-\n-000162d0: 3634 352e 3932 222f 3e0a 3c2f 673e 0a3c  645.92\"/>.</g>.<\n-000162e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000162f0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369  romacs_modularsi\n-00016300: 6d75 6c61 746f 7226 2334 353b 2667 743b  mulator&#45;&gt;\n-00016310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00016320: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720  cs_nbnxm -->.<g \n-00016330: 6964 3d22 6564 6765 3133 3322 2063 6c61  id=\"edge133\" cla\n-00016340: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00016350: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00016360: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n-00016370: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n-00016380: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00016390: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c  _nbnxm</title>.<\n-000163a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000163b0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000163c0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000163d0: 6179 3d22 352c 3222 2064 3d22 4d31 3736  ay=\"5,2\" d=\"M176\n-000163e0: 392e 3936 2c2d 3630 362e 3035 4331 3739  9.96,-606.05C179\n-000163f0: 362e 3638 2c2d 3631 332e 3835 2031 3833  6.68,-613.85 183\n-00016400: 322e 3032 2c2d 3632 362e 3520 3138 3539  2.02,-626.5 1859\n-00016410: 2e35 362c 2d36 3434 2e37 2031 3839 312e  .56,-644.7 1891.\n-00016420: 3738 2c2d 3636 3620 3138 3937 2e31 332c  78,-666 1897.13,\n-00016430: 2d36 3736 2e31 3320 3139 3139 2e35 362c  -676.13 1919.56,\n-00016440: 2d37 3037 2e35 3720 3139 3536 2e30 392c  -707.57 1956.09,\n-00016450: 2d37 3538 2e37 3920 3139 3635 2e30 312c  -758.79 1965.01,\n-00016460: 2d37 3733 2e35 3120 3139 3834 2e35 362c  -773.51 1984.56,\n-00016470: 2d38 3333 2e33 3120 3139 3937 2e31 2c2d  -833.31 1997.1,-\n-00016480: 3837 312e 3638 2031 3939 302e 3032 2c2d  871.68 1990.02,-\n-00016490: 3838 332e 3620 3139 3938 2e35 362c 2d39  883.6 1998.56,-9\n-000164a0: 3233 2e30 3520 3230 3035 2e33 312c 2d39  23.05 2005.31,-9\n-000164b0: 3534 2e32 3220 3230 3135 2e36 332c 2d39  54.22 2015.63,-9\n-000164c0: 3839 2e36 2032 3032 322e 3439 2c2d 3130  89.6 2022.49,-10\n-000164d0: 3131 2e39 3522 2f3e 0a3c 706f 6c79 676f  11.95\"/>.<polygo\n-000164e0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-000164f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00016500: 2220 706f 696e 7473 3d22 3230 3139 2e32  \" points=\"2019.2\n-00016510: 332c 2d31 3031 332e 3238 2032 3032 352e  3,-1013.28 2025.\n-00016520: 3534 2c2d 3130 3231 2e37 3920 3230 3235  54,-1021.79 2025\n-00016530: 2e39 322c 2d31 3031 312e 3220 3230 3139  .92,-1011.2 2019\n-00016540: 2e32 332c 2d31 3031 332e 3238 222f 3e0a  .23,-1013.28\"/>.\n-00016550: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00016560: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n-00016570: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n-00016580: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00016590: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n-000165a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132  ->.<g id=\"edge12\n-000165b0: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-000165c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000165d0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n-000165e0: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n-000165f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00016600: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469  romacs_mdlib</ti\n-00016610: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00016620: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-00016630: 6564 2220 643d 224d 3137 3234 2e32 332c  ed\" d=\"M1724.23,\n-00016640: 2d35 3831 2e36 3643 3137 3134 2e34 382c  -581.66C1714.48,\n-00016650: 2d35 3631 2e34 3420 3136 3936 2e32 312c  -561.44 1696.21,\n-00016660: 2d35 3230 2e32 3620 3136 3839 2e35 362c  -520.26 1689.56,\n-00016670: 2d34 3832 2e39 3620 3136 3738 2e38 332c  -482.96 1678.83,\n-00016680: 2d34 3232 2e37 3920 3136 3430 2e34 372c  -422.79 1640.47,\n-00016690: 2d34 3233 2e32 3920 3137 3030 2e35 362c  -423.29 1700.56,\n-000166a0: 2d32 3637 2e34 3820 3137 3034 2e38 2c2d  -267.48 1704.8,-\n-000166b0: 3235 362e 3439 2031 3731 322e 3531 2c2d  256.49 1712.51,-\n-000166c0: 3234 362e 3037 2031 3731 392e 3936 2c2d  246.07 1719.96,-\n-000166d0: 3233 372e 3733 222f 3e0a 3c70 6f6c 7967  237.73\"/>.<polyg\n-000166e0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-000166f0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-00016700: 733d 2231 3732 322e 3536 2c2d 3234 302e  s=\"1722.56,-240.\n-00016710: 3038 2031 3732 362e 3931 2c2d 3233 302e  08 1726.91,-230.\n-00016720: 3432 2031 3731 372e 3438 2c2d 3233 352e  42 1717.48,-235.\n-00016730: 3236 2031 3732 322e 3536 2c2d 3234 302e  26 1722.56,-240.\n-00016740: 3038 222f 3e0a 3c2f 673e 0a3c 212d 2d20  08\"/>.</g>.<!-- \n-00016750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00016760: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-00016770: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-00016780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00016790: 6173 6b61 7373 6967 6e6d 656e 7420 2d2d  askassignment --\n-000167a0: 3e0a 3c67 2069 643d 2265 6467 6531 3431  >.<g id=\"edge141\n-000167b0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000167c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000167d0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-000167e0: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-000167f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00016800: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-00016810: 6d65 6e74 3c2f 7469 746c 653e 0a3c 7061  ment</title>.<pa\n-00016820: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00016830: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-00016840: 3137 3737 2e35 382c 2d35 3835 2e38 3843  1777.58,-585.88C\n-00016850: 3138 3434 2e34 322c 2d35 3732 2e33 3720  1844.42,-572.37 \n-00016860: 3139 3638 2e38 362c 2d35 3431 2e31 3920  1968.86,-541.19 \n-00016870: 3230 3539 2e35 362c 2d34 3832 2e39 3620  2059.56,-482.96 \n-00016880: 3230 3932 2e30 362c 2d34 3632 2e31 2032  2092.06,-462.1 2\n-00016890: 3130 352e 322c 2d34 3535 2e39 3520 3231  105.2,-455.95 21\n-000168a0: 3139 2e35 362c 2d34 3230 2e30 3920 3231  19.56,-420.09 21\n-000168b0: 3234 2c2d 3430 3920 3231 3233 2e39 332c  24,-409 2123.93,\n-000168c0: 2d34 3034 2e33 3420 3231 3139 2e35 362c  -404.34 2119.56,\n-000168d0: 2d33 3933 2e32 3220 3231 3135 2e31 332c  -393.22 2115.13,\n-000168e0: 2d33 3831 2e39 3320 3231 3036 2e36 392c  -381.93 2106.69,\n-000168f0: 2d33 3731 2e37 3120 3230 3938 2e33 2c2d  -371.71 2098.3,-\n-00016900: 3336 332e 3622 2f3e 0a3c 706f 6c79 676f  363.6\"/>.<polygo\n-00016910: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-00016920: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-00016930: 3d22 3231 3030 2e35 312c 2d33 3630 2e38  =\"2100.51,-360.8\n-00016940: 3720 3230 3930 2e37 342c 2d33 3536 2e37  7 2090.74,-356.7\n-00016950: 3720 3230 3935 2e38 322c 2d33 3636 2e30  7 2095.82,-366.0\n-00016960: 3720 3231 3030 2e35 312c 2d33 3630 2e38  7 2100.51,-360.8\n-00016970: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n-00016980: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00016990: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-000169a0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-000169b0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-000169c0: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n-000169d0: 6564 6765 3133 3422 2063 6c61 7373 3d22  edge134\" class=\"\n-000169e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000169f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00016a00: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n-00016a10: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n-00016a20: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-00016a30: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174  dec</title>.<pat\n-00016a40: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00016a50: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n-00016a60: 3735 362e 3737 2c2d 3538 322e 3835 4331  756.77,-582.85C1\n-00016a70: 3830 392e 312c 2d35 3630 2e30 3420 3139  809.1,-560.04 19\n-00016a80: 3236 2e33 362c 2d35 3038 2e39 3520 3139  26.36,-508.95 19\n-00016a90: 3832 2e38 392c 2d34 3834 2e33 3222 2f3e  82.89,-484.32\"/>\n-00016aa0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00016ab0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-00016ac0: 2220 706f 696e 7473 3d22 3139 3834 2e36  \" points=\"1984.6\n-00016ad0: 322c 2d34 3837 2e33 3920 3139 3932 2e33  2,-487.39 1992.3\n-00016ae0: 392c 2d34 3830 2e31 3820 3139 3831 2e38  9,-480.18 1981.8\n-00016af0: 332c 2d34 3830 2e39 3720 3139 3834 2e36  3,-480.97 1984.6\n-00016b00: 322c 2d34 3837 2e33 3922 2f3e 0a3c 2f67  2,-487.39\"/>.</g\n-00016b10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00016b20: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-00016b30: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-00016b40: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00016b50: 6f6d 6163 735f 6d64 7275 6e20 2d2d 3e0a  omacs_mdrun -->.\n-00016b60: 3c67 2069 643d 2265 6467 6531 3336 2220  <g id=\"edge136\" \n-00016b70: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00016b80: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00016b90: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-00016ba0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-00016bb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00016bc0: 6163 735f 6d64 7275 6e3c 2f74 6974 6c65  acs_mdrun</title\n-00016bd0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00016be0: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n-00016bf0: 2064 3d22 4d31 3733 302e 3139 2c2d 3538   d=\"M1730.19,-58\n-00016c00: 312e 3733 4331 3733 342e 3335 2c2d 3535  1.73C1734.35,-55\n-00016c10: 302e 3533 2031 3735 352c 2d34 3639 2e30  0.53 1755,-469.0\n-00016c20: 3320 3137 3638 2e33 372c 2d34 3239 2e36  3 1768.37,-429.6\n-00016c30: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n-00016c40: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-00016c50: 2272 6564 2220 706f 696e 7473 3d22 3137  \"red\" points=\"17\n-00016c60: 3731 2e36 392c 2d34 3330 2e37 3320 3137  71.69,-430.73 17\n-00016c70: 3731 2e37 362c 2d34 3230 2e31 3320 3137  71.76,-420.13 17\n-00016c80: 3635 2e31 2c2d 3432 382e 3337 2031 3737  65.1,-428.37 177\n-00016c90: 312e 3639 2c2d 3433 302e 3733 222f 3e0a  1.69,-430.73\"/>.\n-00016ca0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00016cb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n-00016cc0: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n-00016cd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00016ce0: 5f67 726f 6d61 6373 5f63 6f6d 7061 7420  _gromacs_compat \n-00016cf0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00016d00: 3335 2220 636c 6173 733d 2265 6467 6522  35\" class=\"edge\"\n-00016d10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00016d20: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-00016d30: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n-00016d40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00016d50: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f  gromacs_compat</\n-00016d60: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00016d70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00016d80: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00016d90: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00016da0: 2064 3d22 4d31 3739 342e 3933 2c2d 3539   d=\"M1794.93,-59\n-00016db0: 332e 3235 4331 3930 372e 3636 2c2d 3538  3.25C1907.66,-58\n-00016dc0: 372e 3733 2032 3134 302e 3136 2c2d 3535  7.73 2140.16,-55\n-00016dd0: 392e 3037 2032 3235 392e 3536 2c2d 3432  9.07 2259.56,-42\n-00016de0: 302e 3039 2032 3332 322e 3436 2c2d 3334  0.09 2322.46,-34\n-00016df0: 362e 3838 2032 3331 302e 3731 2c2d 3239  6.88 2310.71,-29\n-00016e00: 382e 3036 2032 3238 362e 3536 2c2d 3230  8.06 2286.56,-20\n-00016e10: 342e 3631 2032 3238 342e 3137 2c2d 3139  4.61 2284.17,-19\n-00016e20: 352e 3336 2032 3238 302e 3131 2c2d 3138  5.36 2280.11,-18\n-00016e30: 352e 3637 2032 3237 362e 3133 2c2d 3137  5.67 2276.13,-17\n-00016e40: 372e 3431 222f 3e0a 3c70 6f6c 7967 6f6e  7.41\"/>.<polygon\n-00016e50: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00016e60: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00016e70: 2070 6f69 6e74 733d 2232 3237 392e 3235   points=\"2279.25\n-00016e80: 2c2d 3137 352e 3831 2032 3237 312e 362c  ,-175.81 2271.6,\n-00016e90: 2d31 3638 2e34 3820 3232 3733 2e30 312c  -168.48 2273.01,\n-00016ea0: 2d31 3738 2e39 3820 3232 3739 2e32 352c  -178.98 2279.25,\n-00016eb0: 2d31 3735 2e38 3122 2f3e 0a3c 2f67 3e0a  -175.81\"/>.</g>.\n-00016ec0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00016ed0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-00016ee0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-00016ef0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00016f00: 6163 735f 6577 616c 6420 2d2d 3e0a 3c67  acs_ewald -->.<g\n-00016f10: 2069 643d 2265 6467 6531 3332 2220 636c   id=\"edge132\" cl\n-00016f20: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00016f30: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00016f40: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-00016f50: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n-00016f60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00016f70: 735f 6577 616c 643c 2f74 6974 6c65 3e0a  s_ewald</title>.\n-00016f80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00016f90: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n-00016fa0: 3d22 4d31 3636 362e 3837 2c2d 3539 322e  =\"M1666.87,-592.\n-00016fb0: 3433 4331 3539 302e 3833 2c2d 3538 382e  43C1590.83,-588.\n-00016fc0: 3820 3134 3630 2e35 312c 2d35 3738 2031  8 1460.51,-578 1\n-00016fd0: 3335 332e 3536 2c2d 3534 352e 3833 2031  353.56,-545.83 1\n-00016fe0: 3233 322e 3137 2c2d 3530 392e 3332 2031  232.17,-509.32 1\n-00016ff0: 3231 312e 3136 2c2d 3437 362e 3333 2031  211.16,-476.33 1\n-00017000: 3039 372e 3536 2c2d 3432 302e 3039 2031  097.56,-420.09 1\n-00017010: 3034 312e 3437 2c2d 3339 322e 3332 2031  041.47,-392.32 1\n-00017020: 3032 352e 3731 2c2d 3338 382e 3631 2039  025.71,-388.61 9\n-00017030: 3731 2e35 362c 2d33 3537 2e32 3220 3933  71.56,-357.22 93\n-00017040: 392e 3531 2c2d 3333 382e 3634 2039 3034  9.51,-338.64 904\n-00017050: 2e32 332c 2d33 3134 2e35 2038 3831 2e37  .23,-314.5 881.7\n-00017060: 362c 2d32 3938 2e36 3222 2f3e 0a3c 706f  6,-298.62\"/>.<po\n-00017070: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n-00017080: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n-00017090: 696e 7473 3d22 3838 332e 3731 2c2d 3239  ints=\"883.71,-29\n-000170a0: 352e 3731 2038 3733 2e35 332c 2d32 3932  5.71 873.53,-292\n-000170b0: 2e37 3720 3837 392e 3635 2c2d 3330 312e  .77 879.65,-301.\n-000170c0: 3431 2038 3833 2e37 312c 2d32 3935 2e37  41 883.71,-295.7\n-000170d0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-000170e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000170f0: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-00017100: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-00017110: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n-00017120: 6c6c 696e 6720 2d2d 3e0a 3c67 2069 643d  lling -->.<g id=\n-00017130: 2265 6467 6531 3338 2220 636c 6173 733d  \"edge138\" class=\n-00017140: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00017150: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00017160: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-00017170: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-00017180: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n-00017190: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c70  lling</title>.<p\n-000171a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-000171b0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-000171c0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-000171d0: 793d 2235 2c32 2220 643d 224d 3137 3131  y=\"5,2\" d=\"M1711\n-000171e0: 2e39 392c 2d35 3832 2e32 3443 3136 3937  .99,-582.24C1697\n-000171f0: 2e35 392c 2d35 3732 2e39 3120 3136 3737  .59,-572.91 1677\n-00017200: 2e34 382c 2d35 3539 2e38 3920 3136 3631  .48,-559.89 1661\n-00017210: 2e36 352c 2d35 3439 2e36 3422 2f3e 0a3c  .65,-549.64\"/>.<\n-00017220: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00017230: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00017240: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00017250: 3136 3633 2e31 392c 2d35 3436 2e34 3720  1663.19,-546.47 \n-00017260: 3136 3532 2e38 392c 2d35 3433 2e39 3720  1652.89,-543.97 \n-00017270: 3136 3539 2e33 392c 2d35 3532 2e33 3520  1659.39,-552.35 \n-00017280: 3136 3633 2e31 392c 2d35 3436 2e34 3722  1663.19,-546.47\"\n-00017290: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-000172a0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000172b0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-000172c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000172d0: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-000172e0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-000172f0: 6765 3133 3722 2063 6c61 7373 3d22 6564  ge137\" class=\"ed\n-00017300: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00017310: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00017320: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n-00017330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00017340: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-00017350: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-00017360: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00017370: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-00017380: 4d31 3733 362e 3034 2c2d 3630 382e 3835  M1736.04,-608.85\n-00017390: 4331 3734 382e 372c 2d36 3338 2e37 3620  C1748.7,-638.76 \n-000173a0: 3137 3737 2e39 2c2d 3731 332e 3231 2031  1777.9,-713.21 1\n-000173b0: 3736 342e 3536 2c2d 3733 342e 3434 2031  764.56,-734.44 1\n-000173c0: 3736 342e 3139 2c2d 3733 352e 3033 2031  764.19,-735.03 1\n-000173d0: 3632 352e 3031 2c2d 3830 312e 3837 2031  625.01,-801.87 1\n-000173e0: 3536 322e 3839 2c2d 3833 312e 3637 222f  562.89,-831.67\"/\n-000173f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00017400: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00017410: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00017420: 733d 2231 3536 312e 3132 2c2d 3832 382e  s=\"1561.12,-828.\n-00017430: 3634 2031 3535 332e 3632 2c2d 3833 362e  64 1553.62,-836.\n-00017440: 3132 2031 3536 342e 3135 2c2d 3833 342e  12 1564.15,-834.\n-00017450: 3935 2031 3536 312e 3132 2c2d 3832 382e  95 1561.12,-828.\n-00017460: 3634 222f 3e0a 3c2f 673e 0a3c 212d 2d20  64\"/>.</g>.<!-- \n-00017470: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00017480: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-00017490: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-000174a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-000174b0: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n-000174c0: 2265 6467 6531 3339 2220 636c 6173 733d  \"edge139\" class=\n-000174d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000174e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000174f0: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-00017500: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-00017510: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n-00017520: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061  ndom</title>.<pa\n-00017530: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00017540: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n-00017550: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00017560: 352c 3222 2064 3d22 4d31 3636 392e 3832  5,2\" d=\"M1669.82\n-00017570: 2c2d 3539 302e 3335 4331 3538 322e 3133  ,-590.35C1582.13\n-00017580: 2c2d 3538 332e 3937 2031 3432 342e 3934  ,-583.97 1424.94\n-00017590: 2c2d 3536 392e 3539 2031 3337 332e 3536  ,-569.59 1373.56\n-000175a0: 2c2d 3534 352e 3833 2031 3238 312e 3431  ,-545.83 1281.41\n-000175b0: 2c2d 3530 332e 3231 2031 3238 302e 3235  ,-503.21 1280.25\n-000175c0: 2c2d 3435 392e 3736 2031 3230 332e 3536  ,-459.76 1203.56\n-000175d0: 2c2d 3339 332e 3232 2031 3137 302e 3731  ,-393.22 1170.71\n-000175e0: 2c2d 3336 342e 3732 2031 3136 342e 3437  ,-364.72 1164.47\n-000175f0: 2c2d 3335 342e 3839 2031 3132 382e 3536  ,-354.89 1128.56\n-00017600: 2c2d 3333 302e 3335 2031 3032 382e 3538  ,-330.35 1028.58\n-00017610: 2c2d 3236 322e 3034 2038 3939 2e32 392c  ,-262.04 899.29,\n-00017620: 2d31 3938 2e30 3420 3834 312e 322c 2d31  -198.04 841.2,-1\n-00017630: 3730 2e34 3522 2f3e 0a3c 706f 6c79 676f  70.45\"/>.<polygo\n-00017640: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n-00017650: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n-00017660: 696e 7473 3d22 3834 322e 3339 2c2d 3136  ints=\"842.39,-16\n-00017670: 372e 3134 2038 3331 2e38 352c 2d31 3636  7.14 831.85,-166\n-00017680: 2e30 3320 3833 392e 342c 2d31 3733 2e34  .03 839.4,-173.4\n-00017690: 3720 3834 322e 3339 2c2d 3136 372e 3134  7 842.39,-167.14\n-000176a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-000176b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000176c0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n-000176d0: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n-000176e0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-000176f0: 7465 645f 666f 7263 6573 202d 2d3e 0a3c  ted_forces -->.<\n-00017700: 6720 6964 3d22 6564 6765 3134 3022 2063  g id=\"edge140\" c\n-00017710: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00017720: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00017730: 726f 6d61 6373 5f6d 6f64 756c 6172 7369  romacs_modularsi\n-00017740: 6d75 6c61 746f 7226 2334 353b 2667 743b  mulator&#45;&gt;\n-00017750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00017760: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-00017770: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00017780: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00017790: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-000177a0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-000177b0: 3222 2064 3d22 4d31 3733 382e 3232 2c2d  2\" d=\"M1738.22,-\n-000177c0: 3630 382e 3835 4331 3734 342e 3032 2c2d  608.85C1744.02,-\n-000177d0: 3631 382e 3533 2031 3735 322e 3037 2c2d  618.53 1752.07,-\n-000177e0: 3633 322e 3331 2031 3735 382e 3536 2c2d  632.31 1758.56,-\n-000177f0: 3634 342e 3720 3138 3137 2e34 362c 2d37  644.7 1817.46,-7\n-00017800: 3537 2e32 3220 3138 3739 2e35 342c 2d38  57.22 1879.54,-8\n-00017810: 3936 2e32 2031 3930 322e 3931 2c2d 3934  96.2 1902.91,-94\n-00017820: 392e 3338 222f 3e0a 3c70 6f6c 7967 6f6e  9.38\"/>.<polygon\n-00017830: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00017840: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00017850: 2070 6f69 6e74 733d 2231 3839 392e 3834   points=\"1899.84\n-00017860: 2c2d 3935 312e 3038 2031 3930 372e 3036  ,-951.08 1907.06\n-00017870: 2c2d 3935 382e 3834 2031 3930 362e 3235  ,-958.84 1906.25\n-00017880: 2c2d 3934 382e 3237 2031 3839 392e 3834  ,-948.27 1899.84\n-00017890: 2c2d 3935 312e 3038 222f 3e0a 3c2f 673e  ,-951.08\"/>.</g>\n-000178a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-000178b0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n-000178c0: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n-000178d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000178e0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-000178f0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00017900: 6531 3330 2220 636c 6173 733d 2265 6467  e130\" class=\"edg\n-00017910: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00017920: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n-00017930: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n-00017940: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00017950: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00017960: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n-00017970: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00017980: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00017990: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000179a0: 6179 3d22 352c 3222 2064 3d22 4d31 3738  ay=\"5,2\" d=\"M178\n-000179b0: 312e 3833 2c2d 3630 332e 3638 4331 3831  1.83,-603.68C181\n-000179c0: 362e 3839 2c2d 3631 302e 3434 2031 3836  6.89,-610.44 186\n-000179d0: 332e 3339 2c2d 3632 322e 3832 2031 3839  3.39,-622.82 189\n-000179e0: 392e 3536 2c2d 3634 342e 3720 3139 3136  9.56,-644.7 1916\n-000179f0: 2e30 392c 2d36 3534 2e36 3920 3139 3438  .09,-654.69 1948\n-00017a00: 2e36 2c2d 3639 312e 3637 2031 3935 392e  .6,-691.67 1959.\n-00017a10: 3536 2c2d 3730 372e 3537 2031 3939 342e  56,-707.57 1994.\n-00017a20: 3731 2c2d 3735 382e 3535 2031 3939 332e  71,-758.55 1993.\n-00017a30: 3138 2c2d 3737 372e 3239 2032 3031 392e  18,-777.29 2019.\n-00017a40: 3536 2c2d 3833 332e 3331 2032 3032 372e  56,-833.31 2027.\n-00017a50: 3939 2c2d 3835 312e 3232 2032 3033 372e  99,-851.22 2037.\n-00017a60: 3435 2c2d 3837 312e 3538 2032 3034 342e  45,-871.58 2044.\n-00017a70: 3431 2c2d 3838 362e 3631 222f 3e0a 3c70  41,-886.61\"/>.<p\n-00017a80: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00017a90: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00017aa0: 3832 6663 6322 2070 6f69 6e74 733d 2232  82fcc\" points=\"2\n-00017ab0: 3034 312e 342c 2d38 3838 2e34 3620 3230  041.4,-888.46 20\n-00017ac0: 3438 2e37 382c 2d38 3936 2e30 3720 3230  48.78,-896.07 20\n-00017ad0: 3437 2e37 362c 2d38 3835 2e35 3320 3230  47.76,-885.53 20\n-00017ae0: 3431 2e34 2c2d 3838 382e 3436 222f 3e0a  41.4,-888.46\"/>.\n-00017af0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00017b00: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n-00017b10: 656e 7469 616c 6479 6e61 6d69 6373 2623  entialdynamics&#\n-00017b20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00017b30: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00017b40: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-00017b50: 6531 3531 2220 636c 6173 733d 2265 6467  e151\" class=\"edg\n-00017b60: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00017b70: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n-00017b80: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n-00017b90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00017ba0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-00017bb0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-00017bc0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00017bd0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00017be0: 224d 3235 3435 2e33 392c 2d31 3638 2e38  \"M2545.39,-168.8\n-00017bf0: 3443 3235 3438 2e31 382c 2d32 3231 2e31  4C2548.18,-221.1\n-00017c00: 3920 3235 3532 2e32 352c 2d34 3233 2e36  9 2552.25,-423.6\n-00017c10: 3420 3234 3539 2e35 362c 2d35 3435 2e38  4 2459.56,-545.8\n-00017c20: 3320 3232 3937 2e31 312c 2d37 3539 2e39  3 2297.11,-759.9\n-00017c30: 3820 3139 3333 2e31 312c 2d37 3832 2e36  8 1933.11,-782.6\n-00017c40: 3920 3138 3031 2e33 352c 2d37 3833 2e36  9 1801.35,-783.6\n-00017c50: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n-00017c60: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-00017c70: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-00017c80: 696e 7473 3d22 3138 3031 2e31 352c 2d37  ints=\"1801.15,-7\n-00017c90: 3830 2e31 3220 3137 3931 2e31 362c 2d37  80.12 1791.16,-7\n-00017ca0: 3833 2e36 3520 3138 3031 2e31 372c 2d37  83.65 1801.17,-7\n-00017cb0: 3837 2e31 3220 3138 3031 2e31 352c 2d37  87.12 1801.15,-7\n-00017cc0: 3830 2e31 3222 2f3e 0a3c 2f67 3e0a 3c21  80.12\"/>.</g>.<!\n-00017cd0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00017ce0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n-00017cf0: 796e 616d 6963 7326 2334 353b 2667 743b  ynamics&#45;&gt;\n-00017d00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00017d10: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n-00017d20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134  ->.<g id=\"edge14\n-00017d30: 3522 2063 6c61 7373 3d22 6564 6765 223e  5\" class=\"edge\">\n-00017d40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00017d50: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n-00017d60: 7469 616c 6479 6e61 6d69 6373 2623 3435  tialdynamics&#45\n-00017d70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00017d80: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n-00017d90: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174  ine</title>.<pat\n-00017da0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00017db0: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-00017dc0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00017dd0: 2c32 2220 643d 224d 3234 3838 2e33 392c  ,2\" d=\"M2488.39,\n-00017de0: 2d31 3437 2e32 3243 3234 3639 2e39 392c  -147.22C2469.99,\n-00017df0: 2d31 3435 2e31 3620 3234 3439 2e34 322c  -145.16 2449.42,\n-00017e00: 2d31 3433 2e31 2032 3433 302e 3536 2c2d  -143.1 2430.56,-\n-00017e10: 3134 312e 3734 2031 3937 372e 3233 2c2d  141.74 1977.23,-\n-00017e20: 3130 392e 3038 2031 3836 312e 3735 2c2d  109.08 1861.75,-\n-00017e30: 3134 302e 3235 2031 3430 382e 3536 2c2d  140.25 1408.56,-\n-00017e40: 3130 352e 3734 2031 3339 312e 3838 2c2d  105.74 1391.88,-\n-00017e50: 3130 342e 3437 2031 3337 332e 3739 2c2d  104.47 1373.79,-\n-00017e60: 3130 322e 3535 2031 3335 372e 3335 2c2d  102.55 1357.35,-\n-00017e70: 3130 302e 3622 2f3e 0a3c 706f 6c79 676f  100.6\"/>.<polygo\n-00017e80: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n-00017e90: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n-00017ea0: 696e 7473 3d22 3133 3537 2e37 2c2d 3937  ints=\"1357.7,-97\n-00017eb0: 2e31 3120 3133 3437 2e33 352c 2d39 392e  .11 1347.35,-99.\n-00017ec0: 3338 2031 3335 362e 3836 2c2d 3130 342e  38 1356.86,-104.\n-00017ed0: 3036 2031 3335 372e 372c 2d39 372e 3131  06 1357.7,-97.11\n-00017ee0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00017ef0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00017f00: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n-00017f10: 6373 2623 3435 3b26 6774 3b6d 6f64 756c  cs&#45;&gt;modul\n-00017f20: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-00017f30: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22  leio -->.<g id=\"\n-00017f40: 6564 6765 3134 3722 2063 6c61 7373 3d22  edge147\" class=\"\n-00017f50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00017f60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00017f70: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n-00017f80: 6373 2623 3435 3b26 6774 3b6d 6f64 756c  cs&#45;&gt;modul\n-00017f90: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-00017fa0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n-00017fb0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00017fc0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00017fd0: 643d 224d 3235 3433 2e36 382c 2d31 3639  d=\"M2543.68,-169\n-00017fe0: 2e30 3643 3235 3431 2e30 322c 2d32 3031  .06C2541.02,-201\n-00017ff0: 2e39 3420 3235 3331 2e31 392c 2d32 3931  .94 2531.19,-291\n-00018000: 2e30 3720 3234 3939 2e35 362c 2d33 3537  .07 2499.56,-357\n-00018010: 2e32 3220 3234 3638 2e37 362c 2d34 3231  .22 2468.76,-421\n-00018020: 2e36 3420 3234 3538 2e32 2c2d 3434 322e  .64 2458.2,-442.\n-00018030: 3231 2032 3339 392e 3536 2c2d 3438 322e  21 2399.56,-482.\n-00018040: 3936 2032 3235 312e 3734 2c2d 3538 352e  96 2251.74,-585.\n-00018050: 3638 2032 3139 302e 382c 2d35 3732 2e30  68 2190.8,-572.0\n-00018060: 3620 3230 3134 2e35 362c 2d36 3038 2e37  6 2014.56,-608.7\n-00018070: 2031 3833 392e 3335 2c2d 3634 352e 3133   1839.35,-645.13\n-00018080: 2031 3632 342e 3635 2c2d 3635 342e 3231   1624.65,-654.21\n-00018090: 2031 3533 392e 372c 2d36 3536 2e34 3322   1539.7,-656.43\"\n-000180a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000180b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-000180c0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-000180d0: 7473 3d22 3135 3339 2e34 332c 2d36 3532  ts=\"1539.43,-652\n-000180e0: 2e39 3320 3135 3239 2e35 322c 2d36 3536  .93 1529.52,-656\n-000180f0: 2e36 3820 3135 3339 2e36 2c2d 3635 392e  .68 1539.6,-659.\n-00018100: 3933 2031 3533 392e 3433 2c2d 3635 322e  93 1539.43,-652.\n-00018110: 3933 222f 3e0a 3c2f 673e 0a3c 212d 2d20  93\"/>.</g>.<!-- \n-00018120: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00018130: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n-00018140: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64  mics&#45;&gt;mod\n-00018150: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018160: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d  mdlib -->.<g id=\n-00018170: 2265 6467 6531 3439 2220 636c 6173 733d  \"edge149\" class=\n-00018180: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00018190: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000181a0: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n-000181b0: 6963 7326 2334 353b 2667 743b 6d6f 6475  ics&#45;&gt;modu\n-000181c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000181d0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061  dlib</title>.<pa\n-000181e0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000181f0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00018200: 643d 224d 3234 3839 2e39 382c 2d31 3633  d=\"M2489.98,-163\n-00018210: 2e35 3243 3234 3733 2e37 392c 2d31 3635  .52C2473.79,-165\n-00018220: 2e33 3120 3234 3536 2e30 322c 2d31 3637  .31 2456.02,-167\n-00018230: 2e31 3420 3234 3339 2e35 362c 2d31 3638  .14 2439.56,-168\n-00018240: 2e36 3120 3231 3837 2e36 392c 2d31 3931  .61 2187.69,-191\n-00018250: 2e31 3720 3138 3833 2e33 382c 2d32 3039  .17 1883.38,-209\n-00018260: 2e33 3520 3137 3737 2e37 322c 2d32 3135  .35 1777.72,-215\n-00018270: 2e31 3222 2f3e 0a3c 706f 6c79 676f 6e20  .12\"/>.<polygon \n-00018280: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00018290: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-000182a0: 706f 696e 7473 3d22 3137 3737 2e33 342c  points=\"1777.34,\n-000182b0: 2d32 3131 2e36 3420 3137 3637 2e35 352c  -211.64 1767.55,\n-000182c0: 2d32 3135 2e36 3720 3137 3737 2e37 322c  -215.67 1777.72,\n-000182d0: 2d32 3138 2e36 3320 3137 3737 2e33 342c  -218.63 1777.34,\n-000182e0: 2d32 3131 2e36 3422 2f3e 0a3c 2f67 3e0a  -211.64\"/>.</g>.\n-000182f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00018300: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n-00018310: 6c64 796e 616d 6963 7326 2334 353b 2667  ldynamics&#45;&g\n-00018320: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00018330: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n-00018340: 3c67 2069 643d 2265 6467 6531 3436 2220  <g id=\"edge146\" \n-00018350: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00018360: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00018370: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n-00018380: 6c64 796e 616d 6963 7326 2334 353b 2667  ldynamics&#45;&g\n-00018390: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000183a0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974  macs_domdec</tit\n-000183b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000183c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-000183d0: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-000183e0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-000183f0: 224d 3235 3337 2e30 382c 2d31 3638 2e38  \"M2537.08,-168.8\n-00018400: 4332 3532 372e 3633 2c2d 3138 342e 3239  C2527.63,-184.29\n-00018410: 2032 3531 302e 3434 2c2d 3231 312e 3032   2510.44,-211.02\n-00018420: 2032 3439 322e 3536 2c2d 3233 312e 3438   2492.56,-231.48\n-00018430: 2032 3436 352e 3236 2c2d 3236 322e 3732   2465.26,-262.72\n-00018440: 2032 3435 362e 3634 2c2d 3236 392e 3331   2456.64,-269.31\n-00018450: 2032 3432 332e 3536 2c2d 3239 342e 3335   2423.56,-294.35\n-00018460: 2032 3333 342e 3337 2c2d 3336 312e 3835   2334.37,-361.85\n-00018470: 2032 3330 392e 3831 2c2d 3337 392e 3537   2309.81,-379.57\n-00018480: 2032 3230 352e 3536 2c2d 3432 302e 3039   2205.56,-420.09\n-00018490: 2032 3135 352e 382c 2d34 3339 2e34 3320   2155.8,-439.43 \n-000184a0: 3230 3935 2e37 332c 2d34 3533 2e31 3920  2095.73,-453.19 \n-000184b0: 3230 3536 2e34 312c 2d34 3630 2e39 3922  2056.41,-460.99\"\n-000184c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000184d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-000184e0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-000184f0: 7473 3d22 3230 3535 2e35 342c 2d34 3537  ts=\"2055.54,-457\n-00018500: 2e35 3920 3230 3436 2e33 392c 2d34 3632  .59 2046.39,-462\n-00018510: 2e39 3320 3230 3536 2e38 382c 2d34 3634  .93 2056.88,-464\n-00018520: 2e34 3620 3230 3535 2e35 342c 2d34 3537  .46 2055.54,-457\n-00018530: 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .59\"/>.</g>.<!--\n-00018540: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00018550: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-00018560: 616d 6963 7326 2334 353b 2667 743b 6d6f  amics&#45;&gt;mo\n-00018570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00018580: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n-00018590: 643d 2265 6467 6531 3438 2220 636c 6173  d=\"edge148\" clas\n-000185a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000185b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000185c0: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-000185d0: 616d 6963 7326 2334 353b 2667 743b 6d6f  amics&#45;&gt;mo\n-000185e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000185f0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n-00018600: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00018610: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00018620: 6622 2064 3d22 4d32 3535 372e 342c 2d31  f\" d=\"M2557.4,-1\n-00018630: 3638 2e35 3743 3235 3737 2e36 312c 2d31  68.57C2577.61,-1\n-00018640: 3839 2e34 3920 3236 3134 2e35 362c 2d32  89.49 2614.56,-2\n-00018650: 3334 2e30 3120 3236 3134 2e35 362c 2d32  34.01 2614.56,-2\n-00018660: 3739 2e39 3220 3236 3134 2e35 362c 2d33  79.92 2614.56,-3\n-00018670: 3434 2e37 3920 3236 3134 2e35 362c 2d33  44.79 2614.56,-3\n-00018680: 3434 2e37 3920 3236 3134 2e35 362c 2d33  44.79 2614.56,-3\n-00018690: 3434 2e37 3920 3236 3134 2e35 362c 2d36  44.79 2614.56,-6\n-000186a0: 3336 2e36 3920 3234 3231 2e36 362c 2d37  36.69 2421.66,-7\n-000186b0: 3236 2e31 3720 3231 3338 2e35 362c 2d37  26.17 2138.56,-7\n-000186c0: 3937 2e33 3120 3139 3239 2e33 362c 2d38  97.31 1929.36,-8\n-000186d0: 3439 2e38 3820 3138 3639 2e34 322c 2d38  49.88 1869.42,-8\n-000186e0: 3134 2e32 3820 3136 3534 2e35 362c 2d38  14.28 1654.56,-8\n-000186f0: 3333 2e33 3120 3136 3237 2e36 322c 2d38  33.31 1627.62,-8\n-00018700: 3335 2e37 2031 3539 372e 3336 2c2d 3833  35.7 1597.36,-83\n-00018710: 382e 3831 2031 3537 332e 3834 2c2d 3834  8.81 1573.84,-84\n-00018720: 312e 3332 222f 3e0a 3c70 6f6c 7967 6f6e  1.32\"/>.<polygon\n-00018730: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00018740: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00018750: 2070 6f69 6e74 733d 2231 3537 332e 3434   points=\"1573.44\n-00018760: 2c2d 3833 372e 3834 2031 3536 332e 3837  ,-837.84 1563.87\n-00018770: 2c2d 3834 322e 3339 2031 3537 342e 3139  ,-842.39 1574.19\n-00018780: 2c2d 3834 342e 3820 3135 3733 2e34 342c  ,-844.8 1573.44,\n-00018790: 2d38 3337 2e38 3422 2f3e 0a3c 2f67 3e0a  -837.84\"/>.</g>.\n-000187a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000187b0: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n-000187c0: 6c64 796e 616d 6963 7326 2334 353b 2667  ldynamics&#45;&g\n-000187d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000187e0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-000187f0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00018800: 6531 3530 2220 636c 6173 733d 2265 6467  e150\" class=\"edg\n-00018810: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00018820: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n-00018830: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n-00018840: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00018850: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00018860: 7574 696c 6974 793c 2f74 6974 6c65 3e0a  utility</title>.\n-00018870: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00018880: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00018890: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-000188a0: 7261 793d 2235 2c32 2220 643d 224d 3235  ray=\"5,2\" d=\"M25\n-000188b0: 3732 2e31 332c 2d31 3637 2e35 3943 3236  72.13,-167.59C26\n-000188c0: 3130 2e32 392c 2d31 3835 2e34 3420 3236  10.29,-185.44 26\n-000188d0: 3734 2e35 362c 2d32 3233 2e38 3320 3236  74.56,-223.83 26\n-000188e0: 3734 2e35 362c 2d32 3739 2e39 3220 3236  74.56,-279.92 26\n-000188f0: 3734 2e35 362c 2d34 3037 2e36 3620 3236  74.56,-407.66 26\n-00018900: 3734 2e35 362c 2d34 3037 2e36 3620 3236  74.56,-407.66 26\n-00018910: 3734 2e35 362c 2d34 3037 2e36 3620 3236  74.56,-407.66 26\n-00018920: 3734 2e35 362c 2d36 3030 2e33 3320 3236  74.56,-600.33 26\n-00018930: 3132 2e38 312c 2d36 3533 2e35 3320 3234  12.81,-653.53 24\n-00018940: 3834 2e35 362c 2d37 3937 2e33 3120 3234  84.56,-797.31 24\n-00018950: 3537 2e35 392c 2d38 3237 2e35 3420 3234  57.59,-827.54 24\n-00018960: 3535 2e31 2c2d 3834 322e 3638 2032 3431  55.1,-842.68 241\n-00018970: 382e 3536 2c2d 3836 302e 3138 2032 3336  8.56,-860.18 236\n-00018980: 352e 3333 2c2d 3838 352e 3638 2032 3139  5.33,-885.68 219\n-00018990: 382e 3636 2c2d 3839 392e 3633 2032 3131  8.66,-899.63 211\n-000189a0: 302e 3531 2c2d 3930 352e 3422 2f3e 0a3c  0.51,-905.4\"/>.<\n-000189b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-000189c0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-000189d0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-000189e0: 3231 3130 2e31 382c 2d39 3031 2e39 3120  2110.18,-901.91 \n-000189f0: 3231 3030 2e34 322c 2d39 3036 2e30 3520  2100.42,-906.05 \n-00018a00: 3231 3130 2e36 332c 2d39 3038 2e39 2032  2110.63,-908.9 2\n-00018a10: 3131 302e 3138 2c2d 3930 312e 3931 222f  110.18,-901.91\"/\n-00018a20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00018a30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00018a40: 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 2069  opology -->.<g i\n-00018a50: 643d 226e 6f64 6532 3822 2063 6c61 7373  d=\"node28\" class\n-00018a60: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00018a70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00018a80: 6373 5f74 6f70 6f6c 6f67 793c 2f74 6974  cs_topology</tit\n-00018a90: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c  le>.<ellipse fil\n-00018aa0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00018ab0: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n-00018ac0: 3933 382e 3536 2220 6379 3d22 2d38 3436  938.56\" cy=\"-846\n-00018ad0: 2e37 3522 2072 783d 2233 372e 3435 2220  .75\" rx=\"37.45\" \n-00018ae0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n-00018af0: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n-00018b00: 6d69 6464 6c65 2220 783d 2231 3933 382e  middle\" x=\"1938.\n-00018b10: 3536 2220 793d 222d 3834 342e 3235 2220  56\" y=\"-844.25\" \n-00018b20: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-00018b30: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-00018b40: 3d22 3130 2e30 3022 3e74 6f70 6f6c 6f67  =\"10.00\">topolog\n-00018b50: 793c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  y</text>.</g>.<!\n-00018b60: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00018b70: 6f6d 6163 735f 746f 706f 6c6f 6779 2623  omacs_topology&#\n-00018b80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00018b90: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00018ba0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-00018bb0: 6531 3532 2220 636c 6173 733d 2265 6467  e152\" class=\"edg\n-00018bc0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00018bd0: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n-00018be0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d  pology&#45;&gt;m\n-00018bf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00018c00: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n-00018c10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00018c20: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00018c30: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00018c40: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00018c50: 3139 3132 2e33 312c 2d38 3337 2e31 3543  1912.31,-837.15C\n-00018c60: 3138 3830 2e30 392c 2d38 3236 2e36 3120  1880.09,-826.61 \n-00018c70: 3138 3235 2e32 382c 2d38 3038 2e36 3720  1825.28,-808.67 \n-00018c80: 3137 3838 2e39 392c 2d37 3936 2e38 222f  1788.99,-796.8\"/\n-00018c90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00018ca0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00018cb0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-00018cc0: 733d 2231 3738 392e 3838 2c2d 3739 332e  s=\"1789.88,-793.\n-00018cd0: 3431 2031 3737 392e 3238 2c2d 3739 332e  41 1779.28,-793.\n-00018ce0: 3632 2031 3738 372e 372c 2d38 3030 2e30  62 1787.7,-800.0\n-00018cf0: 3620 3137 3839 2e38 382c 2d37 3933 2e34  6 1789.88,-793.4\n-00018d00: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-00018d10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00018d20: 735f 746f 706f 6c6f 6779 2623 3435 3b26  s_topology&#45;&\n-00018d30: 6774 3b6d 6f64 756c 655f 7372 635f 7465  gt;module_src_te\n-00018d40: 7374 7574 696c 7320 2d2d 3e0a 3c67 2069  stutils -->.<g i\n-00018d50: 643d 2265 6467 6531 3533 2220 636c 6173  d=\"edge153\" clas\n-00018d60: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00018d70: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00018d80: 6163 735f 746f 706f 6c6f 6779 2623 3435  acs_topology&#45\n-00018d90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00018da0: 7465 7374 7574 696c 733c 2f74 6974 6c65  testutils</title\n-00018db0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00018dc0: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n-00018dd0: 2064 3d22 4d31 3936 392e 3931 2c2d 3835   d=\"M1969.91,-85\n-00018de0: 342e 3235 4332 3130 352e 3931 2c2d 3838  4.25C2105.91,-88\n-00018df0: 322e 3438 2032 3634 342e 392c 2d39 3934  2.48 2644.9,-994\n-00018e00: 2e33 3620 3237 3937 2e32 352c 2d31 3032  .36 2797.25,-102\n-00018e10: 352e 3939 222f 3e0a 3c70 6f6c 7967 6f6e  5.99\"/>.<polygon\n-00018e20: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-00018e30: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00018e40: 2232 3739 362e 3633 2c2d 3130 3239 2e34  \"2796.63,-1029.4\n-00018e50: 3320 3238 3037 2e31 332c 2d31 3032 382e  3 2807.13,-1028.\n-00018e60: 3034 2032 3739 382e 3035 2c2d 3130 3232  04 2798.05,-1022\n-00018e70: 2e35 3820 3237 3936 2e36 332c 2d31 3032  .58 2796.63,-102\n-00018e80: 392e 3433 222f 3e0a 3c2f 673e 0a3c 212d  9.43\"/>.</g>.<!-\n-00018e90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00018ea0: 6d61 6373 5f6d 6174 6826 2334 353b 2667  macs_math&#45;&g\n-00018eb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00018ec0: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a  macs_mdspan -->.\n-00018ed0: 3c67 2069 643d 2265 6467 6531 3534 2220  <g id=\"edge154\" \n-00018ee0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00018ef0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00018f00: 6772 6f6d 6163 735f 6d61 7468 2623 3435  gromacs_math&#45\n-00018f10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00018f20: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f  gromacs_mdspan</\n-00018f30: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00018f40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00018f50: 2272 6564 2220 643d 224d 3330 392e 3231  \"red\" d=\"M309.21\n-00018f60: 2c2d 3134 312e 3836 4333 3132 2e30 382c  ,-141.86C312.08,\n-00018f70: 2d31 3334 2e32 3920 3331 352e 3833 2c2d  -134.29 315.83,-\n-00018f80: 3132 342e 3336 2033 3139 2e31 392c 2d31  124.36 319.19,-1\n-00018f90: 3135 2e34 3622 2f3e 0a3c 706f 6c79 676f  15.46\"/>.<polygo\n-00018fa0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-00018fb0: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-00018fc0: 3d22 3332 322e 3439 2c2d 3131 362e 3632  =\"322.49,-116.62\n-00018fd0: 2033 3232 2e37 352c 2d31 3036 2e30 3220   322.75,-106.02 \n-00018fe0: 3331 352e 3935 2c2d 3131 342e 3134 2033  315.95,-114.14 3\n-00018ff0: 3232 2e34 392c 2d31 3136 2e36 3222 2f3e  22.49,-116.62\"/>\n-00019000: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00019010: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00019020: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n-00019030: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00019040: 636f 7272 656c 6174 696f 6e66 756e 6374  correlationfunct\n-00019050: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22  ions -->.<g id=\"\n-00019060: 6564 6765 3135 3922 2063 6c61 7373 3d22  edge159\" class=\"\n-00019070: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00019080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00019090: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-000190a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000190b0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675  cs_correlationfu\n-000190c0: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a  nctions</title>.\n-000190d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000190e0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-000190f0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00019100: 7261 793d 2235 2c32 2220 643d 224d 3739  ray=\"5,2\" d=\"M79\n-00019110: 352e 3237 2c2d 3130 3233 2e35 3743 3738  5.27,-1023.57C78\n-00019120: 312e 3933 2c2d 3130 3134 2e36 3520 3736  1.93,-1014.65 76\n-00019130: 332e 3539 2c2d 3130 3031 2e30 3220 3735  3.59,-1001.02 75\n-00019140: 302e 3536 2c2d 3938 352e 3932 2036 3832  0.56,-985.92 682\n-00019150: 2e32 312c 2d39 3036 2e37 3620 3632 392e  .21,-906.76 629.\n-00019160: 372c 2d37 3931 2e37 3520 3630 392e 3533  7,-791.75 609.53\n-00019170: 2c2d 3734 342e 3033 222f 3e0a 3c70 6f6c  ,-744.03\"/>.<pol\n-00019180: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00019190: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-000191a0: 6663 6322 2070 6f69 6e74 733d 2236 3132  fcc\" points=\"612\n-000191b0: 2e37 2c2d 3734 322e 3533 2036 3035 2e36  .7,-742.53 605.6\n-000191c0: 322c 2d37 3334 2e36 3520 3630 362e 3234  2,-734.65 606.24\n-000191d0: 2c2d 3734 352e 3233 2036 3132 2e37 2c2d  ,-745.23 612.7,-\n-000191e0: 3734 322e 3533 222f 3e0a 3c2f 673e 0a3c  742.53\"/>.</g>.<\n-000191f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00019200: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n-00019210: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00019220: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-00019230: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00019240: 3136 3622 2063 6c61 7373 3d22 6564 6765  166\" class=\"edge\n-00019250: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00019260: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00019270: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n-00019280: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00019290: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n-000192a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000192b0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-000192c0: 2220 643d 224d 3834 372e 3539 2c2d 3130  \" d=\"M847.59,-10\n-000192d0: 3333 2e31 3543 3935 312e 3637 2c2d 3130  33.15C951.67,-10\n-000192e0: 3239 2e32 3520 3132 3537 2e36 352c 2d31  29.25 1257.65,-1\n-000192f0: 3031 352e 3533 2031 3335 322e 3536 2c2d  015.53 1352.56,-\n-00019300: 3938 352e 3932 2031 3436 302e 3831 2c2d  985.92 1460.81,-\n-00019310: 3935 322e 3135 2031 3438 352e 3537 2c2d  952.15 1485.57,-\n-00019320: 3933 302e 3435 2031 3537 342e 3536 2c2d  930.45 1574.56,-\n-00019330: 3836 302e 3138 2031 3538 372e 3336 2c2d  860.18 1587.36,-\n-00019340: 3835 302e 3037 2031 3538 352e 3737 2c2d  850.07 1585.77,-\n-00019350: 3834 322e 3033 2031 3539 392e 3536 2c2d  842.03 1599.56,-\n-00019360: 3833 332e 3331 2031 3631 382e 3533 2c2d  833.31 1618.53,-\n-00019370: 3832 312e 3331 2031 3637 342e 3231 2c2d  821.31 1674.21,-\n-00019380: 3830 352e 3233 2031 3731 322e 3839 2c2d  805.23 1712.89,-\n-00019390: 3739 342e 3936 222f 3e0a 3c70 6f6c 7967  794.96\"/>.<polyg\n-000193a0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-000193b0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-000193c0: 6622 2070 6f69 6e74 733d 2231 3731 342e  f\" points=\"1714.\n-000193d0: 3034 2c2d 3739 382e 3238 2031 3732 322e  04,-798.28 1722.\n-000193e0: 3832 2c2d 3739 322e 3335 2031 3731 322e  82,-792.35 1712.\n-000193f0: 3236 2c2d 3739 312e 3531 2031 3731 342e  26,-791.51 1714.\n-00019400: 3034 2c2d 3739 382e 3238 222f 3e0a 3c2f  04,-798.28\"/>.</\n-00019410: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00019420: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n-00019430: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n-00019440: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-00019450: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720  mandline -->.<g \n-00019460: 6964 3d22 6564 6765 3135 3522 2063 6c61  id=\"edge155\" cla\n-00019470: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00019480: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00019490: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-000194a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000194b0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-000194c0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n-000194d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000194e0: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-000194f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00019500: 3222 2064 3d22 4d38 3131 2e32 2c2d 3130  2\" d=\"M811.2,-10\n-00019510: 3231 2e36 3143 3830 352e 3335 2c2d 3937  21.61C805.35,-97\n-00019520: 332e 3239 2037 3738 2e30 382c 2d37 3939  3.29 778.08,-799\n-00019530: 2e34 3720 3638 302e 3536 2c2d 3730 372e  .47 680.56,-707.\n-00019540: 3537 2036 3434 2e30 342c 2d36 3733 2e31  57 644.04,-673.1\n-00019550: 3620 3631 342e 3939 2c2d 3639 392e 3837  6 614.99,-699.87\n-00019560: 2035 3733 2e35 362c 2d36 3731 2e35 3720   573.56,-671.57 \n-00019570: 3533 372e 3533 2c2d 3634 362e 3936 2035  537.53,-646.96 5\n-00019580: 3130 2e35 362c 2d36 3339 2e39 2035 3130  10.56,-639.9 510\n-00019590: 2e35 362c 2d35 3936 2e32 3720 3531 302e  .56,-596.27 510.\n-000195a0: 3536 2c2d 3539 362e 3237 2035 3130 2e35  56,-596.27 510.5\n-000195b0: 362c 2d35 3936 2e32 3720 3531 302e 3536  6,-596.27 510.56\n-000195c0: 2c2d 3237 392e 3932 2035 3130 2e35 362c  ,-279.92 510.56,\n-000195d0: 2d31 3330 2e31 3820 3130 3533 2e36 372c  -130.18 1053.67,\n-000195e0: 2d31 3030 2e34 3720 3132 3430 2e33 392c  -100.47 1240.39,\n-000195f0: 2d39 342e 3638 222f 3e0a 3c70 6f6c 7967  -94.68\"/>.<polyg\n-00019600: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n-00019610: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n-00019620: 6f69 6e74 733d 2231 3234 302e 372c 2d39  oints=\"1240.7,-9\n-00019630: 382e 3137 2031 3235 302e 3539 2c2d 3934  8.17 1250.59,-94\n-00019640: 2e33 3720 3132 3430 2e34 392c 2d39 312e  .37 1240.49,-91.\n-00019650: 3137 2031 3234 302e 372c 2d39 382e 3137  17 1240.7,-98.17\n-00019660: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00019670: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00019680: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-00019690: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000196a0: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67  cs_fileio -->.<g\n-000196b0: 2069 643d 2265 6467 6531 3536 2220 636c   id=\"edge156\" cl\n-000196c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000196d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000196e0: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n-000196f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00019700: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-00019710: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00019720: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00019730: 2223 6266 6266 6266 2220 643d 224d 3834  \"#bfbfbf\" d=\"M84\n-00019740: 372e 3635 2c2d 3130 3333 2e31 3443 3933  7.65,-1033.14C93\n-00019750: 332e 3832 2c2d 3130 3239 2e37 2031 3135  3.82,-1029.7 115\n-00019760: 332e 3532 2c2d 3130 3137 2e39 3520 3132  3.52,-1017.95 12\n-00019770: 3138 2e35 362c 2d39 3835 2e39 3220 3132  18.56,-985.92 12\n-00019780: 3930 2e38 352c 2d39 3530 2e33 3220 3134  90.85,-950.32 14\n-00019790: 3431 2e32 372c 2d37 3435 2e31 3120 3134  41.27,-745.11 14\n-000197a0: 3838 2e32 342c 2d36 3739 2e33 3822 2f3e  88.24,-679.38\"/>\n-000197b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000197c0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-000197d0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-000197e0: 3d22 3134 3931 2e32 312c 2d36 3831 2e32  =\"1491.21,-681.2\n-000197f0: 3420 3134 3934 2e31 362c 2d36 3731 2e30  4 1494.16,-671.0\n-00019800: 3720 3134 3835 2e35 312c 2d36 3737 2e31  7 1485.51,-677.1\n-00019810: 3820 3134 3931 2e32 312c 2d36 3831 2e32  8 1491.21,-681.2\n-00019820: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n-00019830: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00019840: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n-00019850: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00019860: 6163 735f 7374 6174 6973 7469 6373 202d  acs_statistics -\n-00019870: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n-00019880: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n-00019890: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000198a0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n-000198b0: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n-000198c0: 5f73 7263 5f67 726f 6d61 6373 5f73 7461  _src_gromacs_sta\n-000198d0: 7469 7374 6963 733c 2f74 6974 6c65 3e0a  tistics</title>.\n-000198e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000198f0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00019900: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00019910: 7261 793d 2235 2c32 2220 643d 224d 3831  ray=\"5,2\" d=\"M81\n-00019920: 382e 3837 2c2d 3130 3232 2e30 3243 3834  8.87,-1022.02C84\n-00019930: 302e 3232 2c2d 3938 312e 3333 2039 3133  0.22,-981.33 913\n-00019940: 2e36 2c2d 3834 392e 3431 2031 3030 362e  .6,-849.41 1006.\n-00019950: 3536 2c2d 3737 302e 3434 2031 3032 342e  56,-770.44 1024.\n-00019960: 332c 2d37 3535 2e33 3720 3130 3437 2e35  3,-755.37 1047.5\n-00019970: 342c 2d37 3433 2e34 3220 3130 3636 2e35  4,-743.42 1066.5\n-00019980: 392c 2d37 3335 2e31 3622 2f3e 0a3c 706f  9,-735.16\"/>.<po\n-00019990: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-000199a0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-000199b0: 3266 6363 2220 706f 696e 7473 3d22 3130  2fcc\" points=\"10\n-000199c0: 3637 2e39 362c 2d37 3338 2e33 3720 3130  67.96,-738.37 10\n-000199d0: 3735 2e38 342c 2d37 3331 2e32 3920 3130  75.84,-731.29 10\n-000199e0: 3635 2e32 362c 2d37 3331 2e39 3220 3130  65.26,-731.92 10\n-000199f0: 3637 2e39 362c 2d37 3338 2e33 3722 2f3e  67.96,-738.37\"/>\n-00019a00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00019a10: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00019a20: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n-00019a30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00019a40: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d  mdlib -->.<g id=\n-00019a50: 2265 6467 6531 3537 2220 636c 6173 733d  \"edge157\" class=\n-00019a60: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00019a70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00019a80: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n-00019a90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00019aa0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65  acs_mdlib</title\n-00019ab0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00019ac0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00019ad0: 6662 6622 2064 3d22 4d38 3432 2e32 382c  fbf\" d=\"M842.28,\n-00019ae0: 2d31 3032 382e 3033 4339 3235 2e33 2c2d  -1028.03C925.3,-\n-00019af0: 3130 3038 2e38 3120 3131 3631 2e37 322c  1008.81 1161.72,\n-00019b00: 2d39 3433 2e32 3820 3132 3836 2e35 362c  -943.28 1286.56,\n-00019b10: 2d37 3937 2e33 3120 3133 3133 2e31 322c  -797.31 1313.12,\n-00019b20: 2d37 3636 2e32 3620 3133 3135 2e32 322c  -766.26 1315.22,\n-00019b30: 2d37 3437 2e35 3120 3133 3036 2e35 362c  -747.51 1306.56,\n-00019b40: 2d37 3037 2e35 3720 3132 3936 2e33 332c  -707.57 1296.33,\n-00019b50: 2d36 3630 2e33 3920 3132 3731 2e37 392c  -660.39 1271.79,\n-00019b60: 2d36 3535 2e38 3820 3132 3631 2e35 362c  -655.88 1261.56,\n-00019b70: 2d36 3038 2e37 2031 3234 342e 3932 2c2d  -608.7 1244.92,-\n-00019b80: 3533 312e 3935 2031 3238 372e 3231 2c2d  531.95 1287.21,-\n-00019b90: 3330 392e 3520 3133 3533 2e35 362c 2d32  309.5 1353.56,-2\n-00019ba0: 3637 2e34 3820 3134 3130 2e38 2c2d 3233  67.48 1410.8,-23\n-00019bb0: 312e 3233 2031 3631 352e 3431 2c2d 3232  1.23 1615.41,-22\n-00019bc0: 322e 3035 2031 3730 312e 3233 2c2d 3231  2.05 1701.23,-21\n-00019bd0: 392e 3738 222f 3e0a 3c70 6f6c 7967 6f6e  9.78\"/>.<polygon\n-00019be0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00019bf0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00019c00: 2070 6f69 6e74 733d 2231 3730 312e 3432   points=\"1701.42\n-00019c10: 2c2d 3232 332e 3237 2031 3731 312e 3333  ,-223.27 1711.33\n-00019c20: 2c2d 3231 392e 3533 2031 3730 312e 3235  ,-219.53 1701.25\n-00019c30: 2c2d 3231 362e 3237 2031 3730 312e 3432  ,-216.27 1701.42\n-00019c40: 2c2d 3232 332e 3237 222f 3e0a 3c2f 673e  ,-223.27\"/>.</g>\n-00019c50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00019c60: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n-00019c70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00019c80: 7263 5f67 726f 6d61 6373 5f66 6674 202d  rc_gromacs_fft -\n-00019c90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n-00019ca0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-00019cb0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00019cc0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n-00019cd0: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n-00019ce0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674  _src_gromacs_fft\n-00019cf0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00019d00: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00019d10: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n-00019d20: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00019d30: 2064 3d22 4d37 3737 2e33 2c2d 3130 3333   d=\"M777.3,-1033\n-00019d40: 2e32 3443 3637 312e 3031 2c2d 3130 3239  .24C671.01,-1029\n-00019d50: 2e35 3420 3335 382e 3932 2c2d 3130 3136  .54 358.92,-1016\n-00019d60: 2e31 3720 3332 352e 3536 2c2d 3938 352e  .17 325.56,-985.\n-00019d70: 3932 2033 3030 2e32 382c 2d39 3632 2e39  92 300.28,-962.9\n-00019d80: 3920 3331 302e 3536 2c2d 3934 342e 3734  9 310.56,-944.74\n-00019d90: 2033 3130 2e35 362c 2d39 3130 2e36 3220   310.56,-910.62 \n-00019da0: 3331 302e 3536 2c2d 3931 302e 3632 2033  310.56,-910.62 3\n-00019db0: 3130 2e35 362c 2d39 3130 2e36 3220 3331  10.56,-910.62 31\n-00019dc0: 302e 3536 2c2d 3334 322e 3739 2033 3130  0.56,-342.79 310\n-00019dd0: 2e35 362c 2d33 3036 2e36 3420 3239 392e  .56,-306.64 299.\n-00019de0: 3831 2c2d 3236 352e 3831 2032 3932 2e31  81,-265.81 292.1\n-00019df0: 332c 2d32 3431 2e32 3722 2f3e 0a3c 706f  3,-241.27\"/>.<po\n-00019e00: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163  lygon fill=\"blac\n-00019e10: 6b22 2073 7472 6f6b 653d 2262 6c61 636b  k\" stroke=\"black\n-00019e20: 2220 706f 696e 7473 3d22 3239 352e 3338  \" points=\"295.38\n-00019e30: 2c2d 3233 392e 3935 2032 3838 2e39 372c  ,-239.95 288.97,\n-00019e40: 2d32 3331 2e35 3120 3238 382e 3732 2c2d  -231.51 288.72,-\n-00019e50: 3234 322e 3120 3239 352e 3338 2c2d 3233  242.1 295.38,-23\n-00019e60: 392e 3935 222f 3e0a 3c2f 673e 0a3c 212d  9.95\"/>.</g>.<!-\n-00019e70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00019e80: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-00019e90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00019ea0: 726f 6d61 6373 5f6d 6473 7061 6e20 2d2d  romacs_mdspan --\n-00019eb0: 3e0a 3c67 2069 643d 2265 6467 6531 3631  >.<g id=\"edge161\n-00019ec0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00019ed0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00019ee0: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n-00019ef0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00019f00: 7372 635f 6772 6f6d 6163 735f 6d64 7370  src_gromacs_mdsp\n-00019f10: 616e 3c2f 7469 746c 653e 0a3c 7061 7468  an</title>.<path\n-00019f20: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00019f30: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00019f40: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00019f50: 352c 3222 2064 3d22 4d37 3738 2e30 372c  5,2\" d=\"M778.07,\n-00019f60: 2d31 3033 322e 3034 4336 3832 2e35 342c  -1032.04C682.54,\n-00019f70: 2d31 3032 352e 3420 3431 392e 3236 2c2d  -1025.4 419.26,-\n-00019f80: 3130 3035 2e35 3120 3338 352e 3536 2c2d  1005.51 385.56,-\n-00019f90: 3938 352e 3932 2033 3439 2e37 332c 2d39  985.92 349.73,-9\n-00019fa0: 3635 2e31 2033 3330 2e35 362c 2d39 3532  65.1 330.56,-952\n-00019fb0: 2e30 3620 3333 302e 3536 2c2d 3931 302e  .06 330.56,-910.\n-00019fc0: 3632 2033 3330 2e35 362c 2d39 3130 2e36  62 330.56,-910.6\n-00019fd0: 3220 3333 302e 3536 2c2d 3931 302e 3632  2 330.56,-910.62\n-00019fe0: 2033 3330 2e35 362c 2d32 3739 2e39 3220   330.56,-279.92 \n-00019ff0: 3333 302e 3536 2c2d 3231 382e 3334 2033  330.56,-218.34 3\n-0001a000: 3438 2e36 312c 2d32 3032 2e37 3820 3334  48.61,-202.78 34\n-0001a010: 302e 3536 2c2d 3134 312e 3734 2033 3339  0.56,-141.74 339\n-0001a020: 2e34 322c 2d31 3333 2e31 2033 3337 2e31  .42,-133.1 337.1\n-0001a030: 382c 2d31 3233 2e38 3120 3333 342e 3838  8,-123.81 334.88\n-0001a040: 2c2d 3131 352e 3722 2f3e 0a3c 706f 6c79  ,-115.7\"/>.<poly\n-0001a050: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-0001a060: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-0001a070: 6363 2220 706f 696e 7473 3d22 3333 382e  cc\" points=\"338.\n-0001a080: 3135 2c2d 3131 342e 3432 2033 3331 2e39  15,-114.42 331.9\n-0001a090: 312c 2d31 3035 2e38 3720 3333 312e 3435  1,-105.87 331.45\n-0001a0a0: 2c2d 3131 362e 3435 2033 3338 2e31 352c  ,-116.45 338.15,\n-0001a0b0: 2d31 3134 2e34 3222 2f3e 0a3c 2f67 3e0a  -114.42\"/>.</g>.\n-0001a0c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001a0d0: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0001a0e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001a0f0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-0001a100: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n-0001a110: 6564 6765 3135 3822 2063 6c61 7373 3d22  edge158\" class=\"\n-0001a120: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001a130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001a140: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0001a150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001a160: 6373 5f74 7261 6a65 6374 6f72 793c 2f74  cs_trajectory</t\n-0001a170: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001a180: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001a190: 2362 6662 6662 6622 2064 3d22 4d37 3737  #bfbfbf\" d=\"M777\n-0001a1a0: 2e38 332c 2d31 3033 322e 3534 4336 3730  .83,-1032.54C670\n-0001a1b0: 2e33 392c 2d31 3032 352e 3939 2033 3530  .39,-1025.99 350\n-0001a1c0: 2e35 362c 2d39 3939 2e30 3520 3335 302e  .56,-999.05 350.\n-0001a1d0: 3536 2c2d 3931 302e 3632 2033 3530 2e35  56,-910.62 350.5\n-0001a1e0: 362c 2d39 3130 2e36 3220 3335 302e 3536  6,-910.62 350.56\n-0001a1f0: 2c2d 3931 302e 3632 2033 3530 2e35 362c  ,-910.62 350.56,\n-0001a200: 2d38 3435 2e37 3520 3335 302e 3536 2c2d  -845.75 350.56,-\n-0001a210: 3736 302e 3932 2033 3930 2e35 362c 2d37  760.92 390.56,-7\n-0001a220: 3433 2e39 3620 3339 302e 3536 2c2d 3635  43.96 390.56,-65\n-0001a230: 392e 3134 2033 3930 2e35 362c 2d36 3539  9.14 390.56,-659\n-0001a240: 2e31 3420 3339 302e 3536 2c2d 3635 392e  .14 390.56,-659.\n-0001a250: 3134 2033 3930 2e35 362c 2d34 3035 2e36  14 390.56,-405.6\n-0001a260: 3620 3339 302e 3536 2c2d 3331 342e 3936  6 390.56,-314.96\n-0001a270: 2033 3936 2e36 352c 2d32 3930 2e35 3820   396.65,-290.58 \n-0001a280: 3432 352e 3536 2c2d 3230 342e 3631 2034  425.56,-204.61 4\n-0001a290: 3238 2e36 382c 2d31 3935 2e33 3320 3433  28.68,-195.33 43\n-0001a2a0: 332e 3337 2c2d 3138 352e 3633 2034 3337  3.37,-185.63 437\n-0001a2b0: 2e38 342c 2d31 3737 2e33 3822 2f3e 0a3c  .84,-177.38\"/>.<\n-0001a2c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-0001a2d0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-0001a2e0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-0001a2f0: 3434 312e 3031 2c2d 3137 382e 3839 2034  441.01,-178.89 4\n-0001a300: 3432 2e38 392c 2d31 3638 2e34 3620 3433  42.89,-168.46 43\n-0001a310: 342e 3931 2c2d 3137 352e 3434 2034 3431  4.91,-175.44 441\n-0001a320: 2e30 312c 2d31 3738 2e38 3922 2f3e 0a3c  .01,-178.89\"/>.<\n-0001a330: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001a340: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-0001a350: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n-0001a360: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-0001a370: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n-0001a380: 6564 6765 3136 3222 2063 6c61 7373 3d22  edge162\" class=\"\n-0001a390: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001a3a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001a3b0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0001a3c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001a3d0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-0001a3e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001a3f0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-0001a400: 6662 6622 2064 3d22 4d38 3437 2e35 382c  fbf\" d=\"M847.58,\n-0001a410: 2d31 3033 332e 3135 4339 3437 2e32 382c  -1033.15C947.28,\n-0001a420: 2d31 3032 392e 3338 2031 3233 312e 312c  -1029.38 1231.1,\n-0001a430: 2d31 3031 362e 3220 3133 3138 2e35 362c  -1016.2 1318.56,\n-0001a440: 2d39 3835 2e39 3220 3133 3937 2e33 362c  -985.92 1397.36,\n-0001a450: 2d39 3538 2e36 3420 3134 3736 2e33 332c  -958.64 1476.33,\n-0001a460: 2d38 3936 2e39 3520 3135 3132 2e37 362c  -896.95 1512.76,\n-0001a470: 2d38 3636 2e30 3722 2f3e 0a3c 706f 6c79  -866.07\"/>.<poly\n-0001a480: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-0001a490: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-0001a4a0: 6266 2220 706f 696e 7473 3d22 3135 3135  bf\" points=\"1515\n-0001a4b0: 2e33 372c 2d38 3638 2e34 3420 3135 3230  .37,-868.44 1520\n-0001a4c0: 2e36 372c 2d38 3539 2e32 3720 3135 3130  .67,-859.27 1510\n-0001a4d0: 2e38 312c 2d38 3633 2e31 3320 3135 3135  .81,-863.13 1515\n-0001a4e0: 2e33 372c 2d38 3638 2e34 3422 2f3e 0a3c  .37,-868.44\"/>.<\n-0001a4f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001a500: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-0001a510: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n-0001a520: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n-0001a530: 6e64 6f6d 202d 2d3e 0a3c 6720 6964 3d22  ndom -->.<g id=\"\n-0001a540: 6564 6765 3136 3722 2063 6c61 7373 3d22  edge167\" class=\"\n-0001a550: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001a560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001a570: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0001a580: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001a590: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65  cs_random</title\n-0001a5a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001a5b0: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n-0001a5c0: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n-0001a5d0: 7261 793d 2235 2c32 2220 643d 224d 3739  ray=\"5,2\" d=\"M79\n-0001a5e0: 302e 3436 2c2d 3130 3234 2e38 3143 3731  0.46,-1024.81C71\n-0001a5f0: 312e 3836 2c2d 3938 392e 3220 3435 302e  1.86,-989.2 450.\n-0001a600: 3536 2c2d 3835 362e 3031 2034 3530 2e35  56,-856.01 450.5\n-0001a610: 362c 2d36 3539 2e31 3420 3435 302e 3536  6,-659.14 450.56\n-0001a620: 2c2d 3635 392e 3134 2034 3530 2e35 362c  ,-659.14 450.56,\n-0001a630: 2d36 3539 2e31 3420 3435 302e 3536 2c2d  -659.14 450.56,-\n-0001a640: 3430 352e 3636 2034 3530 2e35 362c 2d32  405.66 450.56,-2\n-0001a650: 3531 2e33 3720 3637 362e 3639 2c2d 3138  51.37 676.69,-18\n-0001a660: 342e 3934 2037 3730 2e35 312c 2d31 3634  4.94 770.51,-164\n-0001a670: 2e30 3122 2f3e 0a3c 706f 6c79 676f 6e20  .01\"/>.<polygon \n-0001a680: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n-0001a690: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n-0001a6a0: 7473 3d22 3737 312e 3435 2c2d 3136 372e  ts=\"771.45,-167.\n-0001a6b0: 3339 2037 3830 2e34 392c 2d31 3631 2e38  39 780.49,-161.8\n-0001a6c0: 3520 3736 392e 3937 2c2d 3136 302e 3535  5 769.97,-160.55\n-0001a6d0: 2037 3731 2e34 352c 2d31 3637 2e33 3922   771.45,-167.39\"\n-0001a6e0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0001a6f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001a700: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n-0001a710: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001a720: 735f 6c69 7374 6564 5f66 6f72 6365 7320  s_listed_forces \n-0001a730: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001a740: 3630 2220 636c 6173 733d 2265 6467 6522  60\" class=\"edge\"\n-0001a750: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001a760: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-0001a770: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n-0001a780: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n-0001a790: 7374 6564 5f66 6f72 6365 733c 2f74 6974  sted_forces</tit\n-0001a7a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0001a7b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0001a7c0: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-0001a7d0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0001a7e0: 224d 3834 372e 332c 2d31 3033 322e 3433  \"M847.3,-1032.43\n-0001a7f0: 4331 3030 342e 3838 2c2d 3130 3233 2e37  C1004.88,-1023.7\n-0001a800: 3120 3136 3533 2e34 362c 2d39 3837 2e38  1 1653.46,-987.8\n-0001a810: 3220 3138 3533 2e35 322c 2d39 3736 2e37  2 1853.52,-976.7\n-0001a820: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-0001a830: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-0001a840: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-0001a850: 696e 7473 3d22 3138 3533 2e37 362c 2d39  ints=\"1853.76,-9\n-0001a860: 3830 2e32 3520 3138 3633 2e35 352c 2d39  80.25 1863.55,-9\n-0001a870: 3736 2e32 2031 3835 332e 3337 2c2d 3937  76.2 1853.37,-97\n-0001a880: 332e 3236 2031 3835 332e 3736 2c2d 3938  3.26 1853.76,-98\n-0001a890: 302e 3235 222f 3e0a 3c2f 673e 0a3c 212d  0.25\"/>.</g>.<!-\n-0001a8a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001a8b0: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-0001a8c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001a8d0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-0001a8e0: 6f72 6365 735f 6177 6820 2d2d 3e0a 3c67  orces_awh -->.<g\n-0001a8f0: 2069 643d 2265 6467 6531 3635 2220 636c   id=\"edge165\" cl\n-0001a900: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0001a910: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0001a920: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n-0001a930: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001a940: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-0001a950: 666f 7263 6573 5f61 7768 3c2f 7469 746c  forces_awh</titl\n-0001a960: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001a970: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0001a980: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0001a990: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0001a9a0: 4d38 3133 2e30 382c 2d31 3032 312e 3538  M813.08,-1021.58\n-0001a9b0: 4338 3134 2e35 322c 2d39 3839 2e36 3520  C814.52,-989.65 \n-0001a9c0: 3831 392e 3231 2c2d 3930 332e 3839 2038  819.21,-903.89 8\n-0001a9d0: 3330 2e35 362c 2d38 3333 2e33 3120 3833  30.56,-833.31 83\n-0001a9e0: 352e 3537 2c2d 3830 322e 3136 2038 3434  5.57,-802.16 844\n-0001a9f0: 2e33 382c 2d37 3636 2e37 3720 3835 302e  .38,-766.77 850.\n-0001aa00: 3335 2c2d 3734 342e 3433 222f 3e0a 3c70  35,-744.43\"/>.<p\n-0001aa10: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-0001aa20: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-0001aa30: 3832 6663 6322 2070 6f69 6e74 733d 2238  82fcc\" points=\"8\n-0001aa40: 3533 2e37 382c 2d37 3435 2e31 3420 3835  53.78,-745.14 85\n-0001aa50: 332e 3031 2c2d 3733 342e 3538 2038 3437  3.01,-734.58 847\n-0001aa60: 2e30 322c 2d37 3433 2e33 3120 3835 332e  .02,-743.31 853.\n-0001aa70: 3738 2c2d 3734 352e 3134 222f 3e0a 3c2f  78,-745.14\"/>.</\n-0001aa80: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-0001aa90: 7263 5f67 726f 6d61 6373 5f6d 696d 6963  rc_gromacs_mimic\n-0001aaa0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001aab0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-0001aac0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n-0001aad0: 6531 3638 2220 636c 6173 733d 2265 6467  e168\" class=\"edg\n-0001aae0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001aaf0: 655f 7372 635f 6772 6f6d 6163 735f 6d69  e_src_gromacs_mi\n-0001ab00: 6d69 6326 2334 353b 2667 743b 6d6f 6475  mic&#45;&gt;modu\n-0001ab10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001ab20: 646c 6962 3c2f 7469 746c 653e 0a3c 7061  dlib</title>.<pa\n-0001ab30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0001ab40: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0001ab50: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-0001ab60: 3d22 352c 3222 2064 3d22 4d31 3733 392e  =\"5,2\" d=\"M1739.\n-0001ab70: 3536 2c2d 3236 372e 3343 3137 3339 2e35  56,-267.3C1739.5\n-0001ab80: 362c 2d32 3539 2e39 3620 3137 3339 2e35  6,-259.96 1739.5\n-0001ab90: 362c 2d32 3530 2e34 3720 3137 3339 2e35  6,-250.47 1739.5\n-0001aba0: 362c 2d32 3431 2e38 3622 2f3e 0a3c 706f  6,-241.86\"/>.<po\n-0001abb0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0001abc0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0001abd0: 3266 6363 2220 706f 696e 7473 3d22 3137  2fcc\" points=\"17\n-0001abe0: 3433 2e30 362c 2d32 3431 2e36 3420 3137  43.06,-241.64 17\n-0001abf0: 3339 2e35 362c 2d32 3331 2e36 3420 3137  39.56,-231.64 17\n-0001ac00: 3336 2e30 362c 2d32 3431 2e36 3420 3137  36.06,-241.64 17\n-0001ac10: 3433 2e30 362c 2d32 3431 2e36 3422 2f3e  43.06,-241.64\"/>\n-0001ac20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0001ac30: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-0001ac40: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-0001ac50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001ac60: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74  programs_mdrun_t\n-0001ac70: 6573 7473 202d 2d3e 0a3c 6720 6964 3d22  ests -->.<g id=\"\n-0001ac80: 6564 6765 3138 3222 2063 6c61 7373 3d22  edge182\" class=\"\n-0001ac90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001aca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001acb0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n-0001acc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001acd0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-0001ace0: 6e5f 7465 7374 733c 2f74 6974 6c65 3e0a  n_tests</title>.\n-0001acf0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001ad00: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n-0001ad10: 3d22 4d31 3030 382e 3035 2c2d 3334 302e  =\"M1008.05,-340.\n-0001ad20: 3031 4338 3339 2c2d 3333 302e 3739 2033  01C839,-330.79 3\n-0001ad30: 3235 2e39 312c 2d32 3937 2e38 3920 3137  25.91,-297.89 17\n-0001ad40: 342e 3536 2c2d 3233 312e 3438 2031 3435  4.56,-231.48 145\n-0001ad50: 2e37 392c 2d32 3138 2e38 3620 3131 392e  .79,-218.86 119.\n-0001ad60: 3139 2c2d 3139 332e 3835 2031 3032 2e37  19,-193.85 102.7\n-0001ad70: 2c2d 3137 362e 3133 222f 3e0a 3c70 6f6c  ,-176.13\"/>.<pol\n-0001ad80: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-0001ad90: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-0001ada0: 6e74 733d 2231 3035 2e31 372c 2d31 3733  nts=\"105.17,-173\n-0001adb0: 2e36 3420 3935 2e38 372c 2d31 3638 2e35  .64 95.87,-168.5\n-0001adc0: 3620 3939 2e39 372c 2d31 3738 2e33 3320  6 99.97,-178.33 \n-0001add0: 3130 352e 3137 2c2d 3137 332e 3634 222f  105.17,-173.64\"/\n-0001ade0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001adf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-0001ae00: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n-0001ae10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001ae20: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n-0001ae30: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n-0001ae40: 6531 3831 2220 636c 6173 733d 2265 6467  e181\" class=\"edg\n-0001ae50: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001ae60: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-0001ae70: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-0001ae80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001ae90: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-0001aea0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001aeb0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001aec0: 653d 2272 6564 2220 643d 224d 3130 3431  e=\"red\" d=\"M1041\n-0001aed0: 2e34 322c 2d33 3536 2e33 4331 3032 362e  .42,-356.3C1026.\n-0001aee0: 3734 2c2d 3336 352e 3034 2031 3030 372e  74,-365.04 1007.\n-0001aef0: 342c 2d33 3738 2e31 3120 3939 332e 3536  4,-378.11 993.56\n-0001af00: 2c2d 3339 332e 3232 2038 3834 2e34 392c  ,-393.22 884.49,\n-0001af10: 2d35 3132 2e32 3420 3836 332e 3933 2c2d  -512.24 863.93,-\n-0001af20: 3535 342e 3836 2038 3131 2e35 362c 2d37  554.86 811.56,-7\n-0001af30: 3037 2e35 3720 3631 342e 3432 2c2d 3132  07.57 614.42,-12\n-0001af40: 3832 2e34 2037 3439 2e33 372c 2d31 3032  82.4 749.37,-102\n-0001af50: 372e 3320 3736 382e 3536 2c2d 3130 3438  7.3 768.56,-1048\n-0001af60: 2e37 3920 3836 372e 3731 2c2d 3131 3539  .79 867.71,-1159\n-0001af70: 2e38 3120 3139 3537 2e33 322c 2d31 3132  .81 1957.32,-112\n-0001af80: 352e 3832 2032 3130 342e 3536 2c2d 3131  5.82 2104.56,-11\n-0001af90: 3437 2e36 3620 3231 3037 2e39 362c 2d31  47.66 2107.96,-1\n-0001afa0: 3134 382e 3137 2032 3131 312e 3437 2c2d  148.17 2111.47,-\n-0001afb0: 3131 3438 2e38 3120 3231 3134 2e39 372c  1148.81 2114.97,\n-0001afc0: 2d31 3134 392e 3533 222f 3e0a 3c70 6f6c  -1149.53\"/>.<pol\n-0001afd0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-0001afe0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-0001aff0: 6e74 733d 2232 3131 342e 3231 2c2d 3131  nts=\"2114.21,-11\n-0001b000: 3532 2e39 3520 3231 3234 2e37 342c 2d31  52.95 2124.74,-1\n-0001b010: 3135 312e 3735 2032 3131 352e 3736 2c2d  151.75 2115.76,-\n-0001b020: 3131 3436 2e31 3220 3231 3134 2e32 312c  1146.12 2114.21,\n-0001b030: 2d31 3135 322e 3935 222f 3e0a 3c2f 673e  -1152.95\"/>.</g>\n-0001b040: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0001b050: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-0001b060: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-0001b070: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001b080: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c  cs_mdtypes -->.<\n-0001b090: 6720 6964 3d22 6564 6765 3137 3122 2063  g id=\"edge171\" c\n-0001b0a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0001b0b0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0001b0c0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-0001b0d0: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n-0001b0e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b0f0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n-0001b100: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001b110: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-0001b120: 6266 2220 643d 224d 3130 3536 2e38 312c  bf\" d=\"M1056.81,\n-0001b130: 2d33 3537 2e34 4331 3033 332e 3233 2c2d  -357.4C1033.23,-\n-0001b140: 3431 312e 3238 2039 3439 2e38 332c 2d36  411.28 949.83,-6\n-0001b150: 3234 2e33 3620 3130 3532 2e35 362c 2d37  24.36 1052.56,-7\n-0001b160: 3334 2e34 3420 3130 3734 2e38 332c 2d37  34.44 1074.83,-7\n-0001b170: 3538 2e33 2031 3535 302e 3435 2c2d 3737  58.3 1550.45,-77\n-0001b180: 362e 3136 2031 3730 342e 3732 2c2d 3738  6.16 1704.72,-78\n-0001b190: 312e 3334 222f 3e0a 3c70 6f6c 7967 6f6e  1.34\"/>.<polygon\n-0001b1a0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-0001b1b0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0001b1c0: 2070 6f69 6e74 733d 2231 3730 342e 3732   points=\"1704.72\n-0001b1d0: 2c2d 3738 342e 3834 2031 3731 342e 3833  ,-784.84 1714.83\n-0001b1e0: 2c2d 3738 312e 3638 2031 3730 342e 3936  ,-781.68 1704.96\n-0001b1f0: 2c2d 3737 372e 3835 2031 3730 342e 3732  ,-777.85 1704.72\n-0001b200: 2c2d 3738 342e 3834 222f 3e0a 3c2f 673e  ,-784.84\"/>.</g>\n-0001b210: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0001b220: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-0001b230: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-0001b240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001b250: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n-0001b260: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n-0001b270: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-0001b280: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0001b290: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-0001b2a0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-0001b2b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001b2c0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n-0001b2d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001b2e0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001b2f0: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n-0001b300: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0001b310: 2064 3d22 4d31 3131 382e 322c 2d33 3431   d=\"M1118.2,-341\n-0001b320: 2e30 3843 3132 3832 2e35 392c 2d33 3335  .08C1282.59,-335\n-0001b330: 2e37 3620 3137 3536 2e30 382c 2d33 3138  .76 1756.08,-318\n-0001b340: 2e34 2031 3737 382e 3536 2c2d 3239 342e  .4 1778.56,-294.\n-0001b350: 3335 2031 3738 392e 3136 2c2d 3238 332e  35 1789.16,-283.\n-0001b360: 3031 2031 3739 382e 3333 2c2d 3233 312e  01 1798.33,-231.\n-0001b370: 3631 2031 3737 362e 3536 2c2d 3230 342e  61 1776.56,-204.\n-0001b380: 3631 2031 3734 392e 3838 2c2d 3137 312e  61 1749.88,-171.\n-0001b390: 3532 2031 3437 322e 3532 2c2d 3132 312e  52 1472.52,-121.\n-0001b3a0: 3732 2031 3335 342e 3836 2c2d 3130 312e  72 1354.86,-101.\n-0001b3b0: 3839 222f 3e0a 3c70 6f6c 7967 6f6e 2066  89\"/>.<polygon f\n-0001b3c0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-0001b3d0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-0001b3e0: 733d 2231 3335 352e 3433 2c2d 3938 2e34  s=\"1355.43,-98.4\n-0001b3f0: 3420 3133 3434 2e39 392c 2d31 3030 2e32  4 1344.99,-100.2\n-0001b400: 3320 3133 3534 2e32 372c 2d31 3035 2e33  3 1354.27,-105.3\n-0001b410: 3420 3133 3535 2e34 332c 2d39 382e 3434  4 1355.43,-98.44\n-0001b420: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0001b430: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b440: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n-0001b450: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001b460: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-0001b470: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n-0001b480: 6531 3730 2220 636c 6173 733d 2265 6467  e170\" class=\"edg\n-0001b490: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001b4a0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-0001b4b0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-0001b4c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001b4d0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-0001b4e0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0001b4f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0001b500: 2223 6266 6266 6266 2220 643d 224d 3130  \"#bfbfbf\" d=\"M10\n-0001b510: 3638 2e39 382c 2d33 3537 2e34 3143 3130  68.98,-357.41C10\n-0001b520: 3837 2e31 352c 2d33 3932 2e30 3220 3131  87.15,-392.02 11\n-0001b530: 3432 2e32 382c 2d34 3839 2e35 3920 3132  42.28,-489.59 12\n-0001b540: 3133 2e35 362c 2d35 3435 2e38 3320 3132  13.56,-545.83 12\n-0001b550: 3537 2e31 362c 2d35 3830 2e32 3320 3132  57.16,-580.23 12\n-0001b560: 3730 2e32 382c 2d35 3837 2e33 3620 3133  70.28,-587.36 13\n-0001b570: 3231 2e35 362c 2d36 3038 2e37 2031 3337  21.56,-608.7 137\n-0001b580: 302e 3536 2c2d 3632 392e 3039 2031 3433  0.56,-629.09 143\n-0001b590: 302e 3632 2c2d 3634 332e 3136 2031 3436  0.62,-643.16 146\n-0001b5a0: 372e 3735 2c2d 3635 302e 3639 222f 3e0a  7.75,-650.69\"/>.\n-0001b5b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0001b5c0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-0001b5d0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-0001b5e0: 2231 3436 372e 3039 2c2d 3635 342e 3133  \"1467.09,-654.13\n-0001b5f0: 2031 3437 372e 3538 2c2d 3635 322e 3634   1477.58,-652.64\n-0001b600: 2031 3436 382e 3435 2c2d 3634 372e 3236   1468.45,-647.26\n-0001b610: 2031 3436 372e 3039 2c2d 3635 342e 3133   1467.09,-654.13\n-0001b620: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0001b630: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b640: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n-0001b650: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001b660: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-0001b670: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001b680: 3137 3722 2063 6c61 7373 3d22 6564 6765  177\" class=\"edge\n-0001b690: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001b6a0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n-0001b6b0: 6c69 6564 5f66 6f72 6365 7326 2334 353b  lied_forces&#45;\n-0001b6c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001b6d0: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469  romacs_mdlib</ti\n-0001b6e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001b6f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0001b700: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-0001b710: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-0001b720: 3d22 4d31 3130 352e 3432 2c2d 3333 342e  =\"M1105.42,-334.\n-0001b730: 3935 4331 3232 392e 3732 2c2d 3331 322e  95C1229.72,-312.\n-0001b740: 3233 2031 3538 382e 3738 2c2d 3234 362e  23 1588.78,-246.\n-0001b750: 3620 3137 3033 2e37 322c 2d32 3235 2e36  6 1703.72,-225.6\n-0001b760: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001b770: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0001b780: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0001b790: 6e74 733d 2231 3730 342e 3535 2c2d 3232  nts=\"1704.55,-22\n-0001b7a0: 3920 3137 3133 2e37 352c 2d32 3233 2e37  9 1713.75,-223.7\n-0001b7b0: 3620 3137 3033 2e32 392c 2d32 3232 2e31  6 1703.29,-222.1\n-0001b7c0: 3220 3137 3034 2e35 352c 2d32 3239 222f  2 1704.55,-229\"/\n-0001b7d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001b7e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-0001b7f0: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n-0001b800: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001b810: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n-0001b820: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001b830: 3733 2220 636c 6173 733d 2265 6467 6522  73\" class=\"edge\"\n-0001b840: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001b850: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-0001b860: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n-0001b870: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001b880: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469  omacs_domdec</ti\n-0001b890: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001b8a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0001b8b0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-0001b8c0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-0001b8d0: 3d22 4d31 3130 382e 322c 2d33 3531 2e38  =\"M1108.2,-351.8\n-0001b8e0: 4331 3132 302e 3333 2c2d 3335 332e 3632  C1120.33,-353.62\n-0001b8f0: 2031 3133 332e 3434 2c2d 3335 352e 3534   1133.44,-355.54\n-0001b900: 2031 3134 352e 3536 2c2d 3335 372e 3232   1145.56,-357.22\n-0001b910: 2031 3436 312e 3731 2c2d 3430 312e 3134   1461.71,-401.14\n-0001b920: 2031 3834 332e 3437 2c2d 3434 372e 3835   1843.47,-447.85\n-0001b930: 2031 3937 302e 3834 2c2d 3436 332e 3236   1970.84,-463.26\n-0001b940: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001b950: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0001b960: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0001b970: 6e74 733d 2231 3937 302e 3633 2c2d 3436  nts=\"1970.63,-46\n-0001b980: 362e 3736 2031 3938 302e 3937 2c2d 3436  6.76 1980.97,-46\n-0001b990: 342e 3439 2031 3937 312e 3437 2c2d 3435  4.49 1971.47,-45\n-0001b9a0: 392e 3831 2031 3937 302e 3633 2c2d 3436  9.81 1970.63,-46\n-0001b9b0: 362e 3736 222f 3e0a 3c2f 673e 0a3c 212d  6.76\"/>.</g>.<!-\n-0001b9c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001b9d0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-0001b9e0: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-0001b9f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-0001ba00: 7074 696f 6e73 202d 2d3e 0a3c 6720 6964  ptions -->.<g id\n-0001ba10: 3d22 6564 6765 3137 3222 2063 6c61 7373  =\"edge172\" class\n-0001ba20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001ba30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001ba40: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-0001ba50: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0001ba60: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074  _src_gromacs_opt\n-0001ba70: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061  ions</title>.<pa\n-0001ba80: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0001ba90: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n-0001baa0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001bab0: 352c 3222 2064 3d22 4d31 3037 362e 352c  5,2\" d=\"M1076.5,\n-0001bac0: 2d33 3330 2e36 3143 3130 3938 2e34 342c  -330.61C1098.44,\n-0001bad0: 2d33 3130 2e30 3120 3131 3338 2e35 362c  -310.01 1138.56,\n-0001bae0: 2d32 3635 2e39 3420 3131 3338 2e35 362c  -265.94 1138.56,\n-0001baf0: 2d32 3139 2e30 3520 3131 3338 2e35 362c  -219.05 1138.56,\n-0001bb00: 2d32 3139 2e30 3520 3131 3338 2e35 362c  -219.05 1138.56,\n-0001bb10: 2d32 3139 2e30 3520 3131 3338 2e35 362c  -219.05 1138.56,\n-0001bb20: 2d31 3534 2e31 3820 3131 3338 2e35 362c  -154.18 1138.56,\n-0001bb30: 2d39 312e 3037 2031 3231 362e 3838 2c2d  -91.07 1216.88,-\n-0001bb40: 3536 2e30 3920 3132 3635 2e32 382c 2d34  56.09 1265.28,-4\n-0001bb50: 302e 3522 2f3e 0a3c 706f 6c79 676f 6e20  0.5\"/>.<polygon \n-0001bb60: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n-0001bb70: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n-0001bb80: 7473 3d22 3132 3636 2e35 392c 2d34 332e  ts=\"1266.59,-43.\n-0001bb90: 3736 2031 3237 352e 3131 2c2d 3337 2e34  76 1275.11,-37.4\n-0001bba0: 3620 3132 3634 2e35 322c 2d33 372e 3037  6 1264.52,-37.07\n-0001bbb0: 2031 3236 362e 3539 2c2d 3433 2e37 3622   1266.59,-43.76\"\n-0001bbc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0001bbd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001bbe0: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n-0001bbf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001bc00: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n-0001bc10: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001bc20: 3137 3922 2063 6c61 7373 3d22 6564 6765  179\" class=\"edge\n-0001bc30: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001bc40: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n-0001bc50: 6c69 6564 5f66 6f72 6365 7326 2334 353b  lied_forces&#45;\n-0001bc60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001bc70: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74  romacs_mdspan</t\n-0001bc80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001bc90: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001bca0: 7265 6422 2064 3d22 4d31 3035 342e 3437  red\" d=\"M1054.47\n-0001bcb0: 2c2d 3333 302e 3433 4331 3032 392e 3732  ,-330.43C1029.72\n-0001bcc0: 2c2d 3239 332e 3835 2039 3530 2e38 382c  ,-293.85 950.88,\n-0001bcd0: 2d31 3835 2e39 3220 3835 342e 3536 2c2d  -185.92 854.56,-\n-0001bce0: 3134 312e 3734 2037 3639 2e35 312c 2d31  141.74 769.51,-1\n-0001bcf0: 3032 2e37 3320 3438 362e 322c 2d39 352e  02.73 486.2,-95.\n-0001bd00: 3134 2033 3733 2e39 342c 2d39 332e 3636  14 373.94,-93.66\n-0001bd10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001bd20: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-0001bd30: 7265 6422 2070 6f69 6e74 733d 2233 3733  red\" points=\"373\n-0001bd40: 2e36 372c 2d39 302e 3136 2033 3633 2e36  .67,-90.16 363.6\n-0001bd50: 332c 2d39 332e 3533 2033 3733 2e35 382c  3,-93.53 373.58,\n-0001bd60: 2d39 372e 3136 2033 3733 2e36 372c 2d39  -97.16 373.67,-9\n-0001bd70: 302e 3136 222f 3e0a 3c2f 673e 0a3c 212d  0.16\"/>.</g>.<!-\n-0001bd80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001bd90: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-0001bda0: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-0001bdb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-0001bdc0: 6f6d 7061 7420 2d2d 3e0a 3c67 2069 643d  ompat -->.<g id=\n-0001bdd0: 2265 6467 6531 3830 2220 636c 6173 733d  \"edge180\" class=\n-0001bde0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001bdf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001be00: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0001be10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001be20: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n-0001be30: 6174 3c2f 7469 746c 653e 0a3c 7061 7468  at</title>.<path\n-0001be40: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001be50: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-0001be60: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001be70: 352c 3222 2064 3d22 4d31 3131 382e 3139  5,2\" d=\"M1118.19\n-0001be80: 2c2d 3334 312e 3038 4331 3334 302e 3739  ,-341.08C1340.79\n-0001be90: 2c2d 3333 342e 3136 2032 3135 362e 3435  ,-334.16 2156.45\n-0001bea0: 2c2d 3330 372e 3933 2032 3137 392e 3536  ,-307.93 2179.56\n-0001beb0: 2c2d 3239 342e 3335 2032 3232 332e 3431  ,-294.35 2223.41\n-0001bec0: 2c2d 3236 382e 3538 2032 3234 372e 3639  ,-268.58 2247.69\n-0001bed0: 2c2d 3231 302e 3431 2032 3235 382e 3139  ,-210.41 2258.19\n-0001bee0: 2c2d 3137 382e 3337 222f 3e0a 3c70 6f6c  ,-178.37\"/>.<pol\n-0001bef0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-0001bf00: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-0001bf10: 6663 6322 2070 6f69 6e74 733d 2232 3236  fcc\" points=\"226\n-0001bf20: 312e 3631 2c2d 3137 392e 3138 2032 3236  1.61,-179.18 226\n-0001bf30: 312e 3233 2c2d 3136 382e 3620 3232 3534  1.23,-168.6 2254\n-0001bf40: 2e39 322c 2d31 3737 2e31 3120 3232 3631  .92,-177.11 2261\n-0001bf50: 2e36 312c 2d31 3739 2e31 3822 2f3e 0a3c  .61,-179.18\"/>.<\n-0001bf60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001bf70: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-0001bf80: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n-0001bf90: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001bfa0: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n-0001bfb0: 3c67 2069 643d 2265 6467 6531 3736 2220  <g id=\"edge176\" \n-0001bfc0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001bfd0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001bfe0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-0001bff0: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n-0001c000: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001c010: 735f 6577 616c 643c 2f74 6974 6c65 3e0a  s_ewald</title>.\n-0001c020: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001c030: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001c040: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001c050: 7261 793d 2235 2c32 2220 643d 224d 3130  ray=\"5,2\" d=\"M10\n-0001c060: 3239 2e33 332c 2d33 3332 2e38 3743 3939  29.33,-332.87C99\n-0001c070: 312e 3436 2c2d 3332 312e 3537 2039 3239  1.46,-321.57 929\n-0001c080: 2e39 2c2d 3330 332e 3220 3839 312e 3936  .9,-303.2 891.96\n-0001c090: 2c2d 3239 312e 3838 222f 3e0a 3c70 6f6c  ,-291.88\"/>.<pol\n-0001c0a0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-0001c0b0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-0001c0c0: 6663 6322 2070 6f69 6e74 733d 2238 3932  fcc\" points=\"892\n-0001c0d0: 2e35 2c2d 3238 382e 3339 2038 3831 2e39  .5,-288.39 881.9\n-0001c0e0: 322c 2d32 3838 2e38 3920 3839 302e 352c  2,-288.89 890.5,\n-0001c0f0: 2d32 3935 2e31 2038 3932 2e35 2c2d 3238  -295.1 892.5,-28\n-0001c100: 382e 3339 222f 3e0a 3c2f 673e 0a3c 212d  8.39\"/>.</g>.<!-\n-0001c110: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001c120: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-0001c130: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-0001c140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001c150: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n-0001c160: 2265 6467 6531 3734 2220 636c 6173 733d  \"edge174\" class=\n-0001c170: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001c180: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001c190: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0001c1a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001c1b0: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-0001c1c0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-0001c1d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001c1e0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0001c1f0: 224d 3130 3532 2e34 362c 2d33 3537 2e32  \"M1052.46,-357.2\n-0001c200: 3943 3130 3435 2e32 362c 2d33 3636 2e37  9C1045.26,-366.7\n-0001c210: 3120 3130 3335 2e37 392c 2d33 3830 2e31  1 1035.79,-380.1\n-0001c220: 3820 3130 3239 2e35 362c 2d33 3933 2e32  8 1029.56,-393.2\n-0001c230: 3220 3130 3136 2e39 372c 2d34 3139 2e35  2 1016.97,-419.5\n-0001c240: 3620 3130 3137 2e38 2c2d 3432 372e 3831  6 1017.8,-427.81\n-0001c250: 2031 3031 302e 3536 2c2d 3435 362e 3039   1010.56,-456.09\n-0001c260: 2031 3030 372e 3034 2c2d 3436 392e 3836   1007.04,-469.86\n-0001c270: 2038 3730 2e32 322c 2d37 3137 2e34 3520   870.22,-717.45 \n-0001c280: 3939 312e 3536 2c2d 3739 372e 3331 2031  991.56,-797.31 1\n-0001c290: 3033 332e 3032 2c2d 3832 342e 3620 3133  033.02,-824.6 13\n-0001c2a0: 3731 2e36 372c 2d38 3339 2e37 3320 3134  71.67,-839.73 14\n-0001c2b0: 3931 2e36 332c 2d38 3434 2e32 3722 2f3e  91.63,-844.27\"/>\n-0001c2c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001c2d0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0001c2e0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0001c2f0: 3d22 3134 3931 2e37 362c 2d38 3437 2e37  =\"1491.76,-847.7\n-0001c300: 3720 3135 3031 2e38 382c 2d38 3434 2e36  7 1501.88,-844.6\n-0001c310: 3520 3134 3932 2e30 322c 2d38 3430 2e37  5 1492.02,-840.7\n-0001c320: 3820 3134 3931 2e37 362c 2d38 3437 2e37  8 1491.76,-847.7\n-0001c330: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n-0001c340: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001c350: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0001c360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001c370: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n-0001c380: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564  om -->.<g id=\"ed\n-0001c390: 6765 3138 3322 2063 6c61 7373 3d22 6564  ge183\" class=\"ed\n-0001c3a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001c3b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-0001c3c0: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n-0001c3d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001c3e0: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c  _gromacs_random<\n-0001c3f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001c400: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001c410: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n-0001c420: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0001c430: 643d 224d 3130 3436 2e34 312c 2d33 3330  d=\"M1046.41,-330\n-0001c440: 2e38 3343 3130 3033 2e30 382c 2d32 3938  .83C1003.08,-298\n-0001c450: 2e37 3420 3838 342e 3039 2c2d 3231 302e  .74 884.09,-210.\n-0001c460: 3633 2038 3333 2e36 352c 2d31 3733 2e32  63 833.65,-173.2\n-0001c470: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669  7\"/>.<polygon fi\n-0001c480: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b  ll=\"black\" strok\n-0001c490: 653d 2262 6c61 636b 2220 706f 696e 7473  e=\"black\" points\n-0001c4a0: 3d22 3833 352e 3733 2c2d 3137 302e 3436  =\"835.73,-170.46\n-0001c4b0: 2038 3235 2e36 312c 2d31 3637 2e33 3220   825.61,-167.32 \n-0001c4c0: 3833 312e 3536 2c2d 3137 362e 3038 2038  831.56,-176.08 8\n-0001c4d0: 3335 2e37 332c 2d31 3730 2e34 3622 2f3e  35.73,-170.46\"/>\n-0001c4e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0001c4f0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-0001c500: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-0001c510: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001c520: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-0001c530: 6f63 6573 7320 2d2d 3e0a 3c67 2069 643d  ocess -->.<g id=\n-0001c540: 2265 6467 6531 3738 2220 636c 6173 733d  \"edge178\" class=\n-0001c550: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001c560: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001c570: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0001c580: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001c590: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-0001c5a0: 7265 7072 6f63 6573 733c 2f74 6974 6c65  reprocess</title\n-0001c5b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001c5c0: 6e65 2220 7374 726f 6b65 3d22 2332 6363  ne\" stroke=\"#2cc\n-0001c5d0: 6332 3822 2073 7472 6f6b 652d 6461 7368  c28\" stroke-dash\n-0001c5e0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-0001c5f0: 3131 3139 2e34 2c2d 3334 342e 3733 4331  1119.4,-344.73C1\n-0001c600: 3234 352e 3838 2c2d 3334 352e 3432 2031  245.88,-345.42 1\n-0001c610: 3535 392e 3834 2c2d 3335 312e 3538 2031  559.84,-351.58 1\n-0001c620: 3831 382e 3536 2c2d 3339 332e 3232 2031  818.56,-393.22 1\n-0001c630: 3932 372e 3835 2c2d 3431 302e 3831 2031  927.85,-410.81 1\n-0001c640: 3939 312e 3838 2c2d 3336 382e 3439 2032  991.88,-368.49 2\n-0001c650: 3035 392e 3536 2c2d 3435 362e 3039 2032  059.56,-456.09 2\n-0001c660: 3230 302e 3831 2c2d 3633 382e 3932 2031  200.81,-638.92 1\n-0001c670: 3933 302e 3534 2c2d 3734 312e 3131 2031  930.54,-741.11 1\n-0001c680: 3733 322e 3536 2c2d 3836 302e 3138 2031  732.56,-860.18 1\n-0001c690: 3632 302e 392c 2d39 3237 2e33 3420 3135  620.9,-927.34 15\n-0001c6a0: 3635 2e38 312c 2d38 3838 2e30 3420 3134  65.81,-888.04 14\n-0001c6b0: 3536 2e35 362c 2d39 3539 2e30 3520 3134  56.56,-959.05 14\n-0001c6c0: 3234 2e31 372c 2d39 3830 2e31 2031 3431  24.17,-980.1 141\n-0001c6d0: 322e 312c 2d39 3836 2e35 3620 3133 3936  2.1,-986.56 1396\n-0001c6e0: 2e35 362c 2d31 3032 312e 3932 2031 3338  .56,-1021.92 138\n-0001c6f0: 392e 332c 2d31 3033 382e 3433 2031 3338  9.3,-1038.43 138\n-0001c700: 382e 342c 2d31 3035 382e 3934 2031 3338  8.4,-1058.94 138\n-0001c710: 392e 3132 2c2d 3130 3734 2e33 3922 2f3e  9.12,-1074.39\"/>\n-0001c720: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001c730: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n-0001c740: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n-0001c750: 3d22 3133 3835 2e36 352c 2d31 3037 342e  =\"1385.65,-1074.\n-0001c760: 3920 3133 3839 2e38 372c 2d31 3038 342e  9 1389.87,-1084.\n-0001c770: 3632 2031 3339 322e 3633 2c2d 3130 3734  62 1392.63,-1074\n-0001c780: 2e33 3920 3133 3835 2e36 352c 2d31 3037  .39 1385.65,-107\n-0001c790: 342e 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  4.9\"/>.</g>.<!--\n-0001c7a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001c7b0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-0001c7c0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-0001c7d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001c7e0: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c  runutility -->.<\n-0001c7f0: 6720 6964 3d22 6564 6765 3137 3522 2063  g id=\"edge175\" c\n-0001c800: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0001c810: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0001c820: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-0001c830: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n-0001c840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001c850: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n-0001c860: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001c870: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001c880: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-0001c890: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0001c8a0: 643d 224d 3130 3438 2e31 312c 2d33 3536  d=\"M1048.11,-356\n-0001c8b0: 2e37 3843 3130 3337 2e37 352c 2d33 3635  .78C1037.75,-365\n-0001c8c0: 2e39 3420 3130 3234 2e30 312c 2d33 3739  .94 1024.01,-379\n-0001c8d0: 2e33 3220 3130 3134 2e35 362c 2d33 3933  .32 1014.56,-393\n-0001c8e0: 2e32 3220 3937 322e 392c 2d34 3534 2e34  .22 972.9,-454.4\n-0001c8f0: 3720 3938 322e 3433 2c2d 3438 302e 3438  7 982.43,-480.48\n-0001c900: 2039 3437 2e35 362c 2d35 3435 2e38 3320   947.56,-545.83 \n-0001c910: 3933 312e 3937 2c2d 3537 352e 3035 2039  931.97,-575.05 9\n-0001c920: 3237 2e34 352c 2d35 3832 2e32 3220 3930  27.45,-582.22 90\n-0001c930: 372e 3536 2c2d 3630 382e 3720 3930 352e  7.56,-608.7 905.\n-0001c940: 3336 2c2d 3631 312e 3633 2038 3231 2e38  36,-611.63 821.8\n-0001c950: 352c 2d37 3034 2e31 3520 3832 302e 3536  5,-704.15 820.56\n-0001c960: 2c2d 3730 372e 3537 2038 3032 2e36 312c  ,-707.57 802.61,\n-0001c970: 2d37 3535 2e31 3520 3834 352e 3031 2c2d  -755.15 845.01,-\n-0001c980: 3737 362e 3833 2038 3931 2e35 362c 2d37  776.83 891.56,-7\n-0001c990: 3937 2e33 3120 3130 3933 2e34 332c 2d38  97.31 1093.43,-8\n-0001c9a0: 3836 2e31 3320 3137 3931 2e35 382c 2d39  86.13 1791.58,-9\n-0001c9b0: 3034 2e33 3720 3139 3937 2e31 372c 2d39  04.37 1997.17,-9\n-0001c9c0: 3037 2e38 3522 2f3e 0a3c 706f 6c79 676f  07.85\"/>.<polygo\n-0001c9d0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0001c9e0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0001c9f0: 2220 706f 696e 7473 3d22 3139 3937 2e33  \" points=\"1997.3\n-0001ca00: 392c 2d39 3131 2e33 3520 3230 3037 2e34  9,-911.35 2007.4\n-0001ca10: 342c 2d39 3038 2e30 3220 3139 3937 2e35  4,-908.02 1997.5\n-0001ca20: 2c2d 3930 342e 3335 2031 3939 372e 3339  ,-904.35 1997.39\n-0001ca30: 2c2d 3931 312e 3335 222f 3e0a 3c2f 673e  ,-911.35\"/>.</g>\n-0001ca40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0001ca50: 5f67 726f 6d61 6373 5f65 7761 6c64 2623  _gromacs_ewald&#\n-0001ca60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001ca70: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-0001ca80: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564  re -->.<g id=\"ed\n-0001ca90: 6765 3139 3122 2063 6c61 7373 3d22 6564  ge191\" class=\"ed\n-0001caa0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001cab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0001cac0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64  wald&#45;&gt;mod\n-0001cad0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001cae0: 6861 7264 7761 7265 3c2f 7469 746c 653e  hardware</title>\n-0001caf0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001cb00: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-0001cb10: 643d 224d 3833 312e 3032 2c2d 3238 352e  d=\"M831.02,-285.\n-0001cb20: 3439 4338 3032 2e37 332c 2d32 3930 2e36  49C802.73,-290.6\n-0001cb30: 2037 3539 2e33 312c 2d33 3032 2e36 3520   759.31,-302.65 \n-0001cb40: 3733 332e 3536 2c2d 3333 302e 3335 2037  733.56,-330.35 7\n-0001cb50: 3039 2e37 342c 2d33 3535 2e39 3920 3731  09.74,-355.99 71\n-0001cb60: 302e 3536 2c2d 3337 302e 3636 2037 3130  0.56,-370.66 710\n-0001cb70: 2e35 362c 2d34 3035 2e36 3620 3731 302e  .56,-405.66 710.\n-0001cb80: 3536 2c2d 3635 392e 3134 2037 3130 2e35  56,-659.14 710.5\n-0001cb90: 362c 2d36 3539 2e31 3420 3731 302e 3536  6,-659.14 710.56\n-0001cba0: 2c2d 3635 392e 3134 2037 3130 2e35 362c  ,-659.14 710.56,\n-0001cbb0: 2d38 3230 2e34 2037 3035 2e31 322c 2d38  -820.4 705.12,-8\n-0001cbc0: 3630 2e36 3620 3730 332e 3536 2c2d 3130  60.66 703.56,-10\n-0001cbd0: 3231 2e39 3220 3730 332e 3138 2c2d 3130  21.92 703.18,-10\n-0001cbe0: 3631 2e38 2036 3735 2e37 322c 2d31 3038  61.8 675.72,-108\n-0001cbf0: 332e 3120 3730 332e 3536 2c2d 3131 3131  3.1 703.56,-1111\n-0001cc00: 2e36 3620 3735 372e 392c 2d31 3136 372e  .66 757.9,-1167.\n-0001cc10: 3432 2032 3032 372e 3433 2c2d 3131 3337  42 2027.43,-1137\n-0001cc20: 2e30 3220 3231 3034 2e35 362c 2d31 3134  .02 2104.56,-114\n-0001cc30: 372e 3636 2032 3130 382e 3031 2c2d 3131  7.66 2108.01,-11\n-0001cc40: 3438 2e31 3420 3231 3131 2e35 372c 2d31  48.14 2111.57,-1\n-0001cc50: 3134 382e 3736 2032 3131 352e 3132 2c2d  148.76 2115.12,-\n-0001cc60: 3131 3439 2e34 3922 2f3e 0a3c 706f 6c79  1149.49\"/>.<poly\n-0001cc70: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n-0001cc80: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n-0001cc90: 7473 3d22 3231 3134 2e34 392c 2d31 3135  ts=\"2114.49,-115\n-0001cca0: 322e 3933 2032 3132 352e 3031 2c2d 3131  2.93 2125.01,-11\n-0001ccb0: 3531 2e37 3120 3231 3136 2e30 332c 2d31  51.71 2116.03,-1\n-0001ccc0: 3134 362e 3120 3231 3134 2e34 392c 2d31  146.1 2114.49,-1\n-0001ccd0: 3135 322e 3933 222f 3e0a 3c2f 673e 0a3c  152.93\"/>.</g>.<\n-0001cce0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001ccf0: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n-0001cd00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001cd10: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-0001cd20: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001cd30: 3837 2220 636c 6173 733d 2265 6467 6522  87\" class=\"edge\"\n-0001cd40: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001cd50: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-0001cd60: 6426 2334 353b 2667 743b 6d6f 6475 6c65  d&#45;&gt;module\n-0001cd70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-0001cd80: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n-0001cd90: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0001cda0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-0001cdb0: 3836 372e 3638 2c2d 3239 332e 3731 4338  867.68,-293.71C8\n-0001cdc0: 3738 2e32 2c2d 3331 352e 3535 2038 3931  78.2,-315.55 891\n-0001cdd0: 2e35 362c 2d33 3633 2e38 3620 3839 312e  .56,-363.86 891.\n-0001cde0: 3536 2c2d 3430 352e 3636 2038 3931 2e35  56,-405.66 891.5\n-0001cdf0: 362c 2d35 3333 2e34 2038 3931 2e35 362c  6,-533.4 891.56,\n-0001ce00: 2d35 3333 2e34 2038 3931 2e35 362c 2d35  -533.4 891.56,-5\n-0001ce10: 3333 2e34 2038 3931 2e35 362c 2d35 3836  33.4 891.56,-586\n-0001ce20: 2e37 3520 3931 382e 3039 2c2d 3539 342e  .75 918.09,-594.\n-0001ce30: 3634 2039 3336 2e35 362c 2d36 3434 2e37  64 936.56,-644.7\n-0001ce40: 2039 3531 2e31 312c 2d36 3834 2e31 3620   951.11,-684.16 \n-0001ce50: 3933 332e 322c 2d37 3038 2e38 3420 3936  933.2,-708.84 96\n-0001ce60: 362e 3536 2c2d 3733 342e 3434 2039 3936  6.56,-734.44 996\n-0001ce70: 2e30 382c 2d37 3537 2e30 3920 3135 3338  .08,-757.09 1538\n-0001ce80: 2e31 322c 2d37 3735 2e39 2031 3730 342e  .12,-775.9 1704.\n-0001ce90: 3439 2c2d 3738 312e 3331 222f 3e0a 3c70  49,-781.31\"/>.<p\n-0001cea0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n-0001ceb0: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n-0001cec0: 6f69 6e74 733d 2231 3730 342e 3739 2c2d  oints=\"1704.79,-\n-0001ced0: 3738 342e 3832 2031 3731 342e 3839 2c2d  784.82 1714.89,-\n-0001cee0: 3738 312e 3635 2031 3730 352e 3031 2c2d  781.65 1705.01,-\n-0001cef0: 3737 372e 3832 2031 3730 342e 3739 2c2d  777.82 1704.79,-\n-0001cf00: 3738 342e 3832 222f 3e0a 3c2f 673e 0a3c  784.82\"/>.</g>.<\n-0001cf10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001cf20: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n-0001cf30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001cf40: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-0001cf50: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-0001cf60: 6531 3836 2220 636c 6173 733d 2265 6467  e186\" class=\"edg\n-0001cf70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001cf80: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n-0001cf90: 616c 6426 2334 353b 2667 743b 6d6f 6475  ald&#45;&gt;modu\n-0001cfa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001cfb0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n-0001cfc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001cfd0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-0001cfe0: 643d 224d 3833 332e 3336 2c2d 3238 372e  d=\"M833.36,-287.\n-0001cff0: 3838 4338 3130 2e33 372c 2d32 3934 2e35  88C810.37,-294.5\n-0001d000: 3620 3737 362e 3935 2c2d 3330 372e 3536  6 776.95,-307.56\n-0001d010: 2037 3536 2e35 362c 2d33 3330 2e33 3520   756.56,-330.35 \n-0001d020: 3733 322e 3935 2c2d 3335 362e 3734 2037  732.95,-356.74 7\n-0001d030: 3330 2e35 362c 2d33 3730 2e32 3520 3733  30.56,-370.25 73\n-0001d040: 302e 3536 2c2d 3430 352e 3636 2037 3330  0.56,-405.66 730\n-0001d050: 2e35 362c 2d37 3834 2e38 3820 3733 302e  .56,-784.88 730.\n-0001d060: 3536 2c2d 3738 342e 3838 2037 3330 2e35  56,-784.88 730.5\n-0001d070: 362c 2d37 3834 2e38 3820 3733 302e 3536  6,-784.88 730.56\n-0001d080: 2c2d 3930 332e 3338 2036 3737 2e32 362c  ,-903.38 677.26,\n-0001d090: 2d39 3733 2e32 3420 3736 382e 3536 2c2d  -973.24 768.56,-\n-0001d0a0: 3130 3438 2e37 3920 3739 322e 3331 2c2d  1048.79 792.31,-\n-0001d0b0: 3130 3638 2e34 3520 3137 3439 2e38 2c2d  1068.45 1749.8,-\n-0001d0c0: 3130 3931 2031 3938 302e 3132 2c2d 3130  1091 1980.12,-10\n-0001d0d0: 3936 2e31 3422 2f3e 0a3c 706f 6c79 676f  96.14\"/>.<polygo\n-0001d0e0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-0001d0f0: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-0001d100: 3d22 3139 3830 2e31 342c 2d31 3039 392e  =\"1980.14,-1099.\n-0001d110: 3634 2031 3939 302e 3231 2c2d 3130 3936  64 1990.21,-1096\n-0001d120: 2e33 3720 3139 3830 2e32 392c 2d31 3039  .37 1980.29,-109\n-0001d130: 322e 3635 2031 3938 302e 3134 2c2d 3130  2.65 1980.14,-10\n-0001d140: 3939 2e36 3422 2f3e 0a3c 2f67 3e0a 3c21  99.64\"/>.</g>.<!\n-0001d150: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001d160: 6f6d 6163 735f 6577 616c 6426 2334 353b  omacs_ewald&#45;\n-0001d170: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001d180: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e  romacs_nbnxm -->\n-0001d190: 0a3c 6720 6964 3d22 6564 6765 3139 3022  .<g id=\"edge190\"\n-0001d1a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001d1b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001d1c0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623  _gromacs_ewald&#\n-0001d1d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001d1e0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c  c_gromacs_nbnxm<\n-0001d1f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001d200: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001d210: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001d220: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-0001d230: 2220 643d 224d 3834 312e 3731 2c2d 3239  \" d=\"M841.71,-29\n-0001d240: 322e 3032 4338 3236 2e31 392c 2d33 3030  2.02C826.19,-300\n-0001d250: 2e31 3820 3830 332e 3939 2c2d 3331 332e  .18 803.99,-313.\n-0001d260: 3132 2037 3839 2e35 362c 2d33 3330 2e33  12 789.56,-330.3\n-0001d270: 3520 3736 362e 3433 2c2d 3335 372e 3937  5 766.43,-357.97\n-0001d280: 2037 3539 2e35 362c 2d33 3639 2e36 3320   759.56,-369.63 \n-0001d290: 3735 392e 3536 2c2d 3430 352e 3636 2037  759.56,-405.66 7\n-0001d2a0: 3539 2e35 362c 2d37 3232 2e30 3120 3735  59.56,-722.01 75\n-0001d2b0: 392e 3536 2c2d 3732 322e 3031 2037 3539  9.56,-722.01 759\n-0001d2c0: 2e35 362c 2d37 3232 2e30 3120 3735 392e  .56,-722.01 759.\n-0001d2d0: 3536 2c2d 3938 312e 3437 2031 3736 352e  56,-981.47 1765.\n-0001d2e0: 3438 2c2d 3130 3236 2e33 3920 3139 3836  48,-1026.39 1986\n-0001d2f0: 2e38 362c 2d31 3033 332e 3233 222f 3e0a  .86,-1033.23\"/>.\n-0001d300: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0001d310: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-0001d320: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-0001d330: 2231 3938 372c 2d31 3033 362e 3734 2031  \"1987,-1036.74 1\n-0001d340: 3939 372e 312c 2d31 3033 332e 3534 2031  997.1,-1033.54 1\n-0001d350: 3938 372e 322c 2d31 3032 392e 3734 2031  987.2,-1029.74 1\n-0001d360: 3938 372c 2d31 3033 362e 3734 222f 3e0a  987,-1036.74\"/>.\n-0001d370: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001d380: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n-0001d390: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c  ld&#45;&gt;modul\n-0001d3a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001d3b0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n-0001d3c0: 6467 6531 3835 2220 636c 6173 733d 2265  dge185\" class=\"e\n-0001d3d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0001d3e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001d3f0: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n-0001d400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001d410: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n-0001d420: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0001d430: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0001d440: 2220 643d 224d 3838 372e 322c 2d32 3737  \" d=\"M887.2,-277\n-0001d450: 2e37 3543 3130 3137 2e34 382c 2d32 3638  .75C1017.48,-268\n-0001d460: 2e33 3820 3135 3533 2e31 2c2d 3233 312e  .38 1553.1,-231.\n-0001d470: 3337 2031 3730 312e 3431 2c2d 3232 312e  37 1701.41,-221.\n-0001d480: 3438 222f 3e0a 3c70 6f6c 7967 6f6e 2066  48\"/>.<polygon f\n-0001d490: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-0001d4a0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-0001d4b0: 6f69 6e74 733d 2231 3730 322e 3036 2c2d  oints=\"1702.06,-\n-0001d4c0: 3232 342e 3935 2031 3731 312e 382c 2d32  224.95 1711.8,-2\n-0001d4d0: 3230 2e37 3920 3137 3031 2e35 392c 2d32  20.79 1701.59,-2\n-0001d4e0: 3137 2e39 3620 3137 3032 2e30 362c 2d32  17.96 1702.06,-2\n-0001d4f0: 3234 2e39 3522 2f3e 0a3c 2f67 3e0a 3c21  24.95\"/>.</g>.<!\n-0001d500: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001d510: 6f6d 6163 735f 6577 616c 6426 2334 353b  omacs_ewald&#45;\n-0001d520: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001d530: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d  romacs_domdec --\n-0001d540: 3e0a 3c67 2069 643d 2265 6467 6531 3838  >.<g id=\"edge188\n-0001d550: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001d560: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001d570: 635f 6772 6f6d 6163 735f 6577 616c 6426  c_gromacs_ewald&\n-0001d580: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001d590: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-0001d5a0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n-0001d5b0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001d5c0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-0001d5d0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0001d5e0: 2c32 2220 643d 224d 3838 342e 3131 2c2d  ,2\" d=\"M884.11,-\n-0001d5f0: 3238 372e 3434 4339 3130 2e33 322c 2d32  287.44C910.32,-2\n-0001d600: 3934 2e37 3920 3935 302e 3731 2c2d 3330  94.79 950.71,-30\n-0001d610: 392e 3335 2039 3830 2e35 362c 2d33 3330  9.35 980.56,-330\n-0001d620: 2e33 3520 3939 332e 392c 2d33 3339 2e37  .35 993.9,-339.7\n-0001d630: 3420 3939 312e 3132 2c2d 3334 392e 3634  4 991.12,-349.64\n-0001d640: 2031 3030 352e 3536 2c2d 3335 372e 3232   1005.56,-357.22\n-0001d650: 2031 3137 372e 3131 2c2d 3434 372e 3232   1177.11,-447.22\n-0001d660: 2031 3739 342e 3238 2c2d 3436 342e 3635   1794.28,-464.65\n-0001d670: 2031 3936 382e 3533 2c2d 3436 372e 3834   1968.53,-467.84\n-0001d680: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001d690: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0001d6a0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0001d6b0: 6e74 733d 2231 3936 382e 3539 2c2d 3437  nts=\"1968.59,-47\n-0001d6c0: 312e 3335 2031 3937 382e 3635 2c2d 3436  1.35 1978.65,-46\n-0001d6d0: 382e 3032 2031 3936 382e 3731 2c2d 3436  8.02 1968.71,-46\n-0001d6e0: 342e 3335 2031 3936 382e 3539 2c2d 3437  4.35 1968.59,-47\n-0001d6f0: 312e 3335 222f 3e0a 3c2f 673e 0a3c 212d  1.35\"/>.</g>.<!-\n-0001d700: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001d710: 6d61 6373 5f65 7761 6c64 2623 3435 3b26  macs_ewald&#45;&\n-0001d720: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001d730: 6f6d 6163 735f 6666 7420 2d2d 3e0a 3c67  omacs_fft -->.<g\n-0001d740: 2069 643d 2265 6467 6531 3834 2220 636c   id=\"edge184\" cl\n-0001d750: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0001d760: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0001d770: 6f6d 6163 735f 6577 616c 6426 2334 353b  omacs_ewald&#45;\n-0001d780: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001d790: 726f 6d61 6373 5f66 6674 3c2f 7469 746c  romacs_fft</titl\n-0001d7a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001d7b0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n-0001d7c0: 2220 643d 224d 3833 302e 3439 2c2d 3237  \" d=\"M830.49,-27\n-0001d7d0: 362e 3934 4337 3335 2e36 312c 2d32 3636  6.94C735.61,-266\n-0001d7e0: 2e38 3820 3432 362e 3932 2c2d 3233 342e  .88 426.92,-234.\n-0001d7f0: 3134 2033 3230 2e37 392c 2d32 3232 2e38  14 320.79,-222.8\n-0001d800: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n-0001d810: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-0001d820: 2272 6564 2220 706f 696e 7473 3d22 3332  \"red\" points=\"32\n-0001d830: 302e 392c 2d32 3139 2e33 3820 3331 302e  0.9,-219.38 310.\n-0001d840: 3539 2c2d 3232 312e 3831 2033 3230 2e31  59,-221.81 320.1\n-0001d850: 362c 2d32 3236 2e33 3420 3332 302e 392c  6,-226.34 320.9,\n-0001d860: 2d32 3139 2e33 3822 2f3e 0a3c 2f67 3e0a  -219.38\"/>.</g>.\n-0001d870: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001d880: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n-0001d890: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001d8a0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n-0001d8b0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001d8c0: 3839 2220 636c 6173 733d 2265 6467 6522  89\" class=\"edge\"\n-0001d8d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001d8e0: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-0001d8f0: 6426 2334 353b 2667 743b 6d6f 6475 6c65  d&#45;&gt;module\n-0001d900: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-0001d910: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-0001d920: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0001d930: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0001d940: 3d22 4d38 3437 2e39 372c 2d32 3933 2e36  =\"M847.97,-293.6\n-0001d950: 3143 3832 362e 3031 2c2d 3331 332e 3532  1C826.01,-313.52\n-0001d960: 2037 3739 2e35 362c 2d33 3536 2e36 3220   779.56,-356.62 \n-0001d970: 3737 392e 3536 2c2d 3430 352e 3636 2037  779.56,-405.66 7\n-0001d980: 3739 2e35 362c 2d36 3539 2e31 3420 3737  79.56,-659.14 77\n-0001d990: 392e 3536 2c2d 3635 392e 3134 2037 3739  9.56,-659.14 779\n-0001d9a0: 2e35 362c 2d36 3539 2e31 3420 3737 392e  .56,-659.14 779.\n-0001d9b0: 3536 2c2d 3734 302e 3737 2038 3235 2e33  56,-740.77 825.3\n-0001d9c0: 372c 2d37 3635 2e35 3220 3930 302e 3536  7,-765.52 900.56\n-0001d9d0: 2c2d 3739 372e 3331 2031 3030 382e 312c  ,-797.31 1008.1,\n-0001d9e0: 2d38 3432 2e37 3820 3133 3637 2e36 362c  -842.78 1367.66,\n-0001d9f0: 2d38 3436 2e32 3920 3134 3931 2e34 312c  -846.29 1491.41,\n-0001da00: 2d38 3436 2e30 3522 2f3e 0a3c 706f 6c79  -846.05\"/>.<poly\n-0001da10: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-0001da20: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-0001da30: 6266 2220 706f 696e 7473 3d22 3134 3931  bf\" points=\"1491\n-0001da40: 2e36 332c 2d38 3439 2e35 3520 3135 3031  .63,-849.55 1501\n-0001da50: 2e36 322c 2d38 3436 2e30 3220 3134 3931  .62,-846.02 1491\n-0001da60: 2e36 312c 2d38 3432 2e35 3520 3134 3931  .61,-842.55 1491\n-0001da70: 2e36 332c 2d38 3439 2e35 3522 2f3e 0a3c  .63,-849.55\"/>.<\n-0001da80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001da90: 7372 635f 6772 6f6d 6163 735f 7075 6c6c  src_gromacs_pull\n-0001daa0: 696e 6726 2334 353b 2667 743b 6d6f 6475  ing&#45;&gt;modu\n-0001dab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001dac0: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n-0001dad0: 3d22 6564 6765 3139 3322 2063 6c61 7373  =\"edge193\" class\n-0001dae0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001daf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001db00: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n-0001db10: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001db20: 6f6d 6163 735f 6d64 7479 7065 733c 2f74  omacs_mdtypes</t\n-0001db30: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001db40: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001db50: 2362 6662 6662 6622 2064 3d22 4d31 3633  #bfbfbf\" d=\"M163\n-0001db60: 332e 3036 2c2d 3534 362e 3039 4331 3632  3.06,-546.09C162\n-0001db70: 342e 3438 2c2d 3538 302e 3037 2031 3630  4.48,-580.07 160\n-0001db80: 352e 3936 2c2d 3637 342e 3537 2031 3634  5.96,-674.57 164\n-0001db90: 362e 3536 2c2d 3733 342e 3434 2031 3636  6.56,-734.44 166\n-0001dba0: 302e 392c 2d37 3535 2e35 3920 3136 3836  0.9,-755.59 1686\n-0001dbb0: 2e39 2c2d 3736 372e 3636 2031 3730 392e  .9,-767.66 1709.\n-0001dbc0: 3535 2c2d 3737 342e 3436 222f 3e0a 3c70  55,-774.46\"/>.<p\n-0001dbd0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-0001dbe0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-0001dbf0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-0001dc00: 3730 382e 3737 2c2d 3737 372e 3838 2031  708.77,-777.88 1\n-0001dc10: 3731 392e 3334 2c2d 3737 372e 3135 2031  719.34,-777.15 1\n-0001dc20: 3731 302e 3633 2c2d 3737 312e 3133 2031  710.63,-771.13 1\n-0001dc30: 3730 382e 3737 2c2d 3737 372e 3838 222f  708.77,-777.88\"/\n-0001dc40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001dc50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70  le_src_gromacs_p\n-0001dc60: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d  ulling&#45;&gt;m\n-0001dc70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001dc80: 735f 636f 6d6d 616e 646c 696e 6520 2d2d  s_commandline --\n-0001dc90: 3e0a 3c67 2069 643d 2265 6467 6531 3934  >.<g id=\"edge194\n-0001dca0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001dcb0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001dcc0: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n-0001dcd0: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n-0001dce0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-0001dcf0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e  mandline</title>\n-0001dd00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001dd10: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" stroke=\"black\n-0001dd20: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0001dd30: 6179 3d22 352c 3222 2064 3d22 4d31 3631  ay=\"5,2\" d=\"M161\n-0001dd40: 382e 3031 2c2d 3532 312e 3337 4331 3536  8.01,-521.37C156\n-0001dd50: 382e 3134 2c2d 3439 332e 3238 2031 3433  8.14,-493.28 143\n-0001dd60: 312e 3137 2c2d 3430 382e 3335 2031 3337  1.17,-408.35 137\n-0001dd70: 342e 3536 2c2d 3239 342e 3335 2031 3334  4.56,-294.35 134\n-0001dd80: 332e 382c 2d32 3332 2e33 3920 3133 3139  3.8,-232.39 1319\n-0001dd90: 2e36 332c 2d31 3533 2e39 3520 3133 3038  .63,-153.95 1308\n-0001dda0: 2e37 382c 2d31 3135 2e39 3722 2f3e 0a3c  .78,-115.97\"/>.<\n-0001ddb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n-0001ddc0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n-0001ddd0: 636b 2220 706f 696e 7473 3d22 3133 3132  ck\" points=\"1312\n-0001dde0: 2e30 352c 2d31 3134 2e36 3420 3133 3035  .05,-114.64 1305\n-0001ddf0: 2e39 372c 2d31 3035 2e39 3620 3133 3035  .97,-105.96 1305\n-0001de00: 2e33 312c 2d31 3136 2e35 3320 3133 3132  .31,-116.53 1312\n-0001de10: 2e30 352c 2d31 3134 2e36 3422 2f3e 0a3c  .05,-114.64\"/>.<\n-0001de20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001de30: 7372 635f 6772 6f6d 6163 735f 7075 6c6c  src_gromacs_pull\n-0001de40: 696e 6726 2334 353b 2667 743b 6d6f 6475  ing&#45;&gt;modu\n-0001de50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n-0001de60: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d  ileio -->.<g id=\n-0001de70: 2265 6467 6531 3935 2220 636c 6173 733d  \"edge195\" class=\n-0001de80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001de90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001dea0: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n-0001deb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001dec0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n-0001ded0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0001dee0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-0001def0: 6662 6662 6622 2064 3d22 4d31 3632 342e  fbfbf\" d=\"M1624.\n-0001df00: 3232 2c2d 3534 342e 3739 4331 3630 312e  22,-544.79C1601.\n-0001df10: 3031 2c2d 3536 362e 3232 2031 3535 302e  01,-566.22 1550.\n-0001df20: 3636 2c2d 3631 322e 3732 2031 3532 322e  66,-612.72 1522.\n-0001df30: 3535 2c2d 3633 382e 3637 222f 3e0a 3c70  55,-638.67\"/>.<p\n-0001df40: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-0001df50: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-0001df60: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-0001df70: 3531 392e 392c 2d36 3336 2e33 3620 3135  519.9,-636.36 15\n-0001df80: 3134 2e39 332c 2d36 3435 2e37 3220 3135  14.93,-645.72 15\n-0001df90: 3234 2e36 352c 2d36 3431 2e35 2031 3531  24.65,-641.5 151\n-0001dfa0: 392e 392c 2d36 3336 2e33 3622 2f3e 0a3c  9.9,-636.36\"/>.<\n-0001dfb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001dfc0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c  src_gromacs_pull\n-0001dfd0: 696e 6726 2334 353b 2667 743b 6d6f 6475  ing&#45;&gt;modu\n-0001dfe0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001dff0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n-0001e000: 6564 6765 3139 3722 2063 6c61 7373 3d22  edge197\" class=\"\n-0001e010: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001e020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001e030: 5f70 756c 6c69 6e67 2623 3435 3b26 6774  _pulling&#45;&gt\n-0001e040: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001e050: 6163 735f 6d64 6c69 623c 2f74 6974 6c65  acs_mdlib</title\n-0001e060: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001e070: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-0001e080: 6662 6622 2064 3d22 4d31 3632 372e 3538  fbf\" d=\"M1627.58\n-0001e090: 2c2d 3531 392e 3443 3136 3231 2e31 352c  ,-519.4C1621.15,\n-0001e0a0: 2d35 3130 2e30 3320 3136 3133 2e30 352c  -510.03 1613.05,\n-0001e0b0: 2d34 3936 2e33 3820 3136 3039 2e35 362c  -496.38 1609.56,\n-0001e0c0: 2d34 3832 2e39 3620 3136 3030 2e35 322c  -482.96 1600.52,\n-0001e0d0: 2d34 3438 2e31 3820 3136 3036 2e30 392c  -448.18 1606.09,\n-0001e0e0: 2d33 3230 2e32 3920 3136 3435 2e35 362c  -320.29 1645.56,\n-0001e0f0: 2d32 3637 2e34 3820 3136 3630 2e32 2c2d  -267.48 1660.2,-\n-0001e100: 3234 372e 3839 2031 3638 352e 3035 2c2d  247.89 1685.05,-\n-0001e110: 3233 352e 3538 2031 3730 352e 3533 2c2d  235.58 1705.53,-\n-0001e120: 3232 382e 3237 222f 3e0a 3c70 6f6c 7967  228.27\"/>.<polyg\n-0001e130: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-0001e140: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0001e150: 6622 2070 6f69 6e74 733d 2231 3730 362e  f\" points=\"1706.\n-0001e160: 3738 2c2d 3233 312e 3534 2031 3731 352e  78,-231.54 1715.\n-0001e170: 3137 2c2d 3232 352e 3037 2031 3730 342e  17,-225.07 1704.\n-0001e180: 3537 2c2d 3232 342e 3920 3137 3036 2e37  57,-224.9 1706.7\n-0001e190: 382c 2d32 3331 2e35 3422 2f3e 0a3c 2f67  8,-231.54\"/>.</g\n-0001e1a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0001e1b0: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n-0001e1c0: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n-0001e1d0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-0001e1e0: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265  dec -->.<g id=\"e\n-0001e1f0: 6467 6531 3932 2220 636c 6173 733d 2265  dge192\" class=\"e\n-0001e200: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0001e210: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001e220: 7075 6c6c 696e 6726 2334 353b 2667 743b  pulling&#45;&gt;\n-0001e230: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001e240: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65  cs_domdec</title\n-0001e250: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001e260: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-0001e270: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-0001e280: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-0001e290: 3136 3634 2e39 372c 2d35 3236 2e38 3243  1664.97,-526.82C\n-0001e2a0: 3137 3330 2e39 352c 2d35 3136 2e32 2031  1730.95,-516.2 1\n-0001e2b0: 3839 342e 3739 2c2d 3438 392e 3831 2031  894.79,-489.81 1\n-0001e2c0: 3937 322e 3435 2c2d 3437 372e 3331 222f  972.45,-477.31\"/\n-0001e2d0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0001e2e0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0001e2f0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0001e300: 733d 2231 3937 332e 3036 2c2d 3438 302e  s=\"1973.06,-480.\n-0001e310: 3735 2031 3938 322e 3337 2c2d 3437 352e  75 1982.37,-475.\n-0001e320: 3731 2031 3937 312e 3934 2c2d 3437 332e  71 1971.94,-473.\n-0001e330: 3834 2031 3937 332e 3036 2c2d 3438 302e  84 1973.06,-480.\n-0001e340: 3735 222f 3e0a 3c2f 673e 0a3c 212d 2d20  75\"/>.</g>.<!-- \n-0001e350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001e360: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n-0001e370: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001e380: 6f6d 6163 735f 676d 786c 6962 202d 2d3e  omacs_gmxlib -->\n-0001e390: 0a3c 6720 6964 3d22 6564 6765 3139 3622  .<g id=\"edge196\"\n-0001e3a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001e3b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001e3c0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n-0001e3d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001e3e0: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-0001e3f0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-0001e400: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001e410: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0001e420: 224d 3136 3331 2e38 322c 2d35 3435 2e36  \"M1631.82,-545.6\n-0001e430: 3843 3136 3238 2e31 2c2d 3535 352e 3434  8C1628.1,-555.44\n-0001e440: 2031 3632 322e 3835 2c2d 3536 392e 3436   1622.85,-569.46\n-0001e450: 2031 3631 382e 3536 2c2d 3538 312e 3833   1618.56,-581.83\n-0001e460: 2031 3538 372e 3639 2c2d 3637 302e 3838   1587.69,-670.88\n-0001e470: 2031 3535 342e 3332 2c2d 3737 382e 3120   1554.32,-778.1 \n-0001e480: 3135 3430 2e33 332c 2d38 3233 2e36 222f  1540.33,-823.6\"/\n-0001e490: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0001e4a0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-0001e4b0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-0001e4c0: 733d 2231 3533 362e 3934 2c2d 3832 322e  s=\"1536.94,-822.\n-0001e4d0: 3733 2031 3533 372e 3335 2c2d 3833 332e  73 1537.35,-833.\n-0001e4e0: 3331 2031 3534 332e 3633 2c2d 3832 342e  31 1543.63,-824.\n-0001e4f0: 3738 2031 3533 362e 3934 2c2d 3832 322e  78 1536.94,-822.\n-0001e500: 3733 222f 3e0a 3c2f 673e 0a3c 212d 2d20  73\"/>.</g>.<!-- \n-0001e510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001e520: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n-0001e530: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001e540: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-0001e550: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n-0001e560: 6765 3139 3822 2063 6c61 7373 3d22 6564  ge198\" class=\"ed\n-0001e570: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001e580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70  le_src_gromacs_p\n-0001e590: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d  ulling&#45;&gt;m\n-0001e5a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001e5b0: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n-0001e5c0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0001e5d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0001e5e0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0001e5f0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0001e600: 2064 3d22 4d31 3633 372e 3235 2c2d 3534   d=\"M1637.25,-54\n-0001e610: 352e 3938 4331 3633 382e 3637 2c2d 3536  5.98C1638.67,-56\n-0001e620: 312e 3932 2031 3634 332e 3036 2c2d 3538  1.92 1643.06,-58\n-0001e630: 392e 3539 2031 3635 362e 3536 2c2d 3630  9.59 1656.56,-60\n-0001e640: 382e 3720 3136 3639 2e33 2c2d 3632 362e  8.7 1669.3,-626.\n-0001e650: 3734 2031 3936 372e 3833 2c2d 3831 382e  74 1967.83,-818.\n-0001e660: 3920 3139 3834 2e35 362c 2d38 3333 2e33  9 1984.56,-833.3\n-0001e670: 3120 3230 3034 2e34 382c 2d38 3530 2e34  1 2004.48,-850.4\n-0001e680: 3720 3230 3234 2e36 362c 2d38 3732 2e38  7 2024.66,-872.8\n-0001e690: 3220 3230 3338 2e32 2c2d 3838 382e 3722  2 2038.2,-888.7\"\n-0001e6a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001e6b0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001e6c0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-0001e6d0: 7473 3d22 3230 3335 2e35 322c 2d38 3930  ts=\"2035.52,-890\n-0001e6e0: 2e39 3620 3230 3434 2e36 332c 2d38 3936  .96 2044.63,-896\n-0001e6f0: 2e33 3620 3230 3430 2e38 372c 2d38 3836  .36 2040.87,-886\n-0001e700: 2e34 3520 3230 3335 2e35 322c 2d38 3930  .45 2035.52,-890\n-0001e710: 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .96\"/>.</g>.<!--\n-0001e720: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001e730: 6163 735f 676d 786c 6962 2623 3435 3b26  acs_gmxlib&#45;&\n-0001e740: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001e750: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n-0001e760: 3e0a 3c67 2069 643d 2265 6467 6532 3030  >.<g id=\"edge200\n-0001e770: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001e780: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001e790: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-0001e7a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001e7b0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0001e7c0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n-0001e7d0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0001e7e0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0001e7f0: 3d22 4d31 3535 392e 3131 2c2d 3833 382e  =\"M1559.11,-838.\n-0001e800: 3634 4331 3539 372e 3231 2c2d 3832 382e  64C1597.21,-828.\n-0001e810: 3035 2031 3636 392e 3231 2c2d 3830 382e  05 1669.21,-808.\n-0001e820: 3034 2031 3731 332e 3831 2c2d 3739 352e  04 1713.81,-795.\n-0001e830: 3635 222f 3e0a 3c70 6f6c 7967 6f6e 2066  65\"/>.<polygon f\n-0001e840: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-0001e850: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-0001e860: 6f69 6e74 733d 2231 3731 352e 3031 2c2d  oints=\"1715.01,-\n-0001e870: 3739 382e 3935 2031 3732 332e 3731 2c2d  798.95 1723.71,-\n-0001e880: 3739 322e 3920 3137 3133 2e31 342c 2d37  792.9 1713.14,-7\n-0001e890: 3932 2e32 2031 3731 352e 3031 2c2d 3739  92.2 1715.01,-79\n-0001e8a0: 382e 3935 222f 3e0a 3c2f 673e 0a3c 212d  8.95\"/>.</g>.<!-\n-0001e8b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001e8c0: 6d61 6373 5f67 6d78 6c69 6226 2334 353b  macs_gmxlib&#45;\n-0001e8d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001e8e0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-0001e8f0: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564  ne -->.<g id=\"ed\n-0001e900: 6765 3139 3922 2063 6c61 7373 3d22 6564  ge199\" class=\"ed\n-0001e910: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001e920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001e930: 6d78 6c69 6226 2334 353b 2667 743b 6d6f  mxlib&#45;&gt;mo\n-0001e940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001e950: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n-0001e960: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001e970: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n-0001e980: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n-0001e990: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0001e9a0: 4d31 3530 312e 3831 2c2d 3834 352e 3236  M1501.81,-845.26\n-0001e9b0: 4331 3339 332c 2d38 3433 2e32 3720 3130  C1393,-843.27 10\n-0001e9c0: 3430 2e30 342c 2d38 3334 2e30 3120 3130  40.04,-834.01 10\n-0001e9d0: 3036 2e35 362c 2d37 3937 2e33 3120 3939  06.56,-797.31 99\n-0001e9e0: 382e 3531 2c2d 3738 382e 3439 2031 3030  8.51,-788.49 100\n-0001e9f0: 332e 3934 2c2d 3738 322e 3039 2031 3030  3.94,-782.09 100\n-0001ea00: 362e 3536 2c2d 3737 302e 3434 2031 3034  6.56,-770.44 104\n-0001ea10: 352e 3734 2c2d 3539 362e 3335 2031 3137  5.74,-596.35 117\n-0001ea20: 382e 3536 2c2d 3538 362e 3120 3131 3738  8.56,-586.1 1178\n-0001ea30: 2e35 362c 2d34 3037 2e36 3620 3131 3738  .56,-407.66 1178\n-0001ea40: 2e35 362c 2d34 3037 2e36 3620 3131 3738  .56,-407.66 1178\n-0001ea50: 2e35 362c 2d34 3037 2e36 3620 3131 3738  .56,-407.66 1178\n-0001ea60: 2e35 362c 2d32 3137 2e30 3520 3131 3738  .56,-217.05 1178\n-0001ea70: 2e35 362c 2d31 3830 2e35 2031 3138 362e  .56,-180.5 1186.\n-0001ea80: 3732 2c2d 3136 382e 3534 2031 3231 312e  72,-168.54 1211.\n-0001ea90: 3536 2c2d 3134 312e 3734 2031 3232 352e  56,-141.74 1225.\n-0001eaa0: 3532 2c2d 3132 362e 3638 2031 3234 352e  52,-126.68 1245.\n-0001eab0: 3235 2c2d 3131 352e 3339 2031 3236 322e  25,-115.39 1262.\n-0001eac0: 3737 2c2d 3130 372e 3531 222f 3e0a 3c70  77,-107.51\"/>.<p\n-0001ead0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n-0001eae0: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n-0001eaf0: 6b22 2070 6f69 6e74 733d 2231 3236 342e  k\" points=\"1264.\n-0001eb00: 3339 2c2d 3131 302e 3632 2031 3237 322e  39,-110.62 1272.\n-0001eb10: 3233 2c2d 3130 332e 3439 2031 3236 312e  23,-103.49 1261.\n-0001eb20: 3635 2c2d 3130 342e 3138 2031 3236 342e  65,-104.18 1264.\n-0001eb30: 3339 2c2d 3131 302e 3632 222f 3e0a 3c2f  39,-110.62\"/>.</\n-0001eb40: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-0001eb50: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-0001eb60: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-0001eb70: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-0001eb80: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-0001eb90: 6765 3230 3222 2063 6c61 7373 3d22 6564  ge202\" class=\"ed\n-0001eba0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001ebb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001ebc0: 6d78 6c69 6226 2334 353b 2667 743b 6d6f  mxlib&#45;&gt;mo\n-0001ebd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001ebe0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n-0001ebf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0001ec00: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-0001ec10: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0001ec20: 6179 3d22 352c 3222 2064 3d22 4d31 3531  ay=\"5,2\" d=\"M151\n-0001ec30: 342e 3134 2c2d 3833 352e 3631 4331 3530  4.14,-835.61C150\n-0001ec40: 312e 3734 2c2d 3832 362e 3435 2031 3438  1.74,-826.45 148\n-0001ec50: 362e 3732 2c2d 3831 322e 3136 2031 3437  6.72,-812.16 147\n-0001ec60: 362e 3536 2c2d 3739 372e 3331 2031 3435  6.56,-797.31 145\n-0001ec70: 392e 3239 2c2d 3737 322e 3036 2031 3435  9.29,-772.06 145\n-0001ec80: 372e 3731 2c2d 3736 332e 3633 2031 3434  7.71,-763.63 144\n-0001ec90: 382e 3536 2c2d 3733 342e 3434 2031 3430  8.56,-734.44 140\n-0001eca0: 352e 3034 2c2d 3539 352e 3632 2031 3432  5.04,-595.62 142\n-0001ecb0: 392e 3536 2c2d 3535 332e 3134 2031 3432  9.56,-553.14 142\n-0001ecc0: 392e 3536 2c2d 3430 372e 3636 2031 3432  9.56,-407.66 142\n-0001ecd0: 392e 3536 2c2d 3430 372e 3636 2031 3432  9.56,-407.66 142\n-0001ece0: 392e 3536 2c2d 3430 372e 3636 2031 3432  9.56,-407.66 142\n-0001ecf0: 392e 3536 2c2d 3334 322e 3739 2031 3432  9.56,-342.79 142\n-0001ed00: 392e 3536 2c2d 3330 382e 3636 2031 3432  9.56,-308.66 142\n-0001ed10: 302e 3038 2c2d 3239 312e 3236 2031 3434  0.08,-291.26 144\n-0001ed20: 342e 3536 2c2d 3236 372e 3438 2031 3438  4.56,-267.48 148\n-0001ed30: 302e 3032 2c2d 3233 332e 3033 2031 3632  0.02,-233.03 162\n-0001ed40: 392e 3332 2c2d 3232 322e 3933 2031 3730  9.32,-222.93 170\n-0001ed50: 312e 3034 2c2d 3232 302e 3122 2f3e 0a3c  1.04,-220.1\"/>.<\n-0001ed60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-0001ed70: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-0001ed80: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-0001ed90: 3137 3031 2e31 372c 2d32 3233 2e36 2031  1701.17,-223.6 1\n-0001eda0: 3731 312e 3034 2c2d 3231 392e 3733 2031  711.04,-219.73 1\n-0001edb0: 3730 302e 3932 2c2d 3231 362e 3620 3137  700.92,-216.6 17\n-0001edc0: 3031 2e31 372c 2d32 3233 2e36 222f 3e0a  01.17,-223.6\"/>.\n-0001edd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001ede0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-0001edf0: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0001ee00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0001ee10: 6162 6c65 7320 2d2d 3e0a 3c67 2069 643d  ables -->.<g id=\n-0001ee20: 2265 6467 6532 3033 2220 636c 6173 733d  \"edge203\" class=\n-0001ee30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001ee40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001ee50: 735f 676d 786c 6962 2623 3435 3b26 6774  s_gmxlib&#45;&gt\n-0001ee60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001ee70: 6163 735f 7461 626c 6573 3c2f 7469 746c  acs_tables</titl\n-0001ee80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001ee90: 6f6e 6522 2073 7472 6f6b 653d 2223 3263  one\" stroke=\"#2c\n-0001eea0: 6363 3238 2220 7374 726f 6b65 2d64 6173  cc28\" stroke-das\n-0001eeb0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0001eec0: 4d31 3530 312e 3638 2c2d 3834 352e 3334  M1501.68,-845.34\n-0001eed0: 4331 3339 302e 372c 2d38 3433 2e36 3220  C1390.7,-843.62 \n-0001eee0: 3130 3236 2e31 312c 2d38 3335 2e30 3920  1026.11,-835.09 \n-0001eef0: 3939 312e 3536 2c2d 3739 372e 3331 2039  991.56,-797.31 9\n-0001ef00: 3833 2e35 2c2d 3738 382e 3520 3938 372e  83.5,-788.5 987.\n-0001ef10: 3037 2c2d 3738 312e 3531 2039 3931 2e35  07,-781.51 991.5\n-0001ef20: 362c 2d37 3730 2e34 3420 3130 3036 2e31  6,-770.44 1006.1\n-0001ef30: 392c 2d37 3334 2e33 3620 3130 3233 2e39  9,-734.36 1023.9\n-0001ef40: 362c 2d37 3333 2e39 3920 3130 3532 2e35  6,-733.99 1052.5\n-0001ef50: 362c 2d37 3037 2e35 3720 3130 3534 2e30  6,-707.57 1054.0\n-0001ef60: 372c 2d37 3036 2e31 3820 3135 3036 2e37  7,-706.18 1506.7\n-0001ef70: 382c 2d33 3331 2e33 3820 3135 3038 2e35  8,-331.38 1508.5\n-0001ef80: 362c 2d33 3330 2e33 3520 3135 3336 2e30  6,-330.35 1536.0\n-0001ef90: 372c 2d33 3134 2e35 3220 3137 3538 2e34  7,-314.52 1758.4\n-0001efa0: 312c 2d32 3537 2e35 3220 3137 3736 2e35  1,-257.52 1776.5\n-0001efb0: 362c 2d32 3331 2e34 3820 3137 3833 2e33  6,-231.48 1783.3\n-0001efc0: 392c 2d32 3231 2e36 3820 3137 3834 2e37  9,-221.68 1784.7\n-0001efd0: 2c2d 3231 332e 3335 2031 3737 362e 3536  ,-213.35 1776.56\n-0001efe0: 2c2d 3230 342e 3631 2031 3733 322e 3437  ,-204.61 1732.47\n-0001eff0: 2c2d 3135 372e 3320 3132 3732 2e31 372c  ,-157.3 1272.17,\n-0001f000: 2d31 3535 2e33 3620 3131 3330 2e37 2c2d  -155.36 1130.7,-\n-0001f010: 3135 352e 3922 2f3e 0a3c 706f 6c79 676f  155.9\"/>.<polygo\n-0001f020: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n-0001f030: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-0001f040: 2220 706f 696e 7473 3d22 3131 3330 2e32  \" points=\"1130.2\n-0001f050: 392c 2d31 3532 2e34 2031 3132 302e 332c  9,-152.4 1120.3,\n-0001f060: 2d31 3535 2e39 3420 3131 3330 2e33 322c  -155.94 1130.32,\n-0001f070: 2d31 3539 2e34 2031 3133 302e 3239 2c2d  -159.4 1130.29,-\n-0001f080: 3135 322e 3422 2f3e 0a3c 2f67 3e0a 3c21  152.4\"/>.</g>.<!\n-0001f090: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001f0a0: 6f6d 6163 735f 676d 786c 6962 2623 3435  omacs_gmxlib&#45\n-0001f0b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001f0c0: 6772 6f6d 6163 735f 6577 616c 6420 2d2d  gromacs_ewald --\n-0001f0d0: 3e0a 3c67 2069 643d 2265 6467 6532 3031  >.<g id=\"edge201\n-0001f0e0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001f0f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001f100: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-0001f110: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001f120: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-0001f130: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n-0001f140: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001f150: 6b65 3d22 2332 6363 6332 3822 2073 7472  ke=\"#2ccc28\" str\n-0001f160: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0001f170: 2c32 2220 643d 224d 3135 3031 2e36 392c  ,2\" d=\"M1501.69,\n-0001f180: 2d38 3435 2e39 3943 3133 3836 2e37 362c  -845.99C1386.76,\n-0001f190: 2d38 3436 2e35 3420 3939 352e 3535 2c2d  -846.54 995.55,-\n-0001f1a0: 3834 352e 3038 2038 3832 2e35 362c 2d37  845.08 882.56,-7\n-0001f1b0: 3937 2e33 3120 3830 372e 3337 2c2d 3736  97.31 807.37,-76\n-0001f1c0: 352e 3532 2037 3631 2e35 362c 2d37 3430  5.52 761.56,-740\n-0001f1d0: 2e37 3720 3736 312e 3536 2c2d 3635 392e  .77 761.56,-659.\n-0001f1e0: 3134 2037 3631 2e35 362c 2d36 3539 2e31  14 761.56,-659.1\n-0001f1f0: 3420 3736 312e 3536 2c2d 3635 392e 3134  4 761.56,-659.14\n-0001f200: 2037 3631 2e35 362c 2d34 3035 2e36 3620   761.56,-405.66 \n-0001f210: 3736 312e 3536 2c2d 3335 392e 3535 2038  761.56,-359.55 8\n-0001f220: 3032 2e36 342c 2d33 3138 2e36 3820 3833  02.64,-318.68 83\n-0001f230: 312e 3533 2c2d 3239 372e 3432 222f 3e0a  1.53,-297.42\"/>.\n-0001f240: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0001f250: 3263 6363 3238 2220 7374 726f 6b65 3d22  2ccc28\" stroke=\"\n-0001f260: 2332 6363 6332 3822 2070 6f69 6e74 733d  #2ccc28\" points=\n-0001f270: 2238 3333 2e38 362c 2d33 3030 2e30 3620  \"833.86,-300.06 \n-0001f280: 3834 302e 3035 2c2d 3239 312e 3437 2038  840.05,-291.47 8\n-0001f290: 3239 2e38 352c 2d32 3934 2e33 3320 3833  29.85,-294.33 83\n-0001f2a0: 332e 3836 2c2d 3330 302e 3036 222f 3e0a  3.86,-300.06\"/>.\n-0001f2b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001f2c0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n-0001f2d0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n-0001f2e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001f2f0: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n-0001f300: 2265 6467 6532 3035 2220 636c 6173 733d  \"edge205\" class=\n-0001f310: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001f320: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001f330: 735f 746f 6f6c 7326 2334 353b 2667 743b  s_tools&#45;&gt;\n-0001f340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001f350: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-0001f360: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001f370: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-0001f380: 6266 6266 2220 643d 224d 3130 3031 2e34  bfbf\" d=\"M1001.4\n-0001f390: 342c 2d31 3135 392e 3343 3130 3936 2e33  4,-1159.3C1096.3\n-0001f3a0: 352c 2d31 3135 362e 3234 2031 3431 352e  5,-1156.24 1415.\n-0001f3b0: 322c 2d31 3134 332e 3735 2031 3531 312e  2,-1143.75 1511.\n-0001f3c0: 3536 2c2d 3131 3131 2e36 3620 3135 3732  56,-1111.66 1572\n-0001f3d0: 2e30 322c 2d31 3039 312e 3533 2031 3633  .02,-1091.53 163\n-0001f3e0: 332e 3536 2c2d 3131 3030 2e30 3820 3136  3.56,-1100.08 16\n-0001f3f0: 3333 2e35 362c 2d31 3033 362e 3336 2031  33.56,-1036.36 1\n-0001f400: 3633 332e 3536 2c2d 3130 3336 2e33 3620  633.56,-1036.36 \n-0001f410: 3136 3333 2e35 362c 2d31 3033 362e 3336  1633.56,-1036.36\n-0001f420: 2031 3633 332e 3536 2c2d 3937 312e 3439   1633.56,-971.49\n-0001f430: 2031 3633 332e 3536 2c2d 3930 392e 3834   1633.56,-909.84\n-0001f440: 2031 3630 392e 3934 2c2d 3838 332e 3632   1609.94,-883.62\n-0001f450: 2031 3634 352e 3536 2c2d 3833 332e 3331   1645.56,-833.31\n-0001f460: 2031 3635 342e 3237 2c2d 3832 312e 3031   1654.27,-821.01\n-0001f470: 2031 3638 382e 3631 2c2d 3830 362e 3736   1688.61,-806.76\n-0001f480: 2031 3731 362e 3037 2c2d 3739 362e 3932   1716.07,-796.92\n-0001f490: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001f4a0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0001f4b0: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0001f4c0: 6e74 733d 2231 3731 372e 3533 2c2d 3830  nts=\"1717.53,-80\n-0001f4d0: 302e 3131 2031 3732 352e 3831 2c2d 3739  0.11 1725.81,-79\n-0001f4e0: 332e 3520 3137 3135 2e32 322c 2d37 3933  3.5 1715.22,-793\n-0001f4f0: 2e35 3120 3137 3137 2e35 332c 2d38 3030  .51 1717.53,-800\n-0001f500: 2e31 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .11\"/>.</g>.<!--\n-0001f510: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001f520: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n-0001f530: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001f540: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n-0001f550: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001f560: 3230 3422 2063 6c61 7373 3d22 6564 6765  204\" class=\"edge\n-0001f570: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001f580: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n-0001f590: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n-0001f5a0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-0001f5b0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65  mmandline</title\n-0001f5c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001f5d0: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n-0001f5e0: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n-0001f5f0: 7261 793d 2235 2c32 2220 643d 224d 3934  ray=\"5,2\" d=\"M94\n-0001f600: 372e 3539 2c2d 3131 3539 2e34 3243 3834  7.59,-1159.42C84\n-0001f610: 332e 3131 2c2d 3131 3536 2e35 3720 3436  3.11,-1156.57 46\n-0001f620: 382e 3731 2c2d 3131 3434 2e31 3620 3432  8.71,-1144.16 42\n-0001f630: 372e 3536 2c2d 3131 3131 2e36 3620 3335  7.56,-1111.66 35\n-0001f640: 372e 3431 2c2d 3130 3536 2e32 3720 3335  7.41,-1056.27 35\n-0001f650: 302e 3536 2c2d 3132 3634 2e38 3520 3335  0.56,-1264.85 35\n-0001f660: 302e 3536 2c2d 3635 392e 3134 2033 3530  0.56,-659.14 350\n-0001f670: 2e35 362c 2d36 3539 2e31 3420 3335 302e  .56,-659.14 350.\n-0001f680: 3536 2c2d 3635 392e 3134 2033 3530 2e35  56,-659.14 350.5\n-0001f690: 362c 2d32 3739 2e39 3220 3335 302e 3536  6,-279.92 350.56\n-0001f6a0: 2c2d 3231 372e 3531 2033 3236 2e31 362c  ,-217.51 326.16,\n-0001f6b0: 2d31 3739 2e38 3820 3337 352e 3536 2c2d  -179.88 375.56,-\n-0001f6c0: 3134 312e 3734 2034 3039 2e37 382c 2d31  141.74 409.78,-1\n-0001f6d0: 3135 2e33 3120 3130 3338 2e33 2c2d 3939  15.31 1038.3,-99\n-0001f6e0: 2e31 3520 3132 3430 2e34 382c 2d39 342e  .15 1240.48,-94.\n-0001f6f0: 3632 222f 3e0a 3c70 6f6c 7967 6f6e 2066  62\"/>.<polygon f\n-0001f700: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-0001f710: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-0001f720: 733d 2231 3234 302e 3731 2c2d 3938 2e31  s=\"1240.71,-98.1\n-0001f730: 3220 3132 3530 2e36 332c 2d39 342e 3339  2 1250.63,-94.39\n-0001f740: 2031 3234 302e 3535 2c2d 3931 2e31 3220   1240.55,-91.12 \n-0001f750: 3132 3430 2e37 312c 2d39 382e 3132 222f  1240.71,-98.12\"/\n-0001f760: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001f770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0001f780: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n-0001f790: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001f7a0: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964  fileio -->.<g id\n-0001f7b0: 3d22 6564 6765 3230 3622 2063 6c61 7373  =\"edge206\" class\n-0001f7c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001f7d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001f7e0: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-0001f7f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001f800: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n-0001f810: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001f820: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-0001f830: 6266 6266 2220 643d 224d 3130 3031 2e36  bfbf\" d=\"M1001.6\n-0001f840: 332c 2d31 3135 392e 3336 4331 3039 382e  3,-1159.36C1098.\n-0001f850: 3935 2c2d 3131 3536 2e34 3620 3134 3237  95,-1156.46 1427\n-0001f860: 2e30 372c 2d31 3134 342e 3331 2031 3435  .07,-1144.31 145\n-0001f870: 392e 3536 2c2d 3131 3131 2e36 3620 3134  9.56,-1111.66 14\n-0001f880: 3734 2e39 312c 2d31 3039 362e 3234 2031  74.91,-1096.24 1\n-0001f890: 3439 352e 3733 2c2d 3737 312e 3437 2031  495.73,-771.47 1\n-0001f8a0: 3530 312e 322c 2d36 3831 2e38 3622 2f3e  501.2,-681.86\"/>\n-0001f8b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001f8c0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0001f8d0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0001f8e0: 3d22 3135 3034 2e37 2c2d 3638 312e 3839  =\"1504.7,-681.89\n-0001f8f0: 2031 3530 312e 3831 2c2d 3637 312e 3639   1501.81,-671.69\n-0001f900: 2031 3439 372e 3732 2c2d 3638 312e 3436   1497.72,-681.46\n-0001f910: 2031 3530 342e 372c 2d36 3831 2e38 3922   1504.7,-681.89\"\n-0001f920: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0001f930: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001f940: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n-0001f950: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001f960: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964  _mdlib -->.<g id\n-0001f970: 3d22 6564 6765 3231 3322 2063 6c61 7373  =\"edge213\" class\n-0001f980: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001f990: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001f9a0: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-0001f9b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001f9c0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65  acs_mdlib</title\n-0001f9d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001f9e0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-0001f9f0: 6662 6622 2064 3d22 4d39 3835 2e37 2c2d  fbf\" d=\"M985.7,-\n-0001fa00: 3131 3438 2e36 3143 3130 3431 2e37 362c  1148.61C1041.76,\n-0001fa10: 2d31 3039 302e 3639 2031 3239 322e 352c  -1090.69 1292.5,\n-0001fa20: 2d38 3239 2e36 3520 3133 3531 2e35 362c  -829.65 1351.56,\n-0001fa30: 2d37 3334 2e34 3420 3134 3333 2e37 2c2d  -734.44 1433.7,-\n-0001fa40: 3630 322e 3033 2031 3437 382e 3536 2c2d  602.03 1478.56,-\n-0001fa50: 3536 332e 3438 2031 3437 382e 3536 2c2d  563.48 1478.56,-\n-0001fa60: 3430 372e 3636 2031 3437 382e 3536 2c2d  407.66 1478.56,-\n-0001fa70: 3430 372e 3636 2031 3437 382e 3536 2c2d  407.66 1478.56,-\n-0001fa80: 3430 372e 3636 2031 3437 382e 3536 2c2d  407.66 1478.56,-\n-0001fa90: 3334 322e 3739 2031 3437 382e 3536 2c2d  342.79 1478.56,-\n-0001faa0: 3330 362e 3432 2031 3438 322e 3438 2c2d  306.42 1482.48,-\n-0001fab0: 3239 302e 3539 2031 3531 302e 3536 2c2d  290.59 1510.56,-\n-0001fac0: 3236 372e 3438 2031 3533 392e 3336 2c2d  267.48 1539.36,-\n-0001fad0: 3234 332e 3738 2031 3634 342e 3631 2c2d  243.78 1644.61,-\n-0001fae0: 3232 392e 3136 2031 3730 312e 3836 2c2d  229.16 1701.86,-\n-0001faf0: 3232 322e 3739 222f 3e0a 3c70 6f6c 7967  222.79\"/>.<polyg\n-0001fb00: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-0001fb10: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0001fb20: 6622 2070 6f69 6e74 733d 2231 3730 322e  f\" points=\"1702.\n-0001fb30: 342c 2d32 3236 2e32 3520 3137 3131 2e39  4,-226.25 1711.9\n-0001fb40: 362c 2d32 3231 2e37 2031 3730 312e 3634  6,-221.7 1701.64\n-0001fb50: 2c2d 3231 392e 3239 2031 3730 322e 342c  ,-219.29 1702.4,\n-0001fb60: 2d32 3236 2e32 3522 2f3e 0a3c 2f67 3e0a  -226.25\"/>.</g>.\n-0001fb70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001fb80: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n-0001fb90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001fba0: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e  _gromacs_fft -->\n-0001fbb0: 0a3c 6720 6964 3d22 6564 6765 3231 3222  .<g id=\"edge212\"\n-0001fbc0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001fbd0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001fbe0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n-0001fbf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001fc00: 635f 6772 6f6d 6163 735f 6666 743c 2f74  c_gromacs_fft</t\n-0001fc10: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001fc20: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001fc30: 2362 6662 6662 6622 2064 3d22 4d39 3437  #bfbfbf\" d=\"M947\n-0001fc40: 2e34 352c 2d31 3135 392e 3238 4338 3333  .45,-1159.28C833\n-0001fc50: 2e38 322c 2d31 3135 352e 3639 2033 3939  .82,-1155.69 399\n-0001fc60: 2e33 312c 2d31 3134 302e 3139 2033 3435  .31,-1140.19 345\n-0001fc70: 2e35 362c 2d31 3131 312e 3636 2032 3534  .56,-1111.66 254\n-0001fc80: 2e36 332c 2d31 3036 332e 3431 2032 3330  .63,-1063.41 230\n-0001fc90: 2e35 362c 2d31 3031 332e 3535 2032 3330  .56,-1013.55 230\n-0001fca0: 2e35 362c 2d39 3130 2e36 3220 3233 302e  .56,-910.62 230.\n-0001fcb0: 3536 2c2d 3931 302e 3632 2032 3330 2e35  56,-910.62 230.5\n-0001fcc0: 362c 2d39 3130 2e36 3220 3233 302e 3536  6,-910.62 230.56\n-0001fcd0: 2c2d 3334 322e 3739 2032 3330 2e35 362c  ,-342.79 230.56,\n-0001fce0: 2d33 3038 2e36 3620 3233 312e 3131 2c2d  -308.66 231.11,-\n-0001fcf0: 3239 382e 3420 3234 352e 3536 2c2d 3236  298.4 245.56,-26\n-0001fd00: 372e 3438 2032 3530 2e36 322c 2d32 3536  7.48 250.62,-256\n-0001fd10: 2e36 3620 3235 382e 3539 2c2d 3234 362e  .66 258.59,-246.\n-0001fd20: 3134 2032 3636 2e30 312c 2d32 3337 2e36  14 266.01,-237.6\n-0001fd30: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n-0001fd40: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-0001fd50: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-0001fd60: 696e 7473 3d22 3236 382e 3634 2c2d 3234  ints=\"268.64,-24\n-0001fd70: 3020 3237 322e 3834 2c2d 3233 302e 3238  0 272.84,-230.28\n-0001fd80: 2032 3633 2e34 392c 2d32 3335 2e32 3620   263.49,-235.26 \n-0001fd90: 3236 382e 3634 2c2d 3234 3022 2f3e 0a3c  268.64,-240\"/>.<\n-0001fda0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001fdb0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c  src_gromacs_tool\n-0001fdc0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0001fdd0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-0001fde0: 756e 202d 2d3e 0a3c 6720 6964 3d22 6564  un -->.<g id=\"ed\n-0001fdf0: 6765 3230 3822 2063 6c61 7373 3d22 6564  ge208\" class=\"ed\n-0001fe00: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001fe10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0001fe20: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n-0001fe30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001fe40: 6d64 7275 6e3c 2f74 6974 6c65 3e0a 3c70  mdrun</title>.<p\n-0001fe50: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001fe60: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0001fe70: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0001fe80: 793d 2235 2c32 2220 643d 224d 3939 312e  y=\"5,2\" d=\"M991.\n-0001fe90: 3434 2c2d 3131 3530 2e33 3843 3130 3334  44,-1150.38C1034\n-0001fea0: 2e35 392c 2d31 3132 352e 3237 2031 3135  .59,-1125.27 115\n-0001feb0: 312e 3832 2c2d 3130 3535 2e33 3520 3132  1.82,-1055.35 12\n-0001fec0: 3431 2e35 362c 2d39 3835 2e39 3220 3133  41.56,-985.92 13\n-0001fed0: 3033 2e33 392c 2d39 3338 2e30 3820 3133  03.39,-938.08 13\n-0001fee0: 3230 2e32 342c 2d39 3234 2e35 3820 3133  20.24,-924.58 13\n-0001fef0: 3634 2e35 362c 2d38 3630 2e31 3820 3133  64.56,-860.18 13\n-0001ff00: 3832 2e35 372c 2d38 3334 2e30 3120 3133  82.57,-834.01 13\n-0001ff10: 3834 2e35 332c 2d38 3235 2e38 3120 3133  84.53,-825.81 13\n-0001ff20: 3938 2e35 362c 2d37 3937 2e33 3120 3134  98.56,-797.31 14\n-0001ff30: 3331 2e33 362c 2d37 3330 2e36 3920 3134  31.36,-730.69 14\n-0001ff40: 3237 2e35 372c 2d37 3037 2e39 2031 3436  27.57,-707.9 146\n-0001ff50: 362e 3536 2c2d 3634 342e 3720 3135 3034  6.56,-644.7 1504\n-0001ff60: 2e34 392c 2d35 3833 2e32 3220 3135 3134  .49,-583.22 1514\n-0001ff70: 2e35 352c 2d35 3635 2e37 3920 3135 3639  .55,-565.79 1569\n-0001ff80: 2e35 362c 2d35 3138 2e39 3620 3135 3933  .56,-518.96 1593\n-0001ff90: 2e38 322c 2d34 3938 2e33 2031 3630 362e  .82,-498.3 1606.\n-0001ffa0: 3131 2c2d 3530 322e 3133 2031 3633 312e  11,-502.13 1631.\n-0001ffb0: 3536 2c2d 3438 322e 3936 2031 3634 352e  56,-482.96 1645.\n-0001ffc0: 3334 2c2d 3437 322e 3539 2031 3634 352e  34,-472.59 1645.\n-0001ffd0: 3039 2c2d 3436 352e 3438 2031 3635 392e  09,-465.48 1659.\n-0001ffe0: 3536 2c2d 3435 362e 3039 2031 3638 352e  56,-456.09 1685.\n-0001fff0: 3837 2c2d 3433 392e 3031 2031 3731 392e  87,-439.01 1719.\n-00020000: 3138 2c2d 3432 362e 3038 2031 3734 332e  18,-426.08 1743.\n-00020010: 3837 2c2d 3431 372e 3922 2f3e 0a3c 706f  87,-417.9\"/>.<po\n-00020020: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00020030: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00020040: 3266 6363 2220 706f 696e 7473 3d22 3137  2fcc\" points=\"17\n-00020050: 3435 2e30 392c 2d34 3231 2e31 3820 3137  45.09,-421.18 17\n-00020060: 3533 2e35 342c 2d34 3134 2e37 3820 3137  53.54,-414.78 17\n-00020070: 3432 2e39 352c 2d34 3134 2e35 3220 3137  42.95,-414.52 17\n-00020080: 3435 2e30 392c 2d34 3231 2e31 3822 2f3e  45.09,-421.18\"/>\n-00020090: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000200a0: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n-000200b0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475  ols&#45;&gt;modu\n-000200c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-000200d0: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22  wald -->.<g id=\"\n-000200e0: 6564 6765 3231 3122 2063 6c61 7373 3d22  edge211\" class=\"\n-000200f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00020100: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00020110: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n-00020120: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00020130: 735f 6577 616c 643c 2f74 6974 6c65 3e0a  s_ewald</title>.\n-00020140: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00020150: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00020160: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00020170: 7261 793d 2235 2c32 2220 643d 224d 3934  ray=\"5,2\" d=\"M94\n-00020180: 372e 3439 2c2d 3131 3539 2e35 3743 3834  7.49,-1159.57C84\n-00020190: 302e 3139 2c2d 3131 3536 2e37 3820 3435  0.19,-1156.78 45\n-000201a0: 302e 3536 2c2d 3131 3339 2e35 3320 3435  0.56,-1139.53 45\n-000201b0: 302e 3536 2c2d 3130 3336 2e33 3620 3435  0.56,-1036.36 45\n-000201c0: 302e 3536 2c2d 3130 3336 2e33 3620 3435  0.56,-1036.36 45\n-000201d0: 302e 3536 2c2d 3130 3336 2e33 3620 3435  0.56,-1036.36 45\n-000201e0: 302e 3536 2c2d 3834 352e 3735 2034 3530  0.56,-845.75 450\n-000201f0: 2e35 362c 2d37 3738 2e34 3420 3438 332e  .56,-778.44 483.\n-00020200: 3232 2c2d 3736 382e 3135 2035 3132 2e35  22,-768.15 512.5\n-00020210: 362c 2d37 3037 2e35 3720 3533 362e 3838  6,-707.57 536.88\n-00020220: 2c2d 3635 372e 3337 2035 3730 2e35 362c  ,-657.37 570.56,\n-00020230: 2d36 3532 2e30 3520 3537 302e 3536 2c2d  -652.05 570.56,-\n-00020240: 3539 362e 3237 2035 3730 2e35 362c 2d35  596.27 570.56,-5\n-00020250: 3936 2e32 3720 3537 302e 3536 2c2d 3539  96.27 570.56,-59\n-00020260: 362e 3237 2035 3730 2e35 362c 2d34 3035  6.27 570.56,-405\n-00020270: 2e36 3620 3537 302e 3536 2c2d 3336 382e  .66 570.56,-368.\n-00020280: 3933 2035 3735 2e37 322c 2d33 3533 2e30  93 575.72,-353.0\n-00020290: 3820 3630 342e 3536 2c2d 3333 302e 3335  8 604.56,-330.35\n-000202a0: 2036 3337 2e34 372c 2d33 3034 2e34 3120   637.47,-304.41 \n-000202b0: 3735 372e 3437 2c2d 3239 302e 3534 2038  757.47,-290.54 8\n-000202c0: 3230 2e30 332c 2d32 3834 2e39 3422 2f3e  20.03,-284.94\"/>\n-000202d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000202e0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-000202f0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00020300: 3d22 3832 302e 3633 2c2d 3238 382e 3420  =\"820.63,-288.4 \n-00020310: 3833 302e 3238 2c2d 3238 342e 3035 2038  830.28,-284.05 8\n-00020320: 3230 2e30 322c 2d32 3831 2e34 3320 3832  20.02,-281.43 82\n-00020330: 302e 3633 2c2d 3238 382e 3422 2f3e 0a3c  0.63,-288.4\"/>.<\n-00020340: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00020350: 7372 635f 6772 6f6d 6163 735f 746f 6f6c  src_gromacs_tool\n-00020360: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00020370: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-00020380: 6a65 6374 6f72 7920 2d2d 3e0a 3c67 2069  jectory -->.<g i\n-00020390: 643d 2265 6467 6532 3039 2220 636c 6173  d=\"edge209\" clas\n-000203a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000203b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000203c0: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n-000203d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000203e0: 6d61 6373 5f74 7261 6a65 6374 6f72 793c  macs_trajectory<\n-000203f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00020400: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00020410: 3d22 2362 6662 6662 6622 2064 3d22 4d39  =\"#bfbfbf\" d=\"M9\n-00020420: 3437 2e33 372c 2d31 3136 302e 3031 4338  47.37,-1160.01C8\n-00020430: 3336 2e38 392c 2d31 3135 392e 3339 2034  36.89,-1159.39 4\n-00020440: 3231 2e35 372c 2d31 3135 342e 3231 2032  21.57,-1154.21 2\n-00020450: 3938 2e35 362c 2d31 3131 312e 3636 2032  98.56,-1111.66 2\n-00020460: 3433 2e32 362c 2d31 3039 322e 3533 2031  43.26,-1092.53 1\n-00020470: 3930 2e35 362c 2d31 3039 342e 3837 2031  90.56,-1094.87 1\n-00020480: 3930 2e35 362c 2d31 3033 362e 3336 2031  90.56,-1036.36 1\n-00020490: 3930 2e35 362c 2d31 3033 362e 3336 2031  90.56,-1036.36 1\n-000204a0: 3930 2e35 362c 2d31 3033 362e 3336 2031  90.56,-1036.36 1\n-000204b0: 3930 2e35 362c 2d34 3035 2e36 3620 3139  90.56,-405.66 19\n-000204c0: 302e 3536 2c2d 3331 322e 3636 2031 3831  0.56,-312.66 181\n-000204d0: 2e33 322c 2d32 3638 2e38 3620 3234 382e  .32,-268.86 248.\n-000204e0: 3536 2c2d 3230 342e 3631 2032 3730 2e34  56,-204.61 270.4\n-000204f0: 342c 2d31 3833 2e37 3120 3335 302e 3433  4,-183.71 350.43\n-00020500: 2c2d 3136 392e 3420 3430 322e 3935 2c2d  ,-169.4 402.95,-\n-00020510: 3136 322e 3032 222f 3e0a 3c70 6f6c 7967  162.02\"/>.<polyg\n-00020520: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00020530: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00020540: 6622 2070 6f69 6e74 733d 2234 3033 2e36  f\" points=\"403.6\n-00020550: 332c 2d31 3635 2e34 3620 3431 332e 3036  3,-165.46 413.06\n-00020560: 2c2d 3136 302e 3633 2034 3032 2e36 382c  ,-160.63 402.68,\n-00020570: 2d31 3538 2e35 3220 3430 332e 3633 2c2d  -158.52 403.63,-\n-00020580: 3136 352e 3436 222f 3e0a 3c2f 673e 0a3c  165.46\"/>.</g>.<\n-00020590: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000205a0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n-000205b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000205c0: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n-000205d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231  ->.<g id=\"edge21\n-000205e0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-000205f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00020600: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00020610: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00020620: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-00020630: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-00020640: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00020650: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00020660: 224d 3130 3031 2e35 352c 2d31 3135 392e  \"M1001.55,-1159.\n-00020670: 3436 4331 3130 332e 3532 2c2d 3131 3536  46C1103.52,-1156\n-00020680: 2e38 3120 3134 3631 2e33 352c 2d31 3134  .81 1461.35,-114\n-00020690: 352e 3137 2031 3439 382e 3536 2c2d 3131  5.17 1498.56,-11\n-000206a0: 3131 2e36 3620 3135 3233 2e39 322c 2d31  11.66 1523.92,-1\n-000206b0: 3038 382e 3832 2031 3531 332e 3536 2c2d  088.82 1513.56,-\n-000206c0: 3130 3730 2e34 3820 3135 3133 2e35 362c  1070.48 1513.56,\n-000206d0: 2d31 3033 362e 3336 2031 3531 332e 3536  -1036.36 1513.56\n-000206e0: 2c2d 3130 3336 2e33 3620 3135 3133 2e35  ,-1036.36 1513.5\n-000206f0: 362c 2d31 3033 362e 3336 2031 3531 332e  6,-1036.36 1513.\n-00020700: 3536 2c2d 3937 312e 3439 2031 3531 332e  56,-971.49 1513.\n-00020710: 3536 2c2d 3933 352e 3636 2031 3532 312e  56,-935.66 1521.\n-00020720: 3833 2c2d 3839 342e 3734 2031 3532 372e  83,-894.74 1527.\n-00020730: 3734 2c2d 3837 302e 3039 222f 3e0a 3c70  74,-870.09\"/>.<p\n-00020740: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00020750: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-00020760: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-00020770: 3533 312e 3136 2c2d 3837 302e 3833 2031  531.16,-870.83 1\n-00020780: 3533 302e 3137 2c2d 3836 302e 3238 2031  530.17,-860.28 1\n-00020790: 3532 342e 3336 2c2d 3836 392e 3135 2031  524.36,-869.15 1\n-000207a0: 3533 312e 3136 2c2d 3837 302e 3833 222f  531.16,-870.83\"/\n-000207b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000207c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-000207d0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n-000207e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000207f0: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964  random -->.<g id\n-00020800: 3d22 6564 6765 3231 3022 2063 6c61 7373  =\"edge210\" class\n-00020810: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00020820: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020830: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-00020840: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00020850: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c  acs_random</titl\n-00020860: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00020870: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61  one\" stroke=\"bla\n-00020880: 636b 2220 7374 726f 6b65 2d64 6173 6861  ck\" stroke-dasha\n-00020890: 7272 6179 3d22 352c 3222 2064 3d22 4d39  rray=\"5,2\" d=\"M9\n-000208a0: 3437 2e33 382c 2d31 3135 392e 3931 4338  47.38,-1159.91C8\n-000208b0: 3536 2e35 352c 2d31 3135 382e 3839 2035  56.55,-1158.89 5\n-000208c0: 3634 2e36 352c 2d31 3135 322e 3435 2034  64.65,-1152.45 4\n-000208d0: 3831 2e35 362c 2d31 3131 312e 3636 2034  81.56,-1111.66 4\n-000208e0: 3430 2e32 372c 2d31 3039 312e 3339 2034  40.27,-1091.39 4\n-000208f0: 3130 2e35 362c 2d31 3038 322e 3336 2034  10.56,-1082.36 4\n-00020900: 3130 2e35 362c 2d31 3033 362e 3336 2034  10.56,-1036.36 4\n-00020910: 3130 2e35 362c 2d31 3033 362e 3336 2034  10.56,-1036.36 4\n-00020920: 3130 2e35 362c 2d31 3033 362e 3336 2034  10.56,-1036.36 4\n-00020930: 3130 2e35 362c 2d34 3035 2e36 3620 3431  10.56,-405.66 41\n-00020940: 302e 3536 2c2d 3330 332e 3337 2034 3330  0.56,-303.37 430\n-00020950: 2e35 382c 2d32 3439 2e33 3620 3532 322e  .58,-249.36 522.\n-00020960: 3536 2c2d 3230 342e 3631 2036 3032 2e31  56,-204.61 602.1\n-00020970: 332c 2d31 3635 2e39 2037 3037 2e30 362c  3,-165.9 707.06,\n-00020980: 2d31 3537 2e34 3620 3736 352e 3739 2c2d  -157.46 765.79,-\n-00020990: 3135 362e 3031 222f 3e0a 3c70 6f6c 7967  156.01\"/>.<polyg\n-000209a0: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n-000209b0: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n-000209c0: 6f69 6e74 733d 2237 3635 2e39 322c 2d31  oints=\"765.92,-1\n-000209d0: 3539 2e35 3120 3737 352e 3835 2c2d 3135  59.51 775.85,-15\n-000209e0: 352e 3832 2037 3635 2e37 392c 2d31 3532  5.82 765.79,-152\n-000209f0: 2e35 3120 3736 352e 3932 2c2d 3135 392e  .51 765.92,-159.\n-00020a00: 3531 222f 3e0a 3c2f 673e 0a3c 212d 2d20  51\"/>.</g>.<!-- \n-00020a10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020a20: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-00020a30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00020a40: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-00020a50: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-00020a60: 6532 3135 2220 636c 6173 733d 2265 6467  e215\" class=\"edg\n-00020a70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00020a80: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n-00020a90: 6f6c 7326 2334 353b 2667 743b 6d6f 6475  ols&#45;&gt;modu\n-00020aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n-00020ab0: 6973 7465 645f 666f 7263 6573 3c2f 7469  isted_forces</ti\n-00020ac0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00020ad0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00020ae0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00020af0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00020b00: 3d22 4d31 3030 312e 352c 2d31 3135 392e  =\"M1001.5,-1159.\n-00020b10: 3534 4331 3131 302e 3035 2c2d 3131 3537  54C1110.05,-1157\n-00020b20: 2e30 3720 3135 3135 2e34 362c 2d31 3134  .07 1515.46,-114\n-00020b30: 352e 3732 2031 3633 382e 3536 2c2d 3131  5.72 1638.56,-11\n-00020b40: 3131 2e36 3620 3137 3336 2e30 342c 2d31  11.66 1736.04,-1\n-00020b50: 3038 342e 3639 2031 3833 392e 3632 2c2d  084.69 1839.62,-\n-00020b60: 3130 3231 2e37 3320 3138 3836 2e36 352c  1021.73 1886.65,\n-00020b70: 2d39 3931 222f 3e0a 3c70 6f6c 7967 6f6e  -991\"/>.<polygon\n-00020b80: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00020b90: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00020ba0: 2070 6f69 6e74 733d 2231 3838 382e 3837   points=\"1888.87\n-00020bb0: 2c2d 3939 332e 3733 2031 3839 352e 3238  ,-993.73 1895.28\n-00020bc0: 2c2d 3938 352e 3320 3138 3835 2e30 312c  ,-985.3 1885.01,\n-00020bd0: 2d39 3837 2e38 3920 3138 3838 2e38 372c  -987.89 1888.87,\n-00020be0: 2d39 3933 2e37 3322 2f3e 0a3c 2f67 3e0a  -993.73\"/>.</g>.\n-00020bf0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00020c00: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n-00020c10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00020c20: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00020c30: 726f 6365 7373 202d 2d3e 0a3c 6720 6964  rocess -->.<g id\n-00020c40: 3d22 6564 6765 3230 3722 2063 6c61 7373  =\"edge207\" class\n-00020c50: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00020c60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020c70: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-00020c80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00020c90: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00020ca0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-00020cb0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00020cc0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-00020cd0: 4d31 3030 302e 3439 2c2d 3131 3536 2e37  M1000.49,-1156.7\n-00020ce0: 3143 3130 3537 2e38 382c 2d31 3134 392e  1C1057.88,-1149.\n-00020cf0: 3134 2031 3139 392e 3937 2c2d 3131 3330  14 1199.97,-1130\n-00020d00: 2e31 3120 3133 3138 2e35 362c 2d31 3131  .11 1318.56,-111\n-00020d10: 312e 3636 2031 3332 342e 3432 2c2d 3131  1.66 1324.42,-11\n-00020d20: 3130 2e37 3520 3133 3330 2e35 342c 2d31  10.75 1330.54,-1\n-00020d30: 3130 392e 3736 2031 3333 362e 3633 2c2d  109.76 1336.63,-\n-00020d40: 3131 3038 2e37 3622 2f3e 0a3c 706f 6c79  1108.76\"/>.<poly\n-00020d50: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-00020d60: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-00020d70: 6266 2220 706f 696e 7473 3d22 3133 3337  bf\" points=\"1337\n-00020d80: 2e35 322c 2d31 3131 322e 3136 2031 3334  .52,-1112.16 134\n-00020d90: 362e 3831 2c2d 3131 3037 2e30 3620 3133  6.81,-1107.06 13\n-00020da0: 3336 2e33 372c 2d31 3130 352e 3235 2031  36.37,-1105.25 1\n-00020db0: 3333 372e 3532 2c2d 3131 3132 2e31 3622  337.52,-1112.16\"\n-00020dc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00020dd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00020de0: 7265 7374 7261 696e 7426 2334 353b 2667  restraint&#45;&g\n-00020df0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00020e00: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n-00020e10: 0a3c 6720 6964 3d22 6564 6765 3231 3822  .<g id=\"edge218\"\n-00020e20: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00020e30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00020e40: 5f67 726f 6d61 6373 5f72 6573 7472 6169  _gromacs_restrai\n-00020e50: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n-00020e60: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00020e70: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n-00020e80: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00020e90: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00020ea0: 2064 3d22 4d31 3535 322e 3936 2c2d 3335   d=\"M1552.96,-35\n-00020eb0: 372e 3336 4331 3534 362e 3935 2c2d 3431  7.36C1546.95,-41\n-00020ec0: 302e 3139 2031 3533 302e 3834 2c2d 3631  0.19 1530.84,-61\n-00020ed0: 362e 3839 2031 3632 382e 3536 2c2d 3733  6.89 1628.56,-73\n-00020ee0: 342e 3434 2031 3634 382e 3134 2c2d 3735  4.44 1648.14,-75\n-00020ef0: 3820 3136 3830 2e37 2c2d 3737 302e 3135  8 1680.7,-770.15\n-00020f00: 2031 3730 372e 3533 2c2d 3737 362e 3339   1707.53,-776.39\n-00020f10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00020f20: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00020f30: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-00020f40: 6e74 733d 2231 3730 362e 3939 2c2d 3737  nts=\"1706.99,-77\n-00020f50: 392e 3835 2031 3731 372e 352c 2d37 3738  9.85 1717.5,-778\n-00020f60: 2e35 2031 3730 382e 3434 2c2d 3737 3320  .5 1708.44,-773 \n-00020f70: 3137 3036 2e39 392c 2d37 3739 2e38 3522  1706.99,-779.85\"\n-00020f80: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00020f90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00020fa0: 7265 7374 7261 696e 7426 2334 353b 2667  restraint&#45;&g\n-00020fb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00020fc0: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n-00020fd0: 3c67 2069 643d 2265 6467 6532 3136 2220  <g id=\"edge216\" \n-00020fe0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00020ff0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00021000: 6772 6f6d 6163 735f 7265 7374 7261 696e  gromacs_restrain\n-00021010: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-00021020: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-00021030: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174  dec</title>.<pat\n-00021040: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00021050: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00021060: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00021070: 2235 2c32 2220 643d 224d 3135 3838 2e37  \"5,2\" d=\"M1588.7\n-00021080: 382c 2d33 3439 4331 3633 392e 3536 2c2d  8,-349C1639.56,-\n-00021090: 3335 352e 3731 2031 3733 372e 3539 2c2d  355.71 1737.59,-\n-000210a0: 3337 302e 3435 2031 3831 382e 3536 2c2d  370.45 1818.56,-\n-000210b0: 3339 332e 3232 2031 3837 382e 3332 2c2d  393.22 1878.32,-\n-000210c0: 3431 302e 3032 2031 3934 352e 332c 2d34  410.02 1945.3,-4\n-000210d0: 3337 2e37 3920 3139 3833 2e34 352c 2d34  37.79 1983.45,-4\n-000210e0: 3534 2e35 222f 3e0a 3c70 6f6c 7967 6f6e  54.5\"/>.<polygon\n-000210f0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00021100: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00021110: 2070 6f69 6e74 733d 2231 3938 322e 342c   points=\"1982.4,\n-00021120: 2d34 3537 2e38 3720 3139 3932 2e39 362c  -457.87 1992.96,\n-00021130: 2d34 3538 2e37 2031 3938 352e 3233 2c2d  -458.7 1985.23,-\n-00021140: 3435 312e 3436 2031 3938 322e 342c 2d34  451.46 1982.4,-4\n-00021150: 3537 2e38 3722 2f3e 0a3c 2f67 3e0a 3c21  57.87\"/>.</g>.<!\n-00021160: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00021170: 6f6d 6163 735f 7265 7374 7261 696e 7426  omacs_restraint&\n-00021180: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00021190: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-000211a0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n-000211b0: 6532 3137 2220 636c 6173 733d 2265 6467  e217\" class=\"edg\n-000211c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000211d0: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n-000211e0: 7374 7261 696e 7426 2334 353b 2667 743b  straint&#45;&gt;\n-000211f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021200: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-00021210: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00021220: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00021230: 6662 6622 2064 3d22 4d31 3534 382e 3833  fbf\" d=\"M1548.83\n-00021240: 2c2d 3335 372e 3134 4331 3532 352e 3139  ,-357.14C1525.19\n-00021250: 2c2d 3430 382e 3731 2031 3433 372e 3135  ,-408.71 1437.15\n-00021260: 2c2d 3630 372e 3133 2031 3435 312e 3536  ,-607.13 1451.56\n-00021270: 2c2d 3637 312e 3537 2031 3436 342e 3731  ,-671.57 1464.71\n-00021280: 2c2d 3733 302e 3339 2031 3530 302e 3033  ,-730.39 1500.03\n-00021290: 2c2d 3739 322e 3738 2031 3531 392e 3735  ,-792.78 1519.75\n-000212a0: 2c2d 3832 342e 3531 222f 3e0a 3c70 6f6c  ,-824.51\"/>.<pol\n-000212b0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-000212c0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-000212d0: 6662 6622 2070 6f69 6e74 733d 2231 3531  fbf\" points=\"151\n-000212e0: 372e 3033 2c2d 3832 362e 3736 2031 3532  7.03,-826.76 152\n-000212f0: 352e 3333 2c2d 3833 332e 3334 2031 3532  5.33,-833.34 152\n-00021300: 322e 3935 2c2d 3832 332e 3032 2031 3531  2.95,-823.02 151\n-00021310: 372e 3033 2c2d 3832 362e 3736 222f 3e0a  7.03,-826.76\"/>.\n-00021320: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00021330: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-00021340: 6a65 6374 6f72 7961 6e61 6c79 7369 7320  jectoryanalysis \n-00021350: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534  -->.<g id=\"node4\n-00021360: 3022 2063 6c61 7373 3d22 6e6f 6465 223e  0\" class=\"node\">\n-00021370: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00021380: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n-00021390: 6374 6f72 7961 6e61 6c79 7369 733c 2f74  ctoryanalysis</t\n-000213a0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n-000213b0: 6f64 6534 3022 3e3c 6120 786c 696e 6b3a  ode40\"><a xlink:\n-000213c0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n-000213d0: 756c 655f 5f74 7261 6a65 6374 6f72 7961  ule__trajectorya\n-000213e0: 6e61 6c79 7369 732e 7868 746d 6c22 2074  nalysis.xhtml\" t\n-000213f0: 6172 6765 743d 225f 746f 7022 2078 6c69  arget=\"_top\" xli\n-00021400: 6e6b 3a74 6974 6c65 3d22 7472 616a 6563  nk:title=\"trajec\n-00021410: 746f 7279 616e 616c 7973 6973 223e 0a3c  toryanalysis\">.<\n-00021420: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n-00021430: 6663 6363 6322 2073 7472 6f6b 653d 2262  fcccc\" stroke=\"b\n-00021440: 6c61 636b 2220 6378 3d22 3132 3132 2e35  lack\" cx=\"1212.5\n-00021450: 3622 2063 793d 222d 3738 332e 3838 2220  6\" cy=\"-783.88\" \n-00021460: 7278 3d22 3635 2e31 3122 2072 793d 2231  rx=\"65.11\" ry=\"1\n-00021470: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00021480: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00021490: 6522 2078 3d22 3132 3132 2e35 3622 2079  e\" x=\"1212.56\" y\n-000214a0: 3d22 2d37 3831 2e33 3822 2066 6f6e 742d  =\"-781.38\" font-\n-000214b0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-000214c0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-000214d0: 3030 223e 7472 616a 6563 746f 7279 616e  00\">trajectoryan\n-000214e0: 616c 7973 6973 3c2f 7465 7874 3e0a 3c2f  alysis</text>.</\n-000214f0: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n-00021500: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00021510: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n-00021520: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-00021530: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021540: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n-00021550: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231  ->.<g id=\"edge21\n-00021560: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00021570: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00021580: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n-00021590: 6374 6f72 7961 6e61 6c79 7369 7326 2334  ctoryanalysis&#4\n-000215a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000215b0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n-000215c0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061  line</title>.<pa\n-000215d0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000215e0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-000215f0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00021600: 3d22 352c 3222 2064 3d22 4d31 3230 352e  =\"5,2\" d=\"M1205.\n-00021610: 3031 2c2d 3737 302e 3234 4331 3139 392e  01,-770.24C1199.\n-00021620: 382c 2d37 3630 2e37 3620 3131 3933 2e33  8,-760.76 1193.3\n-00021630: 332c 2d37 3437 2e32 3620 3131 3930 2e35  3,-747.26 1190.5\n-00021640: 362c 2d37 3334 2e34 3420 3131 3838 2e30  6,-734.44 1188.0\n-00021650: 332c 2d37 3232 2e37 3720 3131 3839 2e38  3,-722.77 1189.8\n-00021660: 392c 2d37 3139 2e34 3920 3131 3930 2e35  9,-719.49 1190.5\n-00021670: 362c 2d37 3037 2e35 3720 3132 3031 2e32  6,-707.57 1201.2\n-00021680: 342c 2d35 3137 2e34 3920 3132 3338 2e35  4,-517.49 1238.5\n-00021690: 362c 2d34 3732 2e32 3920 3132 3338 2e35  6,-472.29 1238.5\n-000216a0: 362c 2d32 3831 2e39 3220 3132 3338 2e35  6,-281.92 1238.5\n-000216b0: 362c 2d32 3831 2e39 3220 3132 3338 2e35  6,-281.92 1238.5\n-000216c0: 362c 2d32 3831 2e39 3220 3132 3338 2e35  6,-281.92 1238.5\n-000216d0: 362c 2d32 3137 2e30 3520 3132 3338 2e35  6,-217.05 1238.5\n-000216e0: 362c 2d31 3736 2e37 3620 3132 3635 2e36  6,-176.76 1265.6\n-000216f0: 352c 2d31 3336 2e35 3220 3132 3834 2e35  5,-136.52 1284.5\n-00021700: 382c 2d31 3133 2e33 3222 2f3e 0a3c 706f  8,-113.32\"/>.<po\n-00021710: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00021720: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00021730: 3266 6363 2220 706f 696e 7473 3d22 3132  2fcc\" points=\"12\n-00021740: 3837 2e33 342c 2d31 3135 2e34 3720 3132  87.34,-115.47 12\n-00021750: 3931 2e31 322c 2d31 3035 2e35 3720 3132  91.12,-105.57 12\n-00021760: 3831 2e39 392c 2d31 3130 2e39 3520 3132  81.99,-110.95 12\n-00021770: 3837 2e33 342c 2d31 3135 2e34 3722 2f3e  87.34,-115.47\"/>\n-00021780: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00021790: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n-000217a0: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n-000217b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000217c0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-000217d0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n-000217e0: 6765 3232 3122 2063 6c61 7373 3d22 6564  ge221\" class=\"ed\n-000217f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00021800: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00021810: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n-00021820: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00021830: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-00021840: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174  eio</title>.<pat\n-00021850: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00021860: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00021870: 3d22 4d31 3233 392e 3036 2c2d 3737 312e  =\"M1239.06,-771.\n-00021880: 3537 4331 3239 332e 3431 2c2d 3734 382e  57C1293.41,-748.\n-00021890: 3338 2031 3431 372e 3039 2c2d 3639 352e  38 1417.09,-695.\n-000218a0: 3631 2031 3437 332e 3532 2c2d 3637 312e  61 1473.52,-671.\n-000218b0: 3533 222f 3e0a 3c70 6f6c 7967 6f6e 2066  53\"/>.<polygon f\n-000218c0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000218d0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-000218e0: 6f69 6e74 733d 2231 3437 352e 312c 2d36  oints=\"1475.1,-6\n-000218f0: 3734 2e36 3620 3134 3832 2e39 322c 2d36  74.66 1482.92,-6\n-00021900: 3637 2e35 3120 3134 3732 2e33 352c 2d36  67.51 1472.35,-6\n-00021910: 3638 2e32 3220 3134 3735 2e31 2c2d 3637  68.22 1475.1,-67\n-00021920: 342e 3636 222f 3e0a 3c2f 673e 0a3c 212d  4.66\"/>.</g>.<!-\n-00021930: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00021940: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n-00021950: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-00021960: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021970: 6373 5f73 7461 7469 7374 6963 7320 2d2d  cs_statistics --\n-00021980: 3e0a 3c67 2069 643d 2265 6467 6532 3236  >.<g id=\"edge226\n-00021990: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000219a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000219b0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-000219c0: 746f 7279 616e 616c 7973 6973 2623 3435  toryanalysis&#45\n-000219d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000219e0: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n-000219f0: 6373 3c2f 7469 746c 653e 0a3c 7061 7468  cs</title>.<path\n-00021a00: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00021a10: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00021a20: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00021a30: 352c 3222 2064 3d22 4d31 3139 312e 3136  5,2\" d=\"M1191.16\n-00021a40: 2c2d 3737 312e 3134 4331 3137 332e 3833  ,-771.14C1173.83\n-00021a50: 2c2d 3736 312e 3634 2031 3134 392e 3237  ,-761.64 1149.27\n-00021a60: 2c2d 3734 382e 3137 2031 3133 302e 3234  ,-748.17 1130.24\n-00021a70: 2c2d 3733 372e 3734 222f 3e0a 3c70 6f6c  ,-737.74\"/>.<pol\n-00021a80: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00021a90: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00021aa0: 6663 6322 2070 6f69 6e74 733d 2231 3133  fcc\" points=\"113\n-00021ab0: 312e 3836 2c2d 3733 342e 3633 2031 3132  1.86,-734.63 112\n-00021ac0: 312e 342c 2d37 3332 2e38 3920 3131 3238  1.4,-732.89 1128\n-00021ad0: 2e34 392c 2d37 3430 2e37 3720 3131 3331  .49,-740.77 1131\n-00021ae0: 2e38 362c 2d37 3334 2e36 3322 2f3e 0a3c  .86,-734.63\"/>.<\n-00021af0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00021b00: 7372 635f 6772 6f6d 6163 735f 7472 616a  src_gromacs_traj\n-00021b10: 6563 746f 7279 616e 616c 7973 6973 2623  ectoryanalysis&#\n-00021b20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00021b30: 635f 6772 6f6d 6163 735f 636f 6f72 6469  c_gromacs_coordi\n-00021b40: 6e61 7465 696f 202d 2d3e 0a3c 6720 6964  nateio -->.<g id\n-00021b50: 3d22 6564 6765 3232 3522 2063 6c61 7373  =\"edge225\" class\n-00021b60: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00021b70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021b80: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n-00021b90: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n-00021ba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00021bb0: 5f63 6f6f 7264 696e 6174 6569 6f3c 2f74  _coordinateio</t\n-00021bc0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00021bd0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00021be0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00021bf0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00021c00: 643d 224d 3132 3230 2e30 322c 2d37 3730  d=\"M1220.02,-770\n-00021c10: 2e32 3643 3132 3234 2e36 2c2d 3736 322e  .26C1224.6,-762.\n-00021c20: 3531 2031 3233 302e 362c 2d37 3532 2e33  51 1230.6,-752.3\n-00021c30: 3720 3132 3335 2e39 312c 2d37 3433 2e33  7 1235.91,-743.3\n-00021c40: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n-00021c50: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00021c60: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00021c70: 696e 7473 3d22 3132 3339 2e30 332c 2d37  ints=\"1239.03,-7\n-00021c80: 3434 2e39 3920 3132 3431 2e31 312c 2d37  44.99 1241.11,-7\n-00021c90: 3334 2e36 2031 3233 332e 3031 2c2d 3734  34.6 1233.01,-74\n-00021ca0: 312e 3433 2031 3233 392e 3033 2c2d 3734  1.43 1239.03,-74\n-00021cb0: 342e 3939 222f 3e0a 3c2f 673e 0a3c 212d  4.99\"/>.</g>.<!-\n-00021cc0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00021cd0: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n-00021ce0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-00021cf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021d00: 6373 5f67 6d78 616e 6120 2d2d 3e0a 3c67  cs_gmxana -->.<g\n-00021d10: 2069 643d 2265 6467 6532 3234 2220 636c   id=\"edge224\" cl\n-00021d20: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00021d30: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00021d40: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n-00021d50: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n-00021d60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00021d70: 6163 735f 676d 7861 6e61 3c2f 7469 746c  acs_gmxana</titl\n-00021d80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00021d90: 6f6e 6522 2073 7472 6f6b 653d 2223 3263  one\" stroke=\"#2c\n-00021da0: 6363 3238 2220 7374 726f 6b65 2d64 6173  cc28\" stroke-das\n-00021db0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00021dc0: 4d31 3237 372e 3337 2c2d 3738 352e 3443  M1277.37,-785.4C\n-00021dd0: 3134 3339 2e32 362c 2d37 3837 2e32 3820  1439.26,-787.28 \n-00021de0: 3138 3537 2e39 332c 2d37 3935 2e37 3420  1857.93,-795.74 \n-00021df0: 3139 3931 2e35 362c 2d38 3333 2e33 3120  1991.56,-833.31 \n-00021e00: 3230 3630 2e35 332c 2d38 3532 2e37 2032  2060.53,-852.7 2\n-00021e10: 3135 382e 3131 2c2d 3834 392e 3133 2032  158.11,-849.13 2\n-00021e20: 3131 302e 3536 2c2d 3932 332e 3035 2032  110.56,-923.05 2\n-00021e30: 3037 342e 312c 2d39 3739 2e37 3320 3230  074.1,-979.73 20\n-00021e40: 3338 2e31 312c 2d39 3730 2e32 3520 3139  38.11,-970.25 19\n-00021e50: 3732 2e35 362c 2d39 3835 2e39 3220 3137  72.56,-985.92 17\n-00021e60: 3535 2e33 382c 2d31 3033 372e 3833 2031  55.38,-1037.83 1\n-00021e70: 3034 352e 3234 2c2d 3130 3336 2e31 3720  045.24,-1036.17 \n-00021e80: 3835 382e 312c 2d31 3033 342e 3738 222f  858.1,-1034.78\"/\n-00021e90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00021ea0: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00021eb0: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n-00021ec0: 733d 2238 3538 2e30 382c 2d31 3033 312e  s=\"858.08,-1031.\n-00021ed0: 3238 2038 3438 2e30 352c 2d31 3033 342e  28 848.05,-1034.\n-00021ee0: 3720 3835 382e 3033 2c2d 3130 3338 2e32  7 858.03,-1038.2\n-00021ef0: 3820 3835 382e 3038 2c2d 3130 3331 2e32  8 858.08,-1031.2\n-00021f00: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n-00021f10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021f20: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n-00021f30: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n-00021f40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00021f50: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964  random -->.<g id\n-00021f60: 3d22 6564 6765 3232 3222 2063 6c61 7373  =\"edge222\" class\n-00021f70: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00021f80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021f90: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n-00021fa0: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n-00021fb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00021fc0: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a  _random</title>.\n-00021fd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00021fe0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00021ff0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00022000: 793d 2235 2c32 2220 643d 224d 3131 3634  y=\"5,2\" d=\"M1164\n-00022010: 2e38 332c 2d37 3734 2e37 3443 3130 3835  .83,-774.74C1085\n-00022020: 2e34 312c 2d37 3631 2e31 3920 3933 342e  .41,-761.19 934.\n-00022030: 3636 2c2d 3733 352e 3338 2039 3333 2e35  66,-735.38 933.5\n-00022040: 362c 2d37 3334 2e34 3420 3837 392e 3633  6,-734.44 879.63\n-00022050: 2c2d 3638 382e 3733 2038 3431 2e34 342c  ,-688.73 841.44,\n-00022060: 2d34 3338 2e31 3620 3832 302e 3536 2c2d  -438.16 820.56,-\n-00022070: 3239 342e 3335 2038 3134 2e37 2c2d 3235  294.35 814.7,-25\n-00022080: 332e 3938 2038 3132 2e32 312c 2d32 3036  3.98 812.21,-206\n-00022090: 2e34 3420 3831 312e 3231 2c2d 3137 382e  .44 811.21,-178.\n-000220a0: 3936 222f 3e0a 3c70 6f6c 7967 6f6e 2066  96\"/>.<polygon f\n-000220b0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-000220c0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-000220d0: 733d 2238 3134 2e37 2c2d 3137 382e 3639  s=\"814.7,-178.69\n-000220e0: 2038 3130 2e38 372c 2d31 3638 2e38 3120   810.87,-168.81 \n-000220f0: 3830 372e 372c 2d31 3738 2e39 3320 3831  807.7,-178.93 81\n-00022100: 342e 372c 2d31 3738 2e36 3922 2f3e 0a3c  4.7,-178.69\"/>.<\n-00022110: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00022120: 7372 635f 6772 6f6d 6163 735f 616e 616c  src_gromacs_anal\n-00022130: 7973 6973 6461 7461 202d 2d3e 0a3c 6720  ysisdata -->.<g \n-00022140: 6964 3d22 6e6f 6465 3433 2220 636c 6173  id=\"node43\" clas\n-00022150: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-00022160: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00022170: 6163 735f 616e 616c 7973 6973 6461 7461  acs_analysisdata\n-00022180: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n-00022190: 615f 6e6f 6465 3433 223e 3c61 2078 6c69  a_node43\"><a xli\n-000221a0: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n-000221b0: 6d6f 6475 6c65 5f5f 616e 616c 7973 6973  module__analysis\n-000221c0: 6461 7461 2e78 6874 6d6c 2220 7461 7267  data.xhtml\" targ\n-000221d0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-000221e0: 7469 746c 653d 2261 6e61 6c79 7369 7364  title=\"analysisd\n-000221f0: 6174 6122 3e0a 3c65 6c6c 6970 7365 2066  ata\">.<ellipse f\n-00022200: 696c 6c3d 2223 6666 6363 6363 2220 7374  ill=\"#ffcccc\" st\n-00022210: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00022220: 2231 3730 352e 3536 2220 6379 3d22 2d37  \"1705.56\" cy=\"-7\n-00022230: 3231 2e30 3122 2072 783d 2235 302e 3431  21.01\" rx=\"50.41\n-00022240: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-00022250: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00022260: 3d22 6d69 6464 6c65 2220 783d 2231 3730  =\"middle\" x=\"170\n-00022270: 352e 3536 2220 793d 222d 3731 382e 3531  5.56\" y=\"-718.51\n-00022280: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-00022290: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-000222a0: 7a65 3d22 3130 2e30 3022 3e61 6e61 6c79  ze=\"10.00\">analy\n-000222b0: 7369 7364 6174 613c 2f74 6578 743e 0a3c  sisdata</text>.<\n-000222c0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n-000222d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-000222e0: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n-000222f0: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n-00022300: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00022310: 6163 735f 616e 616c 7973 6973 6461 7461  acs_analysisdata\n+000154a0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+000154b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000154c0: 6373 5f65 7761 6c64 3c2f 7469 746c 653e  cs_ewald</title>\n+000154d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000154e0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n+000154f0: 643d 224d 3133 3332 2e36 352c 2d33 3437  d=\"M1332.65,-347\n+00015500: 2e35 3443 3132 3237 2e34 332c 2d33 3537  .54C1227.43,-357\n+00015510: 2e35 3320 3834 392e 3437 2c2d 3339 312e  .53 849.47,-391.\n+00015520: 3832 2037 3237 2e33 2c2d 3430 322e 3437  82 727.3,-402.47\n+00015530: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00015540: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+00015550: 7265 6422 2070 6f69 6e74 733d 2237 3236  red\" points=\"726\n+00015560: 2e39 342c 2d33 3938 2e39 3920 3731 372e  .94,-398.99 717.\n+00015570: 3238 2c2d 3430 332e 3334 2037 3237 2e35  28,-403.34 727.5\n+00015580: 342c 2d34 3035 2e39 3720 3732 362e 3934  4,-405.97 726.94\n+00015590: 2c2d 3339 382e 3939 222f 3e0a 3c2f 673e  ,-398.99\"/>.</g>\n+000155a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000155b0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n+000155c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000155d0: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d  c_gromacs_random\n+000155e0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+000155f0: 3133 3822 2063 6c61 7373 3d22 6564 6765  138\" class=\"edge\n+00015600: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00015610: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00015620: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+00015630: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n+00015640: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061  ndom</title>.<pa\n+00015650: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00015660: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n+00015670: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00015680: 352c 3222 2064 3d22 4d31 3333 322e 3833  5,2\" d=\"M1332.83\n+00015690: 2c2d 3334 302e 3035 4331 3233 372e 3038  ,-340.05C1237.08\n+000156a0: 2c2d 3333 302e 3432 2039 3134 2e38 342c  ,-330.42 914.84,\n+000156b0: 2d32 3938 2037 3937 2e38 372c 2d32 3836  -298 797.87,-286\n+000156c0: 2e32 3322 2f3e 0a3c 706f 6c79 676f 6e20  .23\"/>.<polygon \n+000156d0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+000156e0: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+000156f0: 7473 3d22 3739 382e 3136 2c2d 3238 322e  ts=\"798.16,-282.\n+00015700: 3734 2037 3837 2e38 362c 2d32 3835 2e32  74 787.86,-285.2\n+00015710: 3220 3739 372e 3435 2c2d 3238 392e 3720  2 797.45,-289.7 \n+00015720: 3739 382e 3136 2c2d 3238 322e 3734 222f  798.16,-282.74\"/\n+00015730: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00015740: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00015750: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00015760: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00015770: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00015780: 7768 202d 2d3e 0a3c 6720 6964 3d22 6564  wh -->.<g id=\"ed\n+00015790: 6765 3134 3722 2063 6c61 7373 3d22 6564  ge147\" class=\"ed\n+000157a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000157b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000157c0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+000157d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000157e0: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+000157f0: 7768 3c2f 7469 746c 653e 0a3c 7061 7468  wh</title>.<path\n+00015800: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00015810: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00015820: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00015830: 352c 3222 2064 3d22 4d31 3338 382e 3236  5,2\" d=\"M1388.26\n+00015840: 2c2d 3334 342e 3334 4331 3432 362e 3933  ,-344.34C1426.93\n+00015850: 2c2d 3334 352e 3334 2031 3439 352e 3937  ,-345.34 1495.97\n+00015860: 2c2d 3335 332e 3132 2031 3533 352c 2d33  ,-353.12 1535,-3\n+00015870: 3933 2e32 3220 3135 3435 2e39 312c 2d34  93.22 1545.91,-4\n+00015880: 3034 2e34 3320 3135 3935 2e31 392c 2d36  04.43 1595.19,-6\n+00015890: 3235 2e32 3820 3136 3131 2e30 362c 2d36  25.28 1611.06,-6\n+000158a0: 3937 2e34 3222 2f3e 0a3c 706f 6c79 676f  97.42\"/>.<polygo\n+000158b0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+000158c0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+000158d0: 2220 706f 696e 7473 3d22 3136 3037 2e36  \" points=\"1607.6\n+000158e0: 372c 2d36 3938 2e32 3920 3136 3133 2e32  7,-698.29 1613.2\n+000158f0: 332c 2d37 3037 2e33 3120 3136 3134 2e35  3,-707.31 1614.5\n+00015900: 2c2d 3639 362e 3739 2031 3630 372e 3637  ,-696.79 1607.67\n+00015910: 2c2d 3639 382e 3239 222f 3e0a 3c2f 673e  ,-698.29\"/>.</g>\n+00015920: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00015930: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n+00015940: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00015950: 635f 7465 7374 7574 696c 7320 2d2d 3e0a  c_testutils -->.\n+00015960: 3c67 2069 643d 2265 6467 6531 3439 2220  <g id=\"edge149\" \n+00015970: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00015980: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00015990: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n+000159a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000159b0: 5f74 6573 7475 7469 6c73 3c2f 7469 746c  _testutils</titl\n+000159c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000159d0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n+000159e0: 2220 643d 224d 3133 3838 2e32 312c 2d33  \" d=\"M1388.21,-3\n+000159f0: 3434 2e39 3543 3135 3538 2e38 382c 2d33  44.95C1558.88,-3\n+00015a00: 3436 2e33 3320 3234 3436 2c2d 3335 382e  46.33 2446,-358.\n+00015a10: 3736 2032 3434 362c 2d34 3638 2e35 3320  76 2446,-468.53 \n+00015a20: 3234 3436 2c2d 3937 332e 3439 2032 3434  2446,-973.49 244\n+00015a30: 362c 2d39 3733 2e34 3920 3234 3436 2c2d  6,-973.49 2446,-\n+00015a40: 3937 332e 3439 2032 3434 362c 2d31 3031  973.49 2446,-101\n+00015a50: 302e 3034 2032 3433 332e 3438 2c2d 3130  0.04 2433.48,-10\n+00015a60: 3531 2e30 3120 3234 3234 2e36 322c 2d31  51.01 2424.62,-1\n+00015a70: 3037 352e 3433 222f 3e0a 3c70 6f6c 7967  075.43\"/>.<polyg\n+00015a80: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n+00015a90: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n+00015aa0: 733d 2232 3432 312e 3333 2c2d 3130 3734  s=\"2421.33,-1074\n+00015ab0: 2e32 3320 3234 3231 2e30 392c 2d31 3038  .23 2421.09,-108\n+00015ac0: 342e 3832 2032 3432 372e 3838 2c2d 3130  4.82 2427.88,-10\n+00015ad0: 3736 2e36 3920 3234 3231 2e33 332c 2d31  76.69 2421.33,-1\n+00015ae0: 3037 342e 3233 222f 3e0a 3c2f 673e 0a3c  074.23\"/>.</g>.<\n+00015af0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00015b00: 726f 6d61 6373 5f66 6674 202d 2d3e 0a3c  romacs_fft -->.<\n+00015b10: 6720 6964 3d22 6e6f 6465 3234 2220 636c  g id=\"node24\" cl\n+00015b20: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+00015b30: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00015b40: 6f6d 6163 735f 6666 743c 2f74 6974 6c65  omacs_fft</title\n+00015b50: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00015b60: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00015b70: 3d22 626c 6163 6b22 2063 783d 2232 3232  =\"black\" cx=\"222\n+00015b80: 3922 2063 793d 222d 3334 332e 3739 2220  9\" cy=\"-343.79\" \n+00015b90: 7278 3d22 3237 2220 7279 3d22 3133 2e33  rx=\"27\" ry=\"13.3\n+00015ba0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00015bb0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+00015bc0: 783d 2232 3232 3922 2079 3d22 2d33 3431  x=\"2229\" y=\"-341\n+00015bd0: 2e32 3922 2066 6f6e 742d 6661 6d69 6c79  .29\" font-family\n+00015be0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+00015bf0: 2d73 697a 653d 2231 302e 3030 223e 6666  -size=\"10.00\">ff\n+00015c00: 743c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  t</text>.</g>.<!\n+00015c10: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00015c20: 6f6d 6163 735f 6666 7426 2334 353b 2667  omacs_fft&#45;&g\n+00015c30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00015c40: 6d61 6373 5f67 7075 5f75 7469 6c73 202d  macs_gpu_utils -\n+00015c50: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135  ->.<g id=\"edge15\n+00015c60: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00015c70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00015c80: 7263 5f67 726f 6d61 6373 5f66 6674 2623  rc_gromacs_fft&#\n+00015c90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00015ca0: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00015cb0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+00015cc0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00015cd0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00015ce0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00015cf0: 2235 2c32 2220 643d 224d 3232 3235 2e38  \"5,2\" d=\"M2225.8\n+00015d00: 342c 2d33 3537 2e31 3943 3232 3135 2e34  4,-357.19C2215.4\n+00015d10: 352c 2d33 3939 2e30 3820 3231 3833 2c2d  5,-399.08 2183,-\n+00015d20: 3533 392e 3239 2032 3138 332c 2d36 3537  539.29 2183,-657\n+00015d30: 2e31 3420 3231 3833 2c2d 3732 322e 3031  .14 2183,-722.01\n+00015d40: 2032 3138 332c 2d37 3232 2e30 3120 3231   2183,-722.01 21\n+00015d50: 3833 2c2d 3732 322e 3031 2032 3138 332c  83,-722.01 2183,\n+00015d60: 2d38 3036 2e31 3720 3232 3237 2e30 362c  -806.17 2227.06,\n+00015d70: 2d39 3636 2e31 3420 3232 3038 2c2d 3938  -966.14 2208,-98\n+00015d80: 352e 3932 2032 3136 332e 3733 2c2d 3130  5.92 2163.73,-10\n+00015d90: 3331 2e38 3620 3131 3837 2e34 392c 2d31  31.86 1187.49,-1\n+00015da0: 3033 342e 3435 2039 3533 2e38 392c 2d31  034.45 953.89,-1\n+00015db0: 3033 342e 3432 222f 3e0a 3c70 6f6c 7967  034.42\"/>.<polyg\n+00015dc0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00015dd0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00015de0: 6322 2070 6f69 6e74 733d 2239 3533 2e36  c\" points=\"953.6\n+00015df0: 352c 2d31 3033 302e 3932 2039 3433 2e36  5,-1030.92 943.6\n+00015e00: 352c 2d31 3033 342e 3431 2039 3533 2e36  5,-1034.41 953.6\n+00015e10: 352c 2d31 3033 372e 3932 2039 3533 2e36  5,-1037.92 953.6\n+00015e20: 352c 2d31 3033 302e 3932 222f 3e0a 3c2f  5,-1030.92\"/>.</\n+00015e30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00015e40: 7263 5f67 726f 6d61 6373 5f66 6674 2623  rc_gromacs_fft&#\n+00015e50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00015e60: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n+00015e70: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564  re -->.<g id=\"ed\n+00015e80: 6765 3135 3122 2063 6c61 7373 3d22 6564  ge151\" class=\"ed\n+00015e90: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00015ea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00015eb0: 6674 2623 3435 3b26 6774 3b6d 6f64 756c  ft&#45;&gt;modul\n+00015ec0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+00015ed0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n+00015ee0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00015ef0: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+00015f00: 224d 3232 3330 2e30 352c 2d33 3330 2e32  \"M2230.05,-330.2\n+00015f10: 3843 3232 3332 2e32 372c 2d32 3935 2e31  8C2232.27,-295.1\n+00015f20: 3120 3232 3333 2e34 322c 2d31 3934 2e35  1 2233.42,-194.5\n+00015f30: 2032 3138 302c 2d31 3431 2e37 3420 3231   2180,-141.74 21\n+00015f40: 3537 2e33 372c 2d31 3139 2e33 3920 3230  57.37,-119.39 20\n+00015f50: 3732 2e31 352c 2d31 3035 2e33 3620 3230  72.15,-105.36 20\n+00015f60: 3137 2e34 372c 2d39 382e 3436 222f 3e0a  17.47,-98.46\"/>.\n+00015f70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n+00015f80: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n+00015f90: 2070 6f69 6e74 733d 2232 3031 372e 3636   points=\"2017.66\n+00015fa0: 2c2d 3934 2e39 3620 3230 3037 2e33 312c  ,-94.96 2007.31,\n+00015fb0: 2d39 372e 3231 2032 3031 362e 3831 2c2d  -97.21 2016.81,-\n+00015fc0: 3130 312e 3920 3230 3137 2e36 362c 2d39  101.9 2017.66,-9\n+00015fd0: 342e 3936 222f 3e0a 3c2f 673e 0a3c 212d  4.96\"/>.</g>.<!-\n+00015fe0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00015ff0: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+00016000: 7373 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ss -->.<g id=\"no\n+00016010: 6465 3235 2220 636c 6173 733d 226e 6f64  de25\" class=\"nod\n+00016020: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00016030: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00016040: 7870 7265 7072 6f63 6573 733c 2f74 6974  xpreprocess</tit\n+00016050: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c  le>.<ellipse fil\n+00016060: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00016070: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n+00016080: 3439 3822 2063 793d 222d 3132 3233 2e39  498\" cy=\"-1223.9\n+00016090: 3722 2072 783d 2235 382e 3838 2220 7279  7\" rx=\"58.88\" ry\n+000160a0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+000160b0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+000160c0: 6464 6c65 2220 783d 2231 3439 3822 2079  ddle\" x=\"1498\" y\n+000160d0: 3d22 2d31 3232 312e 3437 2220 666f 6e74  =\"-1221.47\" font\n+000160e0: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+000160f0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00016100: 2e30 3022 3e67 6d78 7072 6570 726f 6365  .00\">gmxpreproce\n+00016110: 7373 3c2f 7465 7874 3e0a 3c2f 673e 0a3c  ss</text>.</g>.<\n+00016120: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00016130: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+00016140: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+00016150: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00016160: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n+00016170: 643d 2265 6467 6531 3538 2220 636c 6173  d=\"edge158\" clas\n+00016180: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00016190: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000161a0: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+000161b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000161c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000161d0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+000161e0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000161f0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00016200: 643d 224d 3134 3430 2e34 392c 2d31 3232  d=\"M1440.49,-122\n+00016210: 312e 3139 4331 3334 392e 3738 2c2d 3132  1.19C1349.78,-12\n+00016220: 3137 2e34 3920 3131 3638 2e33 342c 2d31  17.49 1168.34,-1\n+00016230: 3230 362e 3434 2031 3031 382c 2d31 3137  206.44 1018,-117\n+00016240: 342e 3533 2039 3436 2e34 352c 2d31 3135  4.53 946.45,-115\n+00016250: 392e 3334 2038 3635 2e38 352c 2d31 3132  9.34 865.85,-112\n+00016260: 392e 3739 2038 3231 2e39 322c 2d31 3131  9.79 821.92,-111\n+00016270: 322e 3537 222f 3e0a 3c70 6f6c 7967 6f6e  2.57\"/>.<polygon\n+00016280: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00016290: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000162a0: 2070 6f69 6e74 733d 2238 3233 2e31 382c   points=\"823.18,\n+000162b0: 2d31 3130 392e 3331 2038 3132 2e36 2c2d  -1109.31 812.6,-\n+000162c0: 3131 3038 2e38 3920 3832 302e 3631 2c2d  1108.89 820.61,-\n+000162d0: 3131 3135 2e38 3220 3832 332e 3138 2c2d  1115.82 823.18,-\n+000162e0: 3131 3039 2e33 3122 2f3e 0a3c 2f67 3e0a  1109.31\"/>.</g>.\n+000162f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00016300: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+00016310: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n+00016320: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00016330: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n+00016340: 643d 2265 6467 6531 3534 2220 636c 6173  d=\"edge154\" clas\n+00016350: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00016360: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00016370: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+00016380: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00016390: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+000163a0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n+000163b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000163c0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+000163d0: 3d22 4d31 3434 332e 3236 2c2d 3132 3139  =\"M1443.26,-1219\n+000163e0: 2e30 3243 3133 3833 2e31 322c 2d31 3231  .02C1383.12,-121\n+000163f0: 332e 3533 2031 3238 342e 3237 2c2d 3132  3.53 1284.27,-12\n+00016400: 3031 2e31 2031 3230 332c 2d31 3137 342e  01.1 1203,-1174.\n+00016410: 3533 2031 3134 342e 3237 2c2d 3131 3535  53 1144.27,-1155\n+00016420: 2e33 3320 3131 3236 2e30 342c 2d31 3135  .33 1126.04,-115\n+00016430: 312e 3733 2031 3037 392c 2d31 3131 312e  1.73 1079,-1111.\n+00016440: 3636 2031 3037 372c 2d31 3130 392e 3936  66 1077,-1109.96\n+00016450: 2039 3730 2e31 2c2d 3936 302e 3632 2039   970.1,-960.62 9\n+00016460: 3638 2c2d 3935 392e 3035 2039 3339 2c2d  68,-959.05 939,-\n+00016470: 3933 372e 3337 2038 3939 2e34 322c 2d39  937.37 899.42,-9\n+00016480: 3234 2e37 3320 3837 302e 3434 2c2d 3931  24.73 870.44,-91\n+00016490: 372e 3834 222f 3e0a 3c70 6f6c 7967 6f6e  7.84\"/>.<polygon\n+000164a0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000164b0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000164c0: 2070 6f69 6e74 733d 2238 3731 2e31 392c   points=\"871.19,\n+000164d0: 2d39 3134 2e34 3220 3836 302e 3636 2c2d  -914.42 860.66,-\n+000164e0: 3931 352e 3633 2038 3639 2e36 352c 2d39  915.63 869.65,-9\n+000164f0: 3231 2e32 3520 3837 312e 3139 2c2d 3931  21.25 871.19,-91\n+00016500: 342e 3432 222f 3e0a 3c2f 673e 0a3c 212d  4.42\"/>.</g>.<!-\n+00016510: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00016520: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+00016530: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n+00016540: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00016550: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+00016560: 6564 6765 3136 3622 2063 6c61 7373 3d22  edge166\" class=\"\n+00016570: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00016580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00016590: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+000165a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000165b0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+000165c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000165d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+000165e0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+000165f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00016600: 3222 2064 3d22 4d31 3535 322e 372c 2d31  2\" d=\"M1552.7,-1\n+00016610: 3231 382e 3936 4331 3633 312e 3231 2c2d  218.96C1631.21,-\n+00016620: 3132 3132 2e34 3920 3137 3731 2e33 332c  1212.49 1771.33,\n+00016630: 2d31 3139 382e 3032 2031 3831 362c 2d31  -1198.02 1816,-1\n+00016640: 3137 342e 3533 2031 3933 312e 3332 2c2d  174.53 1931.32,-\n+00016650: 3131 3133 2e38 3920 3139 3339 2e38 362c  1113.89 1939.86,\n+00016660: 2d31 3032 322e 3532 2031 3930 382c 2d38  -1022.52 1908,-8\n+00016670: 3936 2e31 3820 3139 3031 2e32 312c 2d38  96.18 1901.21,-8\n+00016680: 3639 2e32 3520 3136 3834 2e36 332c 2d34  69.25 1684.63,-4\n+00016690: 3830 2e32 3920 3136 3731 2c2d 3435 362e  80.29 1671,-456.\n+000166a0: 3039 2031 3635 352e 3039 2c2d 3432 372e  09 1655.09,-427.\n+000166b0: 3834 2031 3635 392e 3038 2c2d 3431 332e  84 1659.08,-413.\n+000166c0: 3737 2031 3633 342c 2d33 3933 2e32 3220  77 1634,-393.22 \n+000166d0: 3135 3032 2e32 372c 2d32 3835 2e32 3620  1502.27,-285.26 \n+000166e0: 3134 3337 2e33 342c 2d33 3038 2e33 3420  1437.34,-308.34 \n+000166f0: 3132 3732 2c2d 3236 372e 3438 2031 3137  1272,-267.48 117\n+00016700: 352e 3332 2c2d 3234 332e 3539 2031 3035  5.32,-243.59 105\n+00016710: 392e 3131 2c2d 3232 392e 3536 2039 3936  9.11,-229.56 996\n+00016720: 2e37 372c 2d32 3233 2e31 3922 2f3e 0a3c  .77,-223.19\"/>.<\n+00016730: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00016740: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00016750: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00016760: 3939 362e 382c 2d32 3139 2e36 3820 3938  996.8,-219.68 98\n+00016770: 362e 352c 2d32 3232 2e31 3620 3939 362e  6.5,-222.16 996.\n+00016780: 3131 2c2d 3232 362e 3634 2039 3936 2e38  11,-226.64 996.8\n+00016790: 2c2d 3231 392e 3638 222f 3e0a 3c2f 673e  ,-219.68\"/>.</g>\n+000167a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000167b0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+000167c0: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+000167d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000167e0: 735f 696d 6420 2d2d 3e0a 3c67 2069 643d  s_imd -->.<g id=\n+000167f0: 2265 6467 6531 3634 2220 636c 6173 733d  \"edge164\" class=\n+00016800: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00016810: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00016820: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+00016830: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00016840: 7263 5f67 726f 6d61 6373 5f69 6d64 3c2f  rc_gromacs_imd</\n+00016850: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00016860: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00016870: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00016880: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00016890: 2064 3d22 4d31 3535 362e 3439 2c2d 3132   d=\"M1556.49,-12\n+000168a0: 3232 2e36 4331 3637 352e 392c 2d31 3232  22.6C1675.9,-122\n+000168b0: 312e 3034 2031 3934 332e 332c 2d31 3231  1.04 1943.3,-121\n+000168c0: 332e 3139 2032 3032 352c 2d31 3137 342e  3.19 2025,-1174.\n+000168d0: 3533 2032 3131 312e 3633 2c2d 3131 3333  53 2111.63,-1133\n+000168e0: 2e35 3320 3231 3033 2c2d 3130 3639 2e33  .53 2103,-1069.3\n+000168f0: 3320 3231 3033 2c2d 3937 332e 3439 2032  3 2103,-973.49 2\n+00016900: 3130 332c 2d39 3733 2e34 3920 3231 3033  103,-973.49 2103\n+00016910: 2c2d 3937 332e 3439 2032 3130 332c 2d36  ,-973.49 2103,-6\n+00016920: 3537 2e31 3420 3231 3033 2c2d 3631 332e  57.14 2103,-613.\n+00016930: 3834 2032 3132 362e 3937 2c2d 3330 312e  84 2126.97,-301.\n+00016940: 3335 2032 3130 302c 2d32 3637 2e34 3820  35 2100,-267.48 \n+00016950: 3230 3136 2e37 2c2d 3136 322e 3835 2031  2016.7,-162.85 1\n+00016960: 3537 302e 3231 2c2d 3135 352e 3635 2031  570.21,-155.65 1\n+00016970: 3433 372e 3333 2c2d 3135 352e 3837 222f  437.33,-155.87\"/\n+00016980: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00016990: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+000169a0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+000169b0: 733d 2231 3433 372e 3233 2c2d 3135 322e  s=\"1437.23,-152.\n+000169c0: 3337 2031 3432 372e 3234 2c2d 3135 352e  37 1427.24,-155.\n+000169d0: 3920 3134 3337 2e32 352c 2d31 3539 2e33  9 1437.25,-159.3\n+000169e0: 3720 3134 3337 2e32 332c 2d31 3532 2e33  7 1437.23,-152.3\n+000169f0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n+00016a00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00016a10: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+00016a20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00016a30: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00016a40: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n+00016a50: 643d 2265 6467 6531 3537 2220 636c 6173  d=\"edge157\" clas\n+00016a60: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00016a70: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00016a80: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+00016a90: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00016aa0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+00016ab0: 756e 7574 696c 6974 793c 2f74 6974 6c65  unutility</title\n+00016ac0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00016ad0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+00016ae0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+00016af0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00016b00: 3134 3935 2e34 362c 2d31 3231 302e 3338  1495.46,-1210.38\n+00016b10: 4331 3439 312e 3138 2c2d 3131 3838 2e30  C1491.18,-1188.0\n+00016b20: 3820 3134 3833 2c2d 3131 3430 2e31 3320  8 1483,-1140.13 \n+00016b30: 3134 3833 2c2d 3130 3939 2e32 3320 3134  1483,-1099.23 14\n+00016b40: 3833 2c2d 3130 3939 2e32 3320 3134 3833  83,-1099.23 1483\n+00016b50: 2c2d 3130 3939 2e32 3320 3134 3833 2c2d  ,-1099.23 1483,-\n+00016b60: 3130 3334 2e33 3620 3134 3833 2c2d 3937  1034.36 1483,-97\n+00016b70: 302e 3034 2031 3439 332e 3934 2c2d 3935  0.04 1493.94,-95\n+00016b80: 312e 3934 2031 3532 362c 2d38 3936 2e31  1.94 1526,-896.1\n+00016b90: 3820 3135 3336 2e38 322c 2d38 3737 2e33  8 1536.82,-877.3\n+00016ba0: 3620 3135 3531 2e31 332c 2d38 3830 2e34  6 1551.13,-880.4\n+00016bb0: 3120 3135 3539 2c2d 3836 302e 3138 2031  1 1559,-860.18 1\n+00016bc0: 3536 332e 3333 2c2d 3834 392e 3035 2031  563.33,-849.05 1\n+00016bd0: 3536 352e 3737 2c2d 3834 332e 3135 2031  565.77,-843.15 1\n+00016be0: 3535 392c 2d38 3333 2e33 3120 3135 3333  559,-833.31 1533\n+00016bf0: 2e36 352c 2d37 3936 2e34 3520 3134 3939  .65,-796.45 1499\n+00016c00: 2e32 2c2d 3832 362e 3135 2031 3436 352c  .2,-826.15 1465,\n+00016c10: 2d37 3937 2e33 3120 3134 3237 2e32 332c  -797.31 1427.23,\n+00016c20: 2d37 3635 2e34 3620 3134 3032 2e34 372c  -765.46 1402.47,\n+00016c30: 2d37 3131 2e35 3420 3133 3930 2e38 2c2d  -711.54 1390.8,-\n+00016c40: 3638 312e 3334 222f 3e0a 3c70 6f6c 7967  681.34\"/>.<polyg\n+00016c50: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00016c60: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00016c70: 6322 2070 6f69 6e74 733d 2231 3339 332e  c\" points=\"1393.\n+00016c80: 3939 2c2d 3637 392e 3837 2031 3338 372e  99,-679.87 1387.\n+00016c90: 3232 2c2d 3637 312e 3732 2031 3338 372e  22,-671.72 1387.\n+00016ca0: 3433 2c2d 3638 322e 3331 2031 3339 332e  43,-682.31 1393.\n+00016cb0: 3939 2c2d 3637 392e 3837 222f 3e0a 3c2f  99,-679.87\"/>.</\n+00016cc0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00016cd0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+00016ce0: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+00016cf0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00016d00: 6163 735f 6d64 7275 6e20 2d2d 3e0a 3c67  acs_mdrun -->.<g\n+00016d10: 2069 643d 2265 6467 6531 3536 2220 636c   id=\"edge156\" cl\n+00016d20: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00016d30: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00016d40: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+00016d50: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+00016d60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00016d70: 6472 756e 3c2f 7469 746c 653e 0a3c 7061  drun</title>.<pa\n+00016d80: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00016d90: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00016da0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00016db0: 3d22 352c 3222 2064 3d22 4d31 3434 302e  =\"5,2\" d=\"M1440.\n+00016dc0: 3134 2c2d 3132 3231 2e33 3543 3133 3330  14,-1221.35C1330\n+00016dd0: 2e34 332c 2d31 3231 342e 3837 2031 3130  .43,-1214.87 110\n+00016de0: 332c 2d31 3138 332e 3638 2031 3130 332c  3,-1183.68 1103,\n+00016df0: 2d31 3033 362e 3336 2031 3130 332c 2d31  -1036.36 1103,-1\n+00016e00: 3033 362e 3336 2031 3130 332c 2d31 3033  036.36 1103,-103\n+00016e10: 362e 3336 2031 3130 332c 2d39 3731 2e34  6.36 1103,-971.4\n+00016e20: 3920 3131 3033 2c2d 3930 362e 3736 2031  9 1103,-906.76 1\n+00016e30: 3130 362e 3437 2c2d 3838 322e 3120 3131  106.47,-882.1 11\n+00016e40: 3439 2c2d 3833 332e 3331 2031 3137 322e  49,-833.31 1172.\n+00016e50: 3737 2c2d 3830 362e 3034 2031 3139 382e  77,-806.04 1198.\n+00016e60: 3431 2c2d 3832 342e 3734 2031 3232 322c  41,-824.74 1222,\n+00016e70: 2d37 3937 2e33 3120 3132 3431 2e31 322c  -797.31 1241.12,\n+00016e80: 2d37 3735 2e30 3820 3132 3336 2e32 352c  -775.08 1236.25,\n+00016e90: 2d37 3633 2e31 3920 3132 3432 2c2d 3733  -763.19 1242,-73\n+00016ea0: 342e 3434 2031 3235 302e 3031 2c2d 3639  4.44 1250.01,-69\n+00016eb0: 342e 3339 2031 3235 322e 3637 2c2d 3634  4.39 1252.67,-64\n+00016ec0: 362e 3735 2031 3235 332e 3536 2c2d 3631  6.75 1253.56,-61\n+00016ed0: 392e 3136 222f 3e0a 3c70 6f6c 7967 6f6e  9.16\"/>.<polygon\n+00016ee0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00016ef0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00016f00: 2070 6f69 6e74 733d 2231 3235 372e 3036   points=\"1257.06\n+00016f10: 2c2d 3631 392e 3036 2031 3235 332e 3833  ,-619.06 1253.83\n+00016f20: 2c2d 3630 382e 3937 2031 3235 302e 3036  ,-608.97 1250.06\n+00016f30: 2c2d 3631 382e 3837 2031 3235 372e 3036  ,-618.87 1257.06\n+00016f40: 2c2d 3631 392e 3036 222f 3e0a 3c2f 673e  ,-619.06\"/>.</g>\n+00016f50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00016f60: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+00016f70: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+00016f80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00016f90: 735f 6c69 7374 6564 5f66 6f72 6365 7320  s_listed_forces \n+00016fa0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00016fb0: 3638 2220 636c 6173 733d 2265 6467 6522  68\" class=\"edge\"\n+00016fc0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00016fd0: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n+00016fe0: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n+00016ff0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00017000: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+00017010: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+00017020: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00017030: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00017040: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00017050: 352c 3222 2064 3d22 4d31 3433 392e 3433  5,2\" d=\"M1439.43\n+00017060: 2c2d 3132 3233 2e31 4331 3231 362e 3139  ,-1223.1C1216.19\n+00017070: 2c2d 3132 3233 2e32 3720 3432 362e 3033  ,-1223.27 426.03\n+00017080: 2c2d 3132 3230 2e35 3820 3332 342c 2d31  ,-1220.58 324,-1\n+00017090: 3137 342e 3533 2031 3533 2e30 352c 2d31  174.53 153.05,-1\n+000170a0: 3039 372e 3338 2035 372c 2d31 3033 352e  097.38 57,-1035.\n+000170b0: 3320 3537 2c2d 3834 372e 3735 2035 372c  3 57,-847.75 57,\n+000170c0: 2d38 3437 2e37 3520 3537 2c2d 3834 372e  -847.75 57,-847.\n+000170d0: 3735 2035 372c 2d32 3739 2e39 3220 3537  75 57,-279.92 57\n+000170e0: 2c2d 3234 352e 3420 3531 2e38 352c 2d32  ,-245.4 51.85,-2\n+000170f0: 3239 2e32 3820 3736 2c2d 3230 342e 3631  29.28 76,-204.61\n+00017100: 2031 3035 2e39 312c 2d31 3734 2e30 3520   105.91,-174.05 \n+00017110: 3135 332e 3139 2c2d 3136 322e 3235 2031  153.19,-162.25 1\n+00017120: 3931 2e32 322c 2d31 3537 2e39 3222 2f3e  91.22,-157.92\"/>\n+00017130: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00017140: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00017150: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00017160: 3d22 3139 312e 3537 2c2d 3136 312e 3420  =\"191.57,-161.4 \n+00017170: 3230 312e 3137 2c2d 3135 362e 3933 2031  201.17,-156.93 1\n+00017180: 3930 2e38 382c 2d31 3534 2e34 3420 3139  90.88,-154.44 19\n+00017190: 312e 3537 2c2d 3136 312e 3422 2f3e 0a3c  1.57,-161.4\"/>.<\n+000171a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000171b0: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n+000171c0: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n+000171d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000171e0: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c  macs_mdlib -->.<\n+000171f0: 6720 6964 3d22 6564 6765 3135 3522 2063  g id=\"edge155\" c\n+00017200: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00017210: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00017220: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+00017230: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+00017240: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00017250: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+00017260: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00017270: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00017280: 2064 3d22 4d31 3535 332e 3132 2c2d 3132   d=\"M1553.12,-12\n+00017290: 3139 2e31 3543 3136 3237 2e30 352c 2d31  19.15C1627.05,-1\n+000172a0: 3231 332e 3135 2031 3735 332e 3439 2c2d  213.15 1753.49,-\n+000172b0: 3131 3939 2e35 3320 3137 3932 2c2d 3131  1199.53 1792,-11\n+000172c0: 3734 2e35 3320 3138 3533 2e36 372c 2d31  74.53 1853.67,-1\n+000172d0: 3133 342e 3439 2031 3838 332c 2d31 3130  134.49 1883,-110\n+000172e0: 392e 3839 2031 3838 332c 2d31 3033 362e  9.89 1883,-1036.\n+000172f0: 3336 2031 3838 332c 2d31 3033 362e 3336  36 1883,-1036.36\n+00017300: 2031 3838 332c 2d31 3033 362e 3336 2031   1883,-1036.36 1\n+00017310: 3838 332c 2d39 3038 2e36 3220 3138 3833  883,-908.62 1883\n+00017320: 2c2d 3836 382e 3434 2031 3835 382e 3635  ,-868.44 1858.65\n+00017330: 2c2d 3836 342e 3233 2031 3833 332c 2d38  ,-864.23 1833,-8\n+00017340: 3333 2e33 3120 3138 3138 2e33 352c 2d38  33.31 1818.35,-8\n+00017350: 3135 2e36 3520 3138 3039 2e33 332c 2d38  15.65 1809.33,-8\n+00017360: 3135 2e39 3820 3137 3936 2c2d 3739 372e  15.98 1796,-797.\n+00017370: 3331 2031 3736 372e 3039 2c2d 3735 362e  31 1767.09,-756.\n+00017380: 3831 2031 3634 322e 3636 2c2d 3432 332e  81 1642.66,-423.\n+00017390: 3237 2031 3630 332c 2d33 3933 2e32 3220  27 1603,-393.22 \n+000173a0: 3135 3731 2e31 342c 2d33 3639 2e30 3820  1571.14,-369.08 \n+000173b0: 3134 3537 2e34 382c 2d33 3534 2e34 3620  1457.48,-354.46 \n+000173c0: 3133 3937 2e35 372c 2d33 3438 2e32 3722  1397.57,-348.27\"\n+000173d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000173e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+000173f0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00017400: 7473 3d22 3133 3937 2e36 392c 2d33 3434  ts=\"1397.69,-344\n+00017410: 2e37 3620 3133 3837 2e33 392c 2d33 3437  .76 1387.39,-347\n+00017420: 2e32 3420 3133 3936 2e39 392c 2d33 3531  .24 1396.99,-351\n+00017430: 2e37 3320 3133 3937 2e36 392c 2d33 3434  .73 1397.69,-344\n+00017440: 2e37 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .76\"/>.</g>.<!--\n+00017450: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00017460: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+00017470: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00017480: 5f73 7263 5f67 726f 6d61 6373 5f66 6674  _src_gromacs_fft\n+00017490: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+000174a0: 3136 3322 2063 6c61 7373 3d22 6564 6765  163\" class=\"edge\n+000174b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000174c0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+000174d0: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n+000174e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000174f0: 6f6d 6163 735f 6666 743c 2f74 6974 6c65  omacs_fft</title\n+00017500: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00017510: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00017520: 6662 6622 2064 3d22 4d31 3535 362e 3632  fbf\" d=\"M1556.62\n+00017530: 2c2d 3132 3232 2e38 3143 3137 3230 2e36  ,-1222.81C1720.6\n+00017540: 332c 2d31 3232 312e 3836 2032 3137 352e  3,-1221.86 2175.\n+00017550: 3636 2c2d 3132 3135 2e35 3320 3232 3238  66,-1215.53 2228\n+00017560: 2c2d 3131 3734 2e35 3320 3232 3734 2e31  ,-1174.53 2274.1\n+00017570: 372c 2d31 3133 382e 3337 2032 3235 362e  7,-1138.37 2256.\n+00017580: 3432 2c2d 3131 3036 2e32 3820 3232 3638  42,-1106.28 2268\n+00017590: 2c2d 3130 3438 2e37 3920 3233 3032 2e33  ,-1048.79 2302.3\n+000175a0: 342c 2d38 3738 2e33 3420 3233 3033 2c2d  4,-878.34 2303,-\n+000175b0: 3833 332e 3031 2032 3330 332c 2d36 3539  833.01 2303,-659\n+000175c0: 2e31 3420 3233 3033 2c2d 3635 392e 3134  .14 2303,-659.14\n+000175d0: 2032 3330 332c 2d36 3539 2e31 3420 3233   2303,-659.14 23\n+000175e0: 3033 2c2d 3436 382e 3533 2032 3330 332c  03,-468.53 2303,\n+000175f0: 2d34 3236 2e32 3120 3232 3730 2e37 322c  -426.21 2270.72,\n+00017600: 2d33 3835 2e38 3120 3232 3438 2e38 2c2d  -385.81 2248.8,-\n+00017610: 3336 332e 3236 222f 3e0a 3c70 6f6c 7967  363.26\"/>.<polyg\n+00017620: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00017630: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00017640: 6622 2070 6f69 6e74 733d 2232 3235 312e  f\" points=\"2251.\n+00017650: 3131 2c2d 3336 302e 3632 2032 3234 312e  11,-360.62 2241.\n+00017660: 3535 2c2d 3335 362e 3035 2032 3234 362e  55,-356.05 2246.\n+00017670: 3138 2c2d 3336 352e 3539 2032 3235 312e  18,-365.59 2251.\n+00017680: 3131 2c2d 3336 302e 3632 222f 3e0a 3c2f  11,-360.62\"/>.</\n+00017690: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000176a0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+000176b0: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+000176c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000176d0: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n+000176e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+000176f0: 3631 2220 636c 6173 733d 2265 6467 6522  61\" class=\"edge\"\n+00017700: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00017710: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n+00017720: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n+00017730: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00017740: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n+00017750: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00017760: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00017770: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n+00017780: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00017790: 2064 3d22 4d31 3439 382e 3936 2c2d 3132   d=\"M1498.96,-12\n+000177a0: 3130 2e33 3743 3135 3033 2e30 352c 2d31  10.37C1503.05,-1\n+000177b0: 3136 332e 3939 2031 3532 322e 3536 2c2d  163.99 1522.56,-\n+000177c0: 3130 3030 2e30 3620 3136 3030 2c2d 3839  1000.06 1600,-89\n+000177d0: 362e 3138 2031 3631 302e 3132 2c2d 3838  6.18 1610.12,-88\n+000177e0: 322e 3631 2031 3632 352e 3233 2c2d 3837  2.61 1625.23,-87\n+000177f0: 312e 3632 2031 3633 392c 2d38 3633 2e35  1.62 1639,-863.5\n+00017800: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669  6\"/>.<polygon fi\n+00017810: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b  ll=\"black\" strok\n+00017820: 653d 2262 6c61 636b 2220 706f 696e 7473  e=\"black\" points\n+00017830: 3d22 3136 3430 2e37 342c 2d38 3636 2e36  =\"1640.74,-866.6\n+00017840: 2031 3634 372e 3739 2c2d 3835 382e 3639   1647.79,-858.69\n+00017850: 2031 3633 372e 3334 2c2d 3836 302e 3437   1637.34,-860.47\n+00017860: 2031 3634 302e 3734 2c2d 3836 362e 3622   1640.74,-866.6\"\n+00017870: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00017880: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00017890: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n+000178a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000178b0: 5f67 726f 6d61 6373 5f6e 626e 786d 202d  _gromacs_nbnxm -\n+000178c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n+000178d0: 3522 2063 6c61 7373 3d22 6564 6765 223e  5\" class=\"edge\">\n+000178e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000178f0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+00017900: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+00017910: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00017920: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65  acs_nbnxm</title\n+00017930: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00017940: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+00017950: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+00017960: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00017970: 3134 3339 2e32 382c 2d31 3232 332e 3643  1439.28,-1223.6C\n+00017980: 3132 3835 2e37 362c 2d31 3232 342e 3534  1285.76,-1224.54\n+00017990: 2038 3735 2e36 342c 2d31 3232 322e 3338   875.64,-1222.38\n+000179a0: 2037 3530 2c2d 3131 3734 2e35 3320 3636   750,-1174.53 66\n+000179b0: 352e 3135 2c2d 3131 3432 2e32 3220 3634  5.15,-1142.22 64\n+000179c0: 342e 3239 2c2d 3131 3230 2e38 3120 3538  4.29,-1120.81 58\n+000179d0: 392c 2d31 3034 382e 3739 2035 3736 2e38  9,-1048.79 576.8\n+000179e0: 342c 2d31 3033 322e 3935 2035 3638 2e33  4,-1032.95 568.3\n+000179f0: 392c 2d31 3031 312e 3820 3536 332e 3233  9,-1011.8 563.23\n+00017a00: 2c2d 3939 352e 3935 222f 3e0a 3c70 6f6c  ,-995.95\"/>.<pol\n+00017a10: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00017a20: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00017a30: 6663 6322 2070 6f69 6e74 733d 2235 3636  fcc\" points=\"566\n+00017a40: 2e34 352c 2d39 3934 2e35 2035 3630 2e31  .45,-994.5 560.1\n+00017a50: 392c 2d39 3835 2e39 3520 3535 392e 3735  9,-985.95 559.75\n+00017a60: 2c2d 3939 362e 3534 2035 3636 2e34 352c  ,-996.54 566.45,\n+00017a70: 2d39 3934 2e35 222f 3e0a 3c2f 673e 0a3c  -994.5\"/>.</g>.<\n+00017a80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00017a90: 726f 6d61 6373 5f67 6d78 616e 6120 2d2d  romacs_gmxana --\n+00017aa0: 3e0a 3c67 2069 643d 226e 6f64 6533 3822  >.<g id=\"node38\"\n+00017ab0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n+00017ac0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00017ad0: 5f67 726f 6d61 6373 5f67 6d78 616e 613c  _gromacs_gmxana<\n+00017ae0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+00017af0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00017b00: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+00017b10: 783d 2231 3538 3522 2063 793d 222d 3131  x=\"1585\" cy=\"-11\n+00017b20: 3631 2e31 2220 7278 3d22 3335 2e32 3122  61.1\" rx=\"35.21\"\n+00017b30: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00017b40: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00017b50: 226d 6964 646c 6522 2078 3d22 3135 3835  \"middle\" x=\"1585\n+00017b60: 2220 793d 222d 3131 3538 2e36 2220 666f  \" y=\"-1158.6\" fo\n+00017b70: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n+00017b80: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n+00017b90: 3130 2e30 3022 3e67 6d78 616e 613c 2f74  10.00\">gmxana</t\n+00017ba0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00017bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00017bc0: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+00017bd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00017be0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n+00017bf0: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467  a -->.<g id=\"edg\n+00017c00: 6531 3637 2220 636c 6173 733d 2265 6467  e167\" class=\"edg\n+00017c10: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00017c20: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00017c30: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n+00017c40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00017c50: 726f 6d61 6373 5f67 6d78 616e 613c 2f74  romacs_gmxana</t\n+00017c60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00017c70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00017c80: 2362 6662 6662 6622 2064 3d22 4d31 3531  #bfbfbf\" d=\"M151\n+00017c90: 352e 3139 2c2d 3132 3130 2e39 3443 3135  5.19,-1210.94C15\n+00017ca0: 3238 2e31 352c 2d31 3230 312e 3837 2031  28.15,-1201.87 1\n+00017cb0: 3534 362e 312c 2d31 3138 392e 3332 2031  546.1,-1189.32 1\n+00017cc0: 3536 302e 3535 2c2d 3131 3739 2e32 222f  560.55,-1179.2\"/\n+00017cd0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00017ce0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00017cf0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00017d00: 733d 2231 3536 322e 3833 2c2d 3131 3831  s=\"1562.83,-1181\n+00017d10: 2e38 3820 3135 3639 2e30 322c 2d31 3137  .88 1569.02,-117\n+00017d20: 332e 3238 2031 3535 382e 3832 2c2d 3131  3.28 1558.82,-11\n+00017d30: 3736 2e31 3420 3135 3632 2e38 332c 2d31  76.14 1562.83,-1\n+00017d40: 3138 312e 3838 222f 3e0a 3c2f 673e 0a3c  181.88\"/>.</g>.<\n+00017d50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00017d60: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+00017d70: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+00017d80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00017d90: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069  options -->.<g i\n+00017da0: 643d 2265 6467 6531 3539 2220 636c 6173  d=\"edge159\" clas\n+00017db0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00017dc0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00017dd0: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+00017de0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00017df0: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074  _src_gromacs_opt\n+00017e00: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061  ions</title>.<pa\n+00017e10: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00017e20: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00017e30: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00017e40: 3d22 352c 3222 2064 3d22 4d31 3535 362e  =\"5,2\" d=\"M1556.\n+00017e50: 352c 2d31 3232 322e 3838 4331 3730 342e  5,-1222.88C1704.\n+00017e60: 3636 2c2d 3132 3231 2e31 2032 3038 332c  66,-1221.1 2083,\n+00017e70: 2d31 3230 362e 3039 2032 3038 332c 2d31  -1206.09 2083,-1\n+00017e80: 3039 392e 3233 2032 3038 332c 2d31 3039  099.23 2083,-109\n+00017e90: 392e 3233 2032 3038 332c 2d31 3039 392e  9.23 2083,-1099.\n+00017ea0: 3233 2032 3038 332c 2d38 3435 2e37 3520  23 2083,-845.75 \n+00017eb0: 3230 3833 2c2d 3733 352e 3131 2032 3034  2083,-735.11 204\n+00017ec0: 342e 3731 2c2d 3731 322e 3731 2032 3030  4.71,-712.71 200\n+00017ed0: 372c 2d36 3038 2e37 2031 3939 322e 3338  7,-608.7 1992.38\n+00017ee0: 2c2d 3536 382e 3337 2031 3937 372e 3733  ,-568.37 1977.73\n+00017ef0: 2c2d 3532 302e 3532 2031 3936 392e 3537  ,-520.52 1969.57\n+00017f00: 2c2d 3439 332e 3032 222f 3e0a 3c70 6f6c  ,-493.02\"/>.<pol\n+00017f10: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00017f20: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00017f30: 6663 6322 2070 6f69 6e74 733d 2231 3937  fcc\" points=\"197\n+00017f40: 322e 3836 2c2d 3439 312e 3831 2031 3936  2.86,-491.81 196\n+00017f50: 362e 3637 2c2d 3438 332e 3231 2031 3936  6.67,-483.21 196\n+00017f60: 362e 3134 2c2d 3439 332e 3739 2031 3937  6.14,-493.79 197\n+00017f70: 322e 3836 2c2d 3439 312e 3831 222f 3e0a  2.86,-491.81\"/>.\n+00017f80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00017f90: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00017fa0: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n+00017fb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00017fc0: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n+00017fd0: 0a3c 6720 6964 3d22 6564 6765 3135 3222  .<g id=\"edge152\"\n+00017fe0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00017ff0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00018000: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+00018010: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+00018020: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00018030: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+00018040: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00018050: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00018060: 6266 2220 643d 224d 3134 3535 2e35 372c  bf\" d=\"M1455.57,\n+00018070: 2d31 3231 342e 3537 4331 3430 302e 3339  -1214.57C1400.39\n+00018080: 2c2d 3132 3030 2e39 3120 3133 3131 2c2d  ,-1200.91 1311,-\n+00018090: 3131 3638 2e31 3320 3133 3131 2c2d 3130  1168.13 1311,-10\n+000180a0: 3939 2e32 3320 3133 3131 2c2d 3130 3939  99.23 1311,-1099\n+000180b0: 2e32 3320 3133 3131 2c2d 3130 3939 2e32  .23 1311,-1099.2\n+000180c0: 3320 3133 3131 2c2d 3937 312e 3439 2031  3 1311,-971.49 1\n+000180d0: 3331 312c 2d39 3336 2e36 3220 3133 3130  311,-936.62 1310\n+000180e0: 2e31 312c 2d39 3232 2e34 3820 3133 3333  .11,-922.48 1333\n+000180f0: 2c2d 3839 362e 3138 2031 3335 382e 3539  ,-896.18 1358.59\n+00018100: 2c2d 3836 362e 3737 2031 3339 312e 3833  ,-866.77 1391.83\n+00018110: 2c2d 3839 322e 3932 2031 3431 332c 2d38  ,-892.92 1413,-8\n+00018120: 3630 2e31 3820 3134 3234 2e33 352c 2d38  60.18 1424.35,-8\n+00018130: 3432 2e36 3320 3134 3132 2e34 342c 2d38  42.63 1412.44,-8\n+00018140: 3230 2e31 2031 3430 302e 3433 2c2d 3830  20.1 1400.43,-80\n+00018150: 342e 3238 222f 3e0a 3c70 6f6c 7967 6f6e  4.28\"/>.<polygon\n+00018160: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00018170: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00018180: 2070 6f69 6e74 733d 2231 3430 322e 3932   points=\"1402.92\n+00018190: 2c2d 3830 312e 3820 3133 3933 2e39 2c2d  ,-801.8 1393.9,-\n+000181a0: 3739 362e 3235 2031 3339 372e 3439 2c2d  796.25 1397.49,-\n+000181b0: 3830 362e 3231 2031 3430 322e 3932 2c2d  806.21 1402.92,-\n+000181c0: 3830 312e 3822 2f3e 0a3c 2f67 3e0a 3c21  801.8\"/>.</g>.<!\n+000181d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000181e0: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+000181f0: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+00018200: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+00018210: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22  wald -->.<g id=\"\n+00018220: 6564 6765 3136 3222 2063 6c61 7373 3d22  edge162\" class=\"\n+00018230: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00018240: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00018250: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+00018260: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00018270: 635f 6772 6f6d 6163 735f 6577 616c 643c  c_gromacs_ewald<\n+00018280: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00018290: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+000182a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+000182b0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+000182c0: 2220 643d 224d 3134 3339 2e34 332c 2d31  \" d=\"M1439.43,-1\n+000182d0: 3232 322e 3932 4331 3230 342e 3234 2c2d  222.92C1204.24,-\n+000182e0: 3132 3231 2e39 3820 3334 312c 2d31 3231  1221.98 341,-121\n+000182f0: 302e 3920 3334 312c 2d31 3039 392e 3233  0.9 341,-1099.23\n+00018300: 2033 3431 2c2d 3130 3939 2e32 3320 3334   341,-1099.23 34\n+00018310: 312c 2d31 3039 392e 3233 2033 3431 2c2d  1,-1099.23 341,-\n+00018320: 3130 3334 2e33 3620 3334 312c 2d39 3231  1034.36 341,-921\n+00018330: 2e31 3820 3430 332e 3437 2c2d 3930 362e  .18 403.47,-906.\n+00018340: 3239 2034 3334 2c2d 3739 372e 3331 2034  29 434,-797.31 4\n+00018350: 3538 2e34 362c 2d37 3039 2e39 3820 3436  58.46,-709.98 46\n+00018360: 392c 2d36 3836 2e39 3620 3436 392c 2d35  9,-686.96 469,-5\n+00018370: 3936 2e32 3720 3436 392c 2d35 3936 2e32  96.27 469,-596.2\n+00018380: 3720 3436 392c 2d35 3936 2e32 3720 3436  7 469,-596.27 46\n+00018390: 392c 2d35 3331 2e34 2034 3639 2c2d 3439  9,-531.4 469,-49\n+000183a0: 372e 3633 2034 3536 2e32 382c 2d34 3831  7.63 456.28,-481\n+000183b0: 2e30 3720 3437 392c 2d34 3536 2e30 3920  .07 479,-456.09 \n+000183c0: 3530 312e 3636 2c2d 3433 312e 3138 2035  501.66,-431.18 5\n+000183d0: 3936 2e32 372c 2d34 3137 2e33 3520 3635  96.27,-417.35 65\n+000183e0: 302e 3436 2c2d 3431 312e 3334 222f 3e0a  0.46,-411.34\"/>.\n+000183f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00018400: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00018410: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00018420: 2236 3531 2e31 352c 2d34 3134 2e37 3920  \"651.15,-414.79 \n+00018430: 3636 302e 3732 2c2d 3431 302e 3234 2036  660.72,-410.24 6\n+00018440: 3530 2e34 2c2d 3430 372e 3833 2036 3531  50.4,-407.83 651\n+00018450: 2e31 352c 2d34 3134 2e37 3922 2f3e 0a3c  .15,-414.79\"/>.<\n+00018460: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00018470: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n+00018480: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n+00018490: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000184a0: 6d61 6373 5f72 616e 646f 6d20 2d2d 3e0a  macs_random -->.\n+000184b0: 3c67 2069 643d 2265 6467 6531 3630 2220  <g id=\"edge160\" \n+000184c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000184d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000184e0: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+000184f0: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n+00018500: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00018510: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a  _random</title>.\n+00018520: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00018530: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00018540: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00018550: 793d 2235 2c32 2220 643d 224d 3134 3339  y=\"5,2\" d=\"M1439\n+00018560: 2e37 2c2d 3132 3232 2e31 3443 3132 3239  .7,-1222.14C1229\n+00018570: 2e30 322c 2d31 3231 382e 3932 2035 3134  .02,-1218.92 514\n+00018580: 2e34 342c 2d31 3230 352e 3737 2034 3137  .44,-1205.77 417\n+00018590: 2c2d 3131 3734 2e35 3320 3335 382e 3437  ,-1174.53 358.47\n+000185a0: 2c2d 3131 3535 2e37 3620 3330 312c 2d31  ,-1155.76 301,-1\n+000185b0: 3136 302e 3639 2033 3031 2c2d 3130 3939  160.69 301,-1099\n+000185c0: 2e32 3320 3330 312c 2d31 3039 392e 3233  .23 301,-1099.23\n+000185d0: 2033 3031 2c2d 3130 3939 2e32 3320 3330   301,-1099.23 30\n+000185e0: 312c 2d31 3033 342e 3336 2033 3031 2c2d  1,-1034.36 301,-\n+000185f0: 3838 372e 3437 2034 3039 2c2d 3836 382e  887.47 409,-868.\n+00018600: 3839 2034 3039 2c2d 3732 322e 3031 2034  89 409,-722.01 4\n+00018610: 3039 2c2d 3732 322e 3031 2034 3039 2c2d  09,-722.01 409,-\n+00018620: 3732 322e 3031 2034 3039 2c2d 3436 382e  722.01 409,-468.\n+00018630: 3533 2034 3039 2c2d 3333 322e 3638 2036  53 409,-332.68 6\n+00018640: 3138 2e31 362c 2d32 3935 2e32 3720 3731  18.16,-295.27 71\n+00018650: 312e 3233 2c2d 3238 352e 3334 222f 3e0a  1.23,-285.34\"/>.\n+00018660: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n+00018670: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n+00018680: 6163 6b22 2070 6f69 6e74 733d 2237 3131  ack\" points=\"711\n+00018690: 2e36 2c2d 3238 382e 3833 2037 3231 2e31  .6,-288.83 721.1\n+000186a0: 392c 2d32 3834 2e33 3420 3731 302e 3839  9,-284.34 710.89\n+000186b0: 2c2d 3238 312e 3836 2037 3131 2e36 2c2d  ,-281.86 711.6,-\n+000186c0: 3238 382e 3833 222f 3e0a 3c2f 673e 0a3c  288.83\"/>.</g>.<\n+000186d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000186e0: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+000186f0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+00018700: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00018710: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00018720: 7768 202d 2d3e 0a3c 6720 6964 3d22 6564  wh -->.<g id=\"ed\n+00018730: 6765 3135 3322 2063 6c61 7373 3d22 6564  ge153\" class=\"ed\n+00018740: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00018750: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00018760: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n+00018770: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00018780: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00018790: 666f 7263 6573 5f61 7768 3c2f 7469 746c  forces_awh</titl\n+000187a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000187b0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+000187c0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+000187d0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+000187e0: 4d31 3535 312e 3038 2c2d 3132 3138 2e31  M1551.08,-1218.1\n+000187f0: 3543 3136 3139 2e31 352c 2d31 3231 312e  5C1619.15,-1211.\n+00018800: 3139 2031 3733 322e 3632 2c2d 3131 3936  19 1732.62,-1196\n+00018810: 2e36 3520 3137 3638 2c2d 3131 3734 2e35  .65 1768,-1174.5\n+00018820: 3320 3138 3033 2e31 342c 2d31 3135 322e  3 1803.14,-1152.\n+00018830: 3536 2031 3832 332c 2d31 3134 302e 3637  56 1823,-1140.67\n+00018840: 2031 3832 332c 2d31 3039 392e 3233 2031   1823,-1099.23 1\n+00018850: 3832 332c 2d31 3039 392e 3233 2031 3832  823,-1099.23 182\n+00018860: 332c 2d31 3039 392e 3233 2031 3832 332c  3,-1099.23 1823,\n+00018870: 2d39 3038 2e36 3220 3138 3233 2c2d 3836  -908.62 1823,-86\n+00018880: 302e 3032 2031 3639 352e 3534 2c2d 3737  0.02 1695.54,-77\n+00018890: 322e 3739 2031 3634 302e 3636 2c2d 3733  2.79 1640.66,-73\n+000188a0: 372e 3438 222f 3e0a 3c70 6f6c 7967 6f6e  7.48\"/>.<polygon\n+000188b0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+000188c0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+000188d0: 2070 6f69 6e74 733d 2231 3634 322e 3231   points=\"1642.21\n+000188e0: 2c2d 3733 342e 3332 2031 3633 312e 392c  ,-734.32 1631.9,\n+000188f0: 2d37 3331 2e38 3920 3136 3338 2e34 352c  -731.89 1638.45,\n+00018900: 2d37 3430 2e32 3220 3136 3432 2e32 312c  -740.22 1642.21,\n+00018910: 2d37 3334 2e33 3222 2f3e 0a3c 2f67 3e0a  -734.32\"/>.</g>.\n+00018920: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00018930: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+00018940: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n+00018950: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+00018960: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n+00018970: 6765 3136 3922 2063 6c61 7373 3d22 6564  ge169\" class=\"ed\n+00018980: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00018990: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+000189a0: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n+000189b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000189c0: 7465 7374 7574 696c 733c 2f74 6974 6c65  testutils</title\n+000189d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000189e0: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+000189f0: 2064 3d22 4d31 3535 362e 3036 2c2d 3132   d=\"M1556.06,-12\n+00018a00: 3231 2e38 3843 3137 3038 2e34 342c 2d31  21.88C1708.44,-1\n+00018a10: 3231 382e 3631 2032 3131 372e 3038 2c2d  218.61 2117.08,-\n+00018a20: 3132 3036 2e39 3820 3232 3438 2c2d 3131  1206.98 2248,-11\n+00018a30: 3734 2e35 3320 3233 3030 2e32 342c 2d31  74.53 2300.24,-1\n+00018a40: 3136 312e 3538 2032 3335 362e 3434 2c2d  161.58 2356.44,-\n+00018a50: 3131 3333 2e30 3920 3233 3838 2e37 392c  1133.09 2388.79,\n+00018a60: 2d31 3131 352e 3122 2f3e 0a3c 706f 6c79  -1115.1\"/>.<poly\n+00018a70: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+00018a80: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+00018a90: 7473 3d22 3233 3930 2e36 352c 2d31 3131  ts=\"2390.65,-111\n+00018aa0: 382e 3037 2032 3339 372e 3634 2c2d 3131  8.07 2397.64,-11\n+00018ab0: 3130 2e31 3120 3233 3837 2e32 322c 2d31  10.11 2387.22,-1\n+00018ac0: 3131 312e 3937 2032 3339 302e 3635 2c2d  111.97 2390.65,-\n+00018ad0: 3131 3138 2e30 3722 2f3e 0a3c 2f67 3e0a  1118.07\"/>.</g>.\n+00018ae0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00018af0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00018b00: 696e 6526 2334 353b 2667 743b 6d6f 6475  ine&#45;&gt;modu\n+00018b10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n+00018b20: 6e6c 696e 6568 656c 7020 2d2d 3e0a 3c67  nlinehelp -->.<g\n+00018b30: 2069 643d 2265 6467 6531 3731 2220 636c   id=\"edge171\" cl\n+00018b40: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00018b50: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00018b60: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+00018b70: 6526 2334 353b 2667 743b 6d6f 6475 6c65  e&#45;&gt;module\n+00018b80: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c  _src_gromacs_onl\n+00018b90: 696e 6568 656c 703c 2f74 6974 6c65 3e0a  inehelp</title>.\n+00018ba0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00018bb0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00018bc0: 6322 2064 3d22 4d31 3731 352e 3937 2c2d  c\" d=\"M1715.97,-\n+00018bd0: 3833 392e 3238 4331 3737 332e 3536 2c2d  839.28C1773.56,-\n+00018be0: 3833 302e 3633 2031 3837 372e 3633 2c2d  830.63 1877.63,-\n+00018bf0: 3831 342e 3339 2031 3936 362c 2d37 3937  814.39 1966,-797\n+00018c00: 2e33 3120 3139 3730 2e33 352c 2d37 3936  .31 1970.35,-796\n+00018c10: 2e34 3720 3139 3734 2e38 392c 2d37 3935  .47 1974.89,-795\n+00018c20: 2e35 3420 3139 3739 2e34 2c2d 3739 342e  .54 1979.4,-794.\n+00018c30: 3539 222f 3e0a 3c70 6f6c 7967 6f6e 2066  59\"/>.<polygon f\n+00018c40: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00018c50: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00018c60: 6f69 6e74 733d 2231 3938 302e 3136 2c2d  oints=\"1980.16,-\n+00018c70: 3739 382e 3031 2031 3938 392e 3139 2c2d  798.01 1989.19,-\n+00018c80: 3739 322e 3438 2031 3937 382e 3638 2c2d  792.48 1978.68,-\n+00018c90: 3739 312e 3137 2031 3938 302e 3136 2c2d  791.17 1980.16,-\n+00018ca0: 3739 382e 3031 222f 3e0a 3c2f 673e 0a3c  798.01\"/>.</g>.<\n+00018cb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00018cc0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n+00018cd0: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c  ne&#45;&gt;modul\n+00018ce0: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n+00018cf0: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d  tions -->.<g id=\n+00018d00: 2265 6467 6531 3730 2220 636c 6173 733d  \"edge170\" class=\n+00018d10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00018d20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00018d30: 735f 636f 6d6d 616e 646c 696e 6526 2334  s_commandline&#4\n+00018d40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00018d50: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73  _gromacs_options\n+00018d60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00018d70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00018d80: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00018d90: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00018da0: 3222 2064 3d22 4d31 3731 312e 3431 2c2d  2\" d=\"M1711.41,-\n+00018db0: 3833 372e 3835 4331 3738 362e 3537 2c2d  837.85C1786.57,-\n+00018dc0: 3832 302e 3234 2031 3934 332c 2d37 3730  820.24 1943,-770\n+00018dd0: 2e32 3420 3139 3433 2c2d 3635 392e 3134  .24 1943,-659.14\n+00018de0: 2031 3934 332c 2d36 3539 2e31 3420 3139   1943,-659.14 19\n+00018df0: 3433 2c2d 3635 392e 3134 2031 3934 332c  43,-659.14 1943,\n+00018e00: 2d35 3934 2e32 3720 3139 3433 2c2d 3535  -594.27 1943,-55\n+00018e10: 382e 3434 2031 3935 312e 3237 2c2d 3531  8.44 1951.27,-51\n+00018e20: 372e 3531 2031 3935 372e 3138 2c2d 3439  7.51 1957.18,-49\n+00018e30: 322e 3837 222f 3e0a 3c70 6f6c 7967 6f6e  2.87\"/>.<polygon\n+00018e40: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00018e50: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00018e60: 2070 6f69 6e74 733d 2231 3936 302e 362c   points=\"1960.6,\n+00018e70: 2d34 3933 2e36 3120 3139 3539 2e36 312c  -493.61 1959.61,\n+00018e80: 2d34 3833 2e30 3620 3139 3533 2e38 2c2d  -483.06 1953.8,-\n+00018e90: 3439 312e 3933 2031 3936 302e 362c 2d34  491.93 1960.6,-4\n+00018ea0: 3933 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21  93.61\"/>.</g>.<!\n+00018eb0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00018ec0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+00018ed0: 6526 2334 353b 2667 743b 6d6f 6475 6c65  e&#45;&gt;module\n+00018ee0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+00018ef0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+00018f00: 6467 6531 3732 2220 636c 6173 733d 2265  dge172\" class=\"e\n+00018f10: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00018f20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00018f30: 636f 6d6d 616e 646c 696e 6526 2334 353b  commandline&#45;\n+00018f40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00018f50: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n+00018f60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00018f70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00018f80: 2362 6662 6662 6622 2064 3d22 4d31 3633  #bfbfbf\" d=\"M163\n+00018f90: 332e 3332 2c2d 3833 372e 3643 3135 3736  3.32,-837.6C1576\n+00018fa0: 2e35 312c 2d38 3235 2e36 3320 3134 3731  .51,-825.63 1471\n+00018fb0: 2e33 392c 2d38 3033 2e34 3920 3134 3137  .39,-803.49 1417\n+00018fc0: 2e32 332c 2d37 3932 2e30 3822 2f3e 0a3c  .23,-792.08\"/>.<\n+00018fd0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00018fe0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00018ff0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00019000: 3134 3137 2e36 312c 2d37 3838 2e35 3920  1417.61,-788.59 \n+00019010: 3134 3037 2e31 2c2d 3738 392e 3935 2031  1407.1,-789.95 1\n+00019020: 3431 362e 3137 2c2d 3739 352e 3434 2031  416.17,-795.44 1\n+00019030: 3431 372e 3631 2c2d 3738 382e 3539 222f  417.61,-788.59\"/\n+00019040: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00019050: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n+00019060: 6573 7472 6169 6e74 2623 3435 3b26 6774  estraint&#45;&gt\n+00019070: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00019080: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n+00019090: 3c67 2069 643d 2265 6467 6531 3733 2220  <g id=\"edge173\" \n+000190a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000190b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000190c0: 6772 6f6d 6163 735f 7265 7374 7261 696e  gromacs_restrain\n+000190d0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+000190e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000190f0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+00019100: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00019110: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00019120: 643d 224d 3333 322e 3332 2c2d 3534 362e  d=\"M332.32,-546.\n+00019130: 3034 4333 3331 2e31 382c 2d35 3638 2e34  04C331.18,-568.4\n+00019140: 3320 3332 392c 2d36 3136 2e35 3120 3332  3 329,-616.51 32\n+00019150: 392c 2d36 3537 2e31 3420 3332 392c 2d37  9,-657.14 329,-7\n+00019160: 3232 2e30 3120 3332 392c 2d37 3232 2e30  22.01 329,-722.0\n+00019170: 3120 3332 392c 2d37 3232 2e30 3120 3332  1 329,-722.01 32\n+00019180: 392c 2d37 3630 2e32 3120 3430 362e 3338  9,-760.21 406.38\n+00019190: 2c2d 3130 3234 2e36 3620 3433 362c 2d31  ,-1024.66 436,-1\n+000191a0: 3034 382e 3739 2034 3831 2e37 2c2d 3130  048.79 481.7,-10\n+000191b0: 3836 2e30 3120 3635 342e 3934 2c2d 3130  86.01 654.94,-10\n+000191c0: 3934 2e36 3620 3734 302e 3534 2c2d 3130  94.66 740.54,-10\n+000191d0: 3936 2e36 3522 2f3e 0a3c 706f 6c79 676f  96.65\"/>.<polygo\n+000191e0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+000191f0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00019200: 2220 706f 696e 7473 3d22 3734 302e 3731  \" points=\"740.71\n+00019210: 2c2d 3131 3030 2e31 3520 3735 302e 3738  ,-1100.15 750.78\n+00019220: 2c2d 3130 3936 2e38 3620 3734 302e 3835  ,-1096.86 740.85\n+00019230: 2c2d 3130 3933 2e31 3520 3734 302e 3731  ,-1093.15 740.71\n+00019240: 2c2d 3131 3030 2e31 3522 2f3e 0a3c 2f67  ,-1100.15\"/>.</g\n+00019250: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00019260: 635f 6772 6f6d 6163 735f 7265 7374 7261  c_gromacs_restra\n+00019270: 696e 7426 2334 353b 2667 743b 6d6f 6475  int&#45;&gt;modu\n+00019280: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00019290: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+000192a0: 2265 6467 6531 3735 2220 636c 6173 733d  \"edge175\" class=\n+000192b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+000192c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000192d0: 735f 7265 7374 7261 696e 7426 2334 353b  s_restraint&#45;\n+000192e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000192f0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74  romacs_gmxlib</t\n+00019300: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00019310: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00019320: 2362 6662 6662 6622 2064 3d22 4d33 3335  #bfbfbf\" d=\"M335\n+00019330: 2e37 312c 2d35 3435 2e39 3743 3334 302e  .71,-545.97C340.\n+00019340: 3238 2c2d 3536 382e 3236 2033 3439 2c2d  28,-568.26 349,-\n+00019350: 3631 362e 3220 3334 392c 2d36 3537 2e31  616.2 349,-657.1\n+00019360: 3420 3334 392c 2d37 3232 2e30 3120 3334  4 349,-722.01 34\n+00019370: 392c 2d37 3232 2e30 3120 3334 392c 2d37  9,-722.01 349,-7\n+00019380: 3232 2e30 3120 3334 392c 2d37 3536 2e31  22.01 349,-756.1\n+00019390: 3320 3334 332e 3435 2c2d 3737 302e 3036  3 343.45,-770.06\n+000193a0: 2033 3634 2c2d 3739 372e 3331 2033 3835   364,-797.31 385\n+000193b0: 2e30 372c 2d38 3235 2e32 3420 3430 352e  .07,-825.24 405.\n+000193c0: 3138 2c2d 3831 332e 3438 2034 3334 2c2d  18,-813.48 434,-\n+000193d0: 3833 332e 3331 2034 3438 2e37 352c 2d38  833.31 448.75,-8\n+000193e0: 3433 2e34 3620 3434 372e 3733 2c2d 3835  43.46 447.73,-85\n+000193f0: 322e 3731 2034 3634 2c2d 3836 302e 3138  2.71 464,-860.18\n+00019400: 2035 3231 2e34 322c 2d38 3836 2e35 3620   521.42,-886.56 \n+00019410: 3730 362e 3833 2c2d 3930 302e 3935 2037  706.83,-900.95 7\n+00019420: 3930 2e34 332c 2d39 3036 2e32 3322 2f3e  90.43,-906.23\"/>\n+00019430: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00019440: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00019450: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00019460: 3d22 3739 302e 3339 2c2d 3930 392e 3734  =\"790.39,-909.74\n+00019470: 2038 3030 2e35 382c 2d39 3036 2e38 3620   800.58,-906.86 \n+00019480: 3739 302e 3832 2c2d 3930 322e 3735 2037  790.82,-902.75 7\n+00019490: 3930 2e33 392c 2d39 3039 2e37 3422 2f3e  90.39,-909.74\"/>\n+000194a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000194b0: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n+000194c0: 7374 7261 696e 7426 2334 353b 2667 743b  straint&#45;&gt;\n+000194d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000194e0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n+000194f0: 2069 643d 2265 6467 6531 3734 2220 636c   id=\"edge174\" cl\n+00019500: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00019510: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00019520: 6f6d 6163 735f 7265 7374 7261 696e 7426  omacs_restraint&\n+00019530: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00019540: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+00019550: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n+00019560: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00019570: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+00019580: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00019590: 2c32 2220 643d 224d 3333 332e 3839 2c2d  ,2\" d=\"M333.89,-\n+000195a0: 3531 382e 3943 3333 372e 3536 2c2d 3437  518.9C337.56,-47\n+000195b0: 312e 3138 2033 3533 2e32 312c 2d33 3031  1.18 353.21,-301\n+000195c0: 2e34 2033 3932 2c2d 3236 372e 3438 2033  .4 392,-267.48 3\n+000195d0: 3934 2e34 322c 2d32 3635 2e33 3620 3737  94.42,-265.36 77\n+000195e0: 342e 3238 2c2d 3233 332e 3735 2039 3036  4.28,-233.75 906\n+000195f0: 2e39 322c 2d32 3232 2e37 3722 2f3e 0a3c  .92,-222.77\"/>.<\n+00019600: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00019610: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00019620: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00019630: 3930 372e 3437 2c2d 3232 362e 3234 2039  907.47,-226.24 9\n+00019640: 3137 2e31 342c 2d32 3231 2e39 3220 3930  17.14,-221.92 90\n+00019650: 362e 3839 2c2d 3231 392e 3236 2039 3037  6.89,-219.26 907\n+00019660: 2e34 372c 2d32 3236 2e32 3422 2f3e 0a3c  .47,-226.24\"/>.<\n+00019670: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00019680: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+00019690: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n+000196a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000196b0: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n+000196c0: 6564 6765 3138 3022 2063 6c61 7373 3d22  edge180\" class=\"\n+000196d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000196e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000196f0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n+00019700: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00019710: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+00019720: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00019730: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00019740: 2064 3d22 4d35 3634 2e35 342c 2d39 3835   d=\"M564.54,-985\n+00019750: 2e35 3643 3537 352e 3537 2c2d 3130 3032  .56C575.57,-1002\n+00019760: 2e32 3320 3539 372e 3639 2c2d 3130 3332  .23 597.69,-1032\n+00019770: 2e31 3220 3632 342c 2d31 3034 382e 3739  .12 624,-1048.79\n+00019780: 2036 3630 2e38 342c 2d31 3037 322e 3133   660.84,-1072.13\n+00019790: 2037 3039 2e33 372c 2d31 3038 342e 3620   709.37,-1084.6 \n+000197a0: 3734 342e 3234 2c2d 3130 3931 2e30 3122  744.24,-1091.01\"\n+000197b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000197c0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+000197d0: 6564 2220 706f 696e 7473 3d22 3734 332e  ed\" points=\"743.\n+000197e0: 3639 2c2d 3130 3934 2e34 3720 3735 342e  69,-1094.47 754.\n+000197f0: 3135 2c2d 3130 3932 2e37 3420 3734 342e  15,-1092.74 744.\n+00019800: 3839 2c2d 3130 3837 2e35 3720 3734 332e  89,-1087.57 743.\n+00019810: 3639 2c2d 3130 3934 2e34 3722 2f3e 0a3c  69,-1094.47\"/>.<\n+00019820: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00019830: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+00019840: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n+00019850: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00019860: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+00019870: 6467 6531 3831 2220 636c 6173 733d 2265  dge181\" class=\"e\n+00019880: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00019890: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000198a0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f  nbnxm&#45;&gt;mo\n+000198b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000198c0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+000198d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000198e0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000198f0: 6622 2064 3d22 4d35 3834 2e36 332c 2d39  f\" d=\"M584.63,-9\n+00019900: 3635 2e33 3743 3633 342e 3338 2c2d 3935  65.37C634.38,-95\n+00019910: 342e 3336 2037 3339 2e30 342c 2d39 3331  4.36 739.04,-931\n+00019920: 2e31 3920 3739 342e 3935 2c2d 3931 382e  .19 794.95,-918.\n+00019930: 3832 222f 3e0a 3c70 6f6c 7967 6f6e 2066  82\"/>.<polygon f\n+00019940: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00019950: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00019960: 6f69 6e74 733d 2237 3935 2e37 392c 2d39  oints=\"795.79,-9\n+00019970: 3232 2e32 3220 3830 342e 382c 2d39 3136  22.22 804.8,-916\n+00019980: 2e36 3420 3739 342e 3238 2c2d 3931 352e  .64 794.28,-915.\n+00019990: 3338 2037 3935 2e37 392c 2d39 3232 2e32  38 795.79,-922.2\n+000199a0: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  2\"/>.</g>.<!-- m\n+000199b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000199c0: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n+000199d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000199e0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n+000199f0: 0a3c 6720 6964 3d22 6564 6765 3137 3722  .<g id=\"edge177\"\n+00019a00: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00019a10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00019a20: 5f67 726f 6d61 6373 5f6e 626e 786d 2623  _gromacs_nbnxm&#\n+00019a30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00019a40: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00019a50: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+00019a60: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00019a70: 726f 6b65 3d22 7265 6422 2064 3d22 4d35  roke=\"red\" d=\"M5\n+00019a80: 3835 2e33 352c 2d39 3739 2e32 3543 3539  85.35,-979.25C59\n+00019a90: 342e 3333 2c2d 3938 312e 3532 2036 3034  4.33,-981.52 604\n+00019aa0: 2e30 382c 2d39 3834 2e30 3320 3631 332c  .08,-984.03 613,\n+00019ab0: 2d39 3835 2e39 3220 3639 392e 3438 2c2d  -985.92 699.48,-\n+00019ac0: 3130 3034 2e32 3920 3830 312e 3238 2c2d  1004.29 801.28,-\n+00019ad0: 3130 3139 2e33 3720 3835 382e 3737 2c2d  1019.37 858.77,-\n+00019ae0: 3130 3237 2e35 3922 2f3e 0a3c 706f 6c79  1027.59\"/>.<poly\n+00019af0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+00019b00: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+00019b10: 7473 3d22 3835 382e 3538 2c2d 3130 3331  ts=\"858.58,-1031\n+00019b20: 2e31 2038 3638 2e39 382c 2d31 3032 392e  .1 868.98,-1029.\n+00019b30: 3034 2038 3539 2e35 372c 2d31 3032 342e  04 859.57,-1024.\n+00019b40: 3137 2038 3538 2e35 382c 2d31 3033 312e  17 858.58,-1031.\n+00019b50: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+00019b60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00019b70: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n+00019b80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00019b90: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n+00019ba0: 2069 643d 2265 6467 6531 3736 2220 636c   id=\"edge176\" cl\n+00019bb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00019bc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00019bd0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n+00019be0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00019bf0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+00019c00: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00019c10: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00019c20: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00019c30: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00019c40: 643d 224d 3533 362e 3333 2c2d 3936 312e  d=\"M536.33,-961.\n+00019c50: 3838 4334 3933 2e35 312c 2d39 3338 2e33  88C493.51,-938.3\n+00019c60: 3220 3339 352e 3639 2c2d 3837 332e 3934  2 395.69,-873.94\n+00019c70: 2033 3338 2c2d 3739 372e 3331 2033 3031   338,-797.31 301\n+00019c80: 2e33 312c 2d37 3438 2e35 3820 3330 302e  .31,-748.58 300.\n+00019c90: 3135 2c2d 3733 302e 3131 2032 3833 2c2d  15,-730.11 283,-\n+00019ca0: 3637 312e 3537 2032 3633 2e37 362c 2d36  671.57 263.76,-6\n+00019cb0: 3035 2e39 3220 3235 302e 3133 2c2d 3538  05.92 250.13,-58\n+00019cc0: 362e 3135 2032 3633 2c2d 3531 382e 3936  6.15 263,-518.96\n+00019cd0: 2032 3638 2e36 362c 2d34 3839 2e34 3320   268.66,-489.43 \n+00019ce0: 3333 382e 3834 2c2d 3238 352e 3339 2033  338.84,-285.39 3\n+00019cf0: 3633 2c2d 3236 372e 3438 2033 3633 2e33  63,-267.48 363.3\n+00019d00: 342c 2d32 3637 2e32 3320 3736 392e 3036  4,-267.23 769.06\n+00019d10: 2c2d 3233 332e 3520 3930 362e 392c 2d32  ,-233.5 906.9,-2\n+00019d20: 3232 2e34 3822 2f3e 0a3c 706f 6c79 676f  22.48\"/>.<polygo\n+00019d30: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00019d40: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00019d50: 2220 706f 696e 7473 3d22 3930 372e 3433  \" points=\"907.43\n+00019d60: 2c2d 3232 352e 3935 2039 3137 2e31 322c  ,-225.95 917.12,\n+00019d70: 2d32 3231 2e36 3720 3930 362e 3837 2c2d  -221.67 906.87,-\n+00019d80: 3231 382e 3937 2039 3037 2e34 332c 2d32  218.97 907.43,-2\n+00019d90: 3235 2e39 3522 2f3e 0a3c 2f67 3e0a 3c21  25.95\"/>.</g>.<!\n+00019da0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00019db0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n+00019dc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00019dd0: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+00019de0: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n+00019df0: 6564 6765 3138 3222 2063 6c61 7373 3d22  edge182\" class=\"\n+00019e00: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00019e10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00019e20: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n+00019e30: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00019e40: 735f 6c69 7374 6564 5f66 6f72 6365 733c  s_listed_forces<\n+00019e50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00019e60: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00019e70: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00019e80: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00019e90: 2220 643d 224d 3532 382e 3639 2c2d 3936  \" d=\"M528.69,-96\n+00019ea0: 352e 3534 4335 3139 2e37 322c 2d39 3633  5.54C519.72,-963\n+00019eb0: 2e32 3520 3530 392e 3935 2c2d 3936 302e  .25 509.95,-960.\n+00019ec0: 3737 2035 3031 2c2d 3935 392e 3035 2033  77 501,-959.05 3\n+00019ed0: 3639 2e39 382c 2d39 3333 2e39 3320 3332  69.98,-933.93 32\n+00019ee0: 362e 3233 2c2d 3937 342e 3136 2032 3033  6.23,-974.16 203\n+00019ef0: 2c2d 3932 332e 3035 2031 3533 2e32 332c  ,-923.05 153.23,\n+00019f00: 2d39 3032 2e34 3120 3130 382c 2d39 3031  -902.41 108,-901\n+00019f10: 2e36 3220 3130 382c 2d38 3437 2e37 3520  .62 108,-847.75 \n+00019f20: 3130 382c 2d38 3437 2e37 3520 3130 382c  108,-847.75 108,\n+00019f30: 2d38 3437 2e37 3520 3130 382c 2d32 3739  -847.75 108,-279\n+00019f40: 2e39 3220 3130 382c 2d32 3435 2e35 2031  .92 108,-245.5 1\n+00019f50: 3033 2e36 362c 2d32 3330 2e37 3920 3132  03.66,-230.79 12\n+00019f60: 362c 2d32 3034 2e36 3120 3134 342e 3032  6,-204.61 144.02\n+00019f70: 2c2d 3138 332e 3520 3137 322e 3732 2c2d  ,-183.5 172.72,-\n+00019f80: 3137 312e 3433 2031 3938 2e32 362c 2d31  171.43 198.26,-1\n+00019f90: 3634 2e36 3222 2f3e 0a3c 706f 6c79 676f  64.62\"/>.<polygo\n+00019fa0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00019fb0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00019fc0: 2220 706f 696e 7473 3d22 3139 392e 3335  \" points=\"199.35\n+00019fd0: 2c2d 3136 372e 3936 2032 3038 2e32 332c  ,-167.96 208.23,\n+00019fe0: 2d31 3632 2e31 3820 3139 372e 3639 2c2d  -162.18 197.69,-\n+00019ff0: 3136 312e 3136 2031 3939 2e33 352c 2d31  161.16 199.35,-1\n+0001a000: 3637 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21  67.96\"/>.</g>.<!\n+0001a010: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001a020: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n+0001a030: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001a040: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n+0001a050: 0a3c 6720 6964 3d22 6564 6765 3137 3922  .<g id=\"edge179\"\n+0001a060: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001a070: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001a080: 5f67 726f 6d61 6373 5f6e 626e 786d 2623  _gromacs_nbnxm&#\n+0001a090: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001a0a0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c  c_gromacs_mdlib<\n+0001a0b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001a0c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001a0d0: 3d22 2362 6662 6662 6622 2064 3d22 4d35  =\"#bfbfbf\" d=\"M5\n+0001a0e0: 3839 2e35 342c 2d39 3731 2e31 4337 3434  89.54,-971.1C744\n+0001a0f0: 2e32 362c 2d39 3639 2e31 3720 3134 3030  .26,-969.17 1400\n+0001a100: 2e31 362c 2d39 3539 2e31 3320 3134 3834  .16,-959.13 1484\n+0001a110: 2c2d 3932 332e 3035 2031 3439 332e 332c  ,-923.05 1493.3,\n+0001a120: 2d39 3139 2e30 3520 3135 3436 2e30 312c  -919.05 1546.01,\n+0001a130: 2d38 3639 2e34 3920 3135 3530 2c2d 3836  -869.49 1550,-86\n+0001a140: 302e 3138 2031 3535 342e 372c 2d38 3439  0.18 1554.7,-849\n+0001a150: 2e32 2031 3535 332e 3231 2c2d 3834 342e  .2 1553.21,-844.\n+0001a160: 3831 2031 3535 302c 2d38 3333 2e33 3120  81 1550,-833.31 \n+0001a170: 3135 3337 2e37 372c 2d37 3839 2e34 3820  1537.77,-789.48 \n+0001a180: 3133 3536 2e38 312c 2d35 3234 2e33 3920  1356.81,-524.39 \n+0001a190: 3133 3338 2c2d 3438 322e 3936 2031 3332  1338,-482.96 132\n+0001a1a0: 312e 3131 2c2d 3434 352e 3735 2031 3330  1.11,-445.75 130\n+0001a1b0: 352e 3936 2c2d 3433 322e 3237 2031 3331  5.96,-432.27 131\n+0001a1c0: 382c 2d33 3933 2e32 3220 3133 3231 2e34  8,-393.22 1321.4\n+0001a1d0: 392c 2d33 3831 2e39 2031 3332 382e 3632  9,-381.9 1328.62\n+0001a1e0: 2c2d 3337 302e 3837 2031 3333 362e 3232  ,-370.87 1336.22\n+0001a1f0: 2c2d 3336 322e 3139 222f 3e0a 3c70 6f6c  ,-362.19\"/>.<pol\n+0001a200: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+0001a210: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+0001a220: 6662 6622 2070 6f69 6e74 733d 2231 3333  fbf\" points=\"133\n+0001a230: 382e 3739 2c2d 3336 342e 3537 2031 3334  8.79,-364.57 134\n+0001a240: 332e 3233 2c2d 3335 342e 3935 2031 3333  3.23,-354.95 133\n+0001a250: 332e 3736 2c2d 3335 392e 3720 3133 3338  3.76,-359.7 1338\n+0001a260: 2e37 392c 2d33 3634 2e35 3722 2f3e 0a3c  .79,-364.57\"/>.<\n+0001a270: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001a280: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+0001a290: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n+0001a2a0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+0001a2b0: 6477 6172 6520 2d2d 3e0a 3c67 2069 643d  dware -->.<g id=\n+0001a2c0: 2265 6467 6531 3738 2220 636c 6173 733d  \"edge178\" class=\n+0001a2d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001a2e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001a2f0: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n+0001a300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001a310: 6373 5f68 6172 6477 6172 653c 2f74 6974  cs_hardware</tit\n+0001a320: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001a330: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+0001a340: 6422 2064 3d22 4d35 3236 2e38 332c 2d39  d\" d=\"M526.83,-9\n+0001a350: 3637 2e31 3443 3434 332e 3632 2c2d 3935  67.14C443.62,-95\n+0001a360: 342e 3332 2032 3137 2c2d 3931 332e 3339  4.32 217,-913.39\n+0001a370: 2032 3137 2c2d 3834 372e 3735 2032 3137   217,-847.75 217\n+0001a380: 2c2d 3834 372e 3735 2032 3137 2c2d 3834  ,-847.75 217,-84\n+0001a390: 372e 3735 2032 3137 2c2d 3738 322e 3838  7.75 217,-782.88\n+0001a3a0: 2032 3137 2c2d 3639 382e 3035 2031 3737   217,-698.05 177\n+0001a3b0: 2c2d 3638 312e 3039 2031 3737 2c2d 3539  ,-681.09 177,-59\n+0001a3c0: 362e 3237 2031 3737 2c2d 3539 362e 3237  6.27 177,-596.27\n+0001a3d0: 2031 3737 2c2d 3539 362e 3237 2031 3737   177,-596.27 177\n+0001a3e0: 2c2d 3436 382e 3533 2031 3737 2c2d 3337  ,-468.53 177,-37\n+0001a3f0: 332e 3136 2031 3736 2e36 322c 2d33 3235  3.16 176.62,-325\n+0001a400: 2e39 2032 3532 2c2d 3236 372e 3438 2033  .9 252,-267.48 3\n+0001a410: 3734 2e34 312c 2d31 3732 2e36 2034 3235  74.41,-172.6 425\n+0001a420: 2e32 372c 2d31 3732 2e38 3120 3537 372c  .27,-172.81 577,\n+0001a430: 2d31 3431 2e37 3420 3731 302e 3532 2c2d  -141.74 710.52,-\n+0001a440: 3131 342e 3420 3136 3837 2e38 352c 2d39  114.4 1687.85,-9\n+0001a450: 372e 3637 2031 3932 302e 3433 2c2d 3934  7.67 1920.43,-94\n+0001a460: 2e30 3522 2f3e 0a3c 706f 6c79 676f 6e20  .05\"/>.<polygon \n+0001a470: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n+0001a480: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n+0001a490: 3139 3230 2e36 372c 2d39 372e 3535 2031  1920.67,-97.55 1\n+0001a4a0: 3933 302e 3632 2c2d 3933 2e38 3920 3139  930.62,-93.89 19\n+0001a4b0: 3230 2e35 362c 2d39 302e 3535 2031 3932  20.56,-90.55 192\n+0001a4c0: 302e 3637 2c2d 3937 2e35 3522 2f3e 0a3c  0.67,-97.55\"/>.<\n+0001a4d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001a4e0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+0001a4f0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n+0001a500: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+0001a510: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564  ld -->.<g id=\"ed\n+0001a520: 6765 3138 3322 2063 6c61 7373 3d22 6564  ge183\" class=\"ed\n+0001a530: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0001a540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e  le_src_gromacs_n\n+0001a550: 626e 786d 2623 3435 3b26 6774 3b6d 6f64  bnxm&#45;&gt;mod\n+0001a560: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001a570: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70  ewald</title>.<p\n+0001a580: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001a590: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+0001a5a0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+0001a5b0: 793d 2235 2c32 2220 643d 224d 3535 332e  y=\"5,2\" d=\"M553.\n+0001a5c0: 3939 2c2d 3935 392e 3034 4335 3531 2e39  99,-959.04C551.9\n+0001a5d0: 332c 2d39 3232 2e36 3120 3536 302c 2d38  3,-922.61 560,-8\n+0001a5e0: 3133 2e30 3720 3536 302c 2d37 3232 2e30  13.07 560,-722.0\n+0001a5f0: 3120 3536 302c 2d37 3232 2e30 3120 3536  1 560,-722.01 56\n+0001a600: 302c 2d37 3232 2e30 3120 3536 302c 2d35  0,-722.01 560,-5\n+0001a610: 3934 2e32 3720 3536 302c 2d35 3630 2e31  94.27 560,-560.1\n+0001a620: 3420 3535 362e 3534 2c2d 3534 372e 3636  4 556.54,-547.66\n+0001a630: 2035 3735 2c2d 3531 382e 3936 2035 3839   575,-518.96 589\n+0001a640: 2e38 322c 2d34 3935 2e39 3320 3630 352e  .82,-495.93 605.\n+0001a650: 3537 2c2d 3530 322e 3236 2036 3235 2c2d  57,-502.26 625,-\n+0001a660: 3438 322e 3936 2036 3432 2e31 352c 2d34  482.96 642.15,-4\n+0001a670: 3635 2e39 3220 3635 382e 3031 2c2d 3434  65.92 658.01,-44\n+0001a680: 332e 3134 2036 3730 2e30 332c 2d34 3237  3.14 670.03,-427\n+0001a690: 2e31 3122 2f3e 0a3c 706f 6c79 676f 6e20  .11\"/>.<polygon \n+0001a6a0: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+0001a6b0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+0001a6c0: 706f 696e 7473 3d22 3637 322e 3937 2c2d  points=\"672.97,-\n+0001a6d0: 3432 392e 3033 2036 3736 2e33 2c2d 3431  429.03 676.3,-41\n+0001a6e0: 382e 3937 2036 3637 2e34 332c 2d34 3234  8.97 667.43,-424\n+0001a6f0: 2e37 3620 3637 322e 3937 2c2d 3432 392e  .76 672.97,-429.\n+0001a700: 3033 222f 3e0a 3c2f 673e 0a3c 212d 2d20  03\"/>.</g>.<!-- \n+0001a710: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001a720: 6373 5f74 6162 6c65 7326 2334 353b 2667  cs_tables&#45;&g\n+0001a730: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001a740: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n+0001a750: 0a3c 6720 6964 3d22 6564 6765 3138 3622  .<g id=\"edge186\"\n+0001a760: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001a770: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001a780: 5f67 726f 6d61 6373 5f74 6162 6c65 7326  _gromacs_tables&\n+0001a790: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001a7a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+0001a7b0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+0001a7c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001a7d0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+0001a7e0: 224d 3330 392e 3136 2c2d 3937 2e38 3943  \"M309.16,-97.89C\n+0001a7f0: 3233 312e 3331 2c2d 3131 312e 3531 2031  231.31,-111.51 1\n+0001a800: 372c 2d31 3534 2e36 3520 3137 2c2d 3231  7,-154.65 17,-21\n+0001a810: 372e 3035 2031 372c 2d36 3539 2e31 3420  7.05 17,-659.14 \n+0001a820: 3137 2c2d 3635 392e 3134 2031 372c 2d36  17,-659.14 17,-6\n+0001a830: 3539 2e31 3420 3137 2c2d 3737 372e 3436  59.14 17,-777.46\n+0001a840: 202d 3135 2e35 332c 2d38 3235 2e38 3920   -15.53,-825.89 \n+0001a850: 3532 2c2d 3932 332e 3035 2031 3230 2e30  52,-923.05 120.0\n+0001a860: 362c 2d31 3032 302e 3936 2031 3734 2e38  6,-1020.96 174.8\n+0001a870: 312c 2d31 3031 342e 3435 2032 3839 2c2d  1,-1014.45 289,-\n+0001a880: 3130 3438 2e37 3920 3337 322e 3836 2c2d  1048.79 372.86,-\n+0001a890: 3130 3734 2e30 3120 3633 322e 3832 2c2d  1074.01 632.82,-\n+0001a8a0: 3130 3839 2e34 3720 3734 312c 2d31 3039  1089.47 741,-109\n+0001a8b0: 342e 3936 222f 3e0a 3c70 6f6c 7967 6f6e  4.96\"/>.<polygon\n+0001a8c0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+0001a8d0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001a8e0: 2070 6f69 6e74 733d 2237 3431 2e31 332c   points=\"741.13,\n+0001a8f0: 2d31 3039 382e 3437 2037 3531 2e32 392c  -1098.47 751.29,\n+0001a900: 2d31 3039 352e 3438 2037 3431 2e34 382c  -1095.48 741.48,\n+0001a910: 2d31 3039 312e 3438 2037 3431 2e31 332c  -1091.48 741.13,\n+0001a920: 2d31 3039 382e 3437 222f 3e0a 3c2f 673e  -1098.47\"/>.</g>\n+0001a930: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001a940: 5f67 726f 6d61 6373 5f74 6162 6c65 7326  _gromacs_tables&\n+0001a950: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001a960: 7263 5f67 726f 6d61 6373 5f6d 6473 7061  rc_gromacs_mdspa\n+0001a970: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467  n -->.<g id=\"edg\n+0001a980: 6531 3835 2220 636c 6173 733d 2265 6467  e185\" class=\"edg\n+0001a990: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001a9a0: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n+0001a9b0: 626c 6573 2623 3435 3b26 6774 3b6d 6f64  bles&#45;&gt;mod\n+0001a9c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001a9d0: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c  mdspan</title>.<\n+0001a9e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001a9f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0001aa00: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0001aa10: 6179 3d22 352c 3222 2064 3d22 4d33 3635  ay=\"5,2\" d=\"M365\n+0001aa20: 2e39 382c 2d38 382e 3139 4333 3934 2e30  .98,-88.19C394.0\n+0001aa30: 372c 2d38 352e 3239 2034 3337 2e39 312c  7,-85.29 437.91,\n+0001aa40: 2d38 312e 3039 2034 3736 2c2d 3738 2e38  -81.09 476,-78.8\n+0001aa50: 3720 3131 3630 2e33 342c 2d33 382e 3933  7 1160.34,-38.93\n+0001aa60: 2031 3939 352e 3536 2c2d 3331 2e38 3220   1995.56,-31.82 \n+0001aa70: 3231 3938 2e38 322c 2d33 302e 3635 222f  2198.82,-30.65\"/\n+0001aa80: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001aa90: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001aaa0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0001aab0: 733d 2232 3139 382e 3836 2c2d 3334 2e31  s=\"2198.86,-34.1\n+0001aac0: 3520 3232 3038 2e38 342c 2d33 302e 3539  5 2208.84,-30.59\n+0001aad0: 2032 3139 382e 3832 2c2d 3237 2e31 3520   2198.82,-27.15 \n+0001aae0: 3231 3938 2e38 362c 2d33 342e 3135 222f  2198.86,-34.15\"/\n+0001aaf0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001ab00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001ab10: 6162 6c65 7326 2334 353b 2667 743b 6d6f  ables&#45;&gt;mo\n+0001ab20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001ab30: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n+0001ab40: 643d 2265 6467 6531 3834 2220 636c 6173  d=\"edge184\" clas\n+0001ab50: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001ab60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001ab70: 6163 735f 7461 626c 6573 2623 3435 3b26  acs_tables&#45;&\n+0001ab80: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001ab90: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+0001aba0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001abb0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001abc0: 6266 6266 6266 2220 643d 224d 3334 362e  bfbfbf\" d=\"M346.\n+0001abd0: 3932 2c2d 3130 352e 3243 3338 342e 3137  92,-105.2C384.17\n+0001abe0: 2c2d 3135 302e 3035 2035 3138 2e36 352c  ,-150.05 518.65,\n+0001abf0: 2d33 3133 2e35 3720 3631 392c 2d34 3536  -313.57 619,-456\n+0001ac00: 2e30 3920 3636 352e 3237 2c2d 3532 312e  .09 665.27,-521.\n+0001ac10: 3820 3635 392e 3834 2c2d 3535 312e 3231  8 659.84,-551.21\n+0001ac20: 2037 3136 2c2d 3630 382e 3720 3738 362e   716,-608.7 786.\n+0001ac30: 3235 2c2d 3638 302e 3620 3830 392e 3431  25,-680.6 809.41\n+0001ac40: 2c2d 3730 302e 3433 2039 3034 2c2d 3733  ,-700.43 904,-73\n+0001ac50: 342e 3434 2039 3835 2e34 2c2d 3736 332e  4.44 985.4,-763.\n+0001ac60: 3731 2031 3234 382e 3332 2c2d 3737 372e  71 1248.32,-777.\n+0001ac70: 3331 2031 3334 362e 3031 2c2d 3738 312e  31 1346.01,-781.\n+0001ac80: 3435 222f 3e0a 3c70 6f6c 7967 6f6e 2066  45\"/>.<polygon f\n+0001ac90: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+0001aca0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+0001acb0: 6f69 6e74 733d 2231 3334 362e 3134 2c2d  oints=\"1346.14,-\n+0001acc0: 3738 342e 3936 2031 3335 362e 3238 2c2d  784.96 1356.28,-\n+0001acd0: 3738 312e 3837 2031 3334 362e 3433 2c2d  781.87 1346.43,-\n+0001ace0: 3737 372e 3936 2031 3334 362e 3134 2c2d  777.96 1346.14,-\n+0001acf0: 3738 342e 3936 222f 3e0a 3c2f 673e 0a3c  784.96\"/>.</g>.<\n+0001ad00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001ad10: 726f 6d61 6373 5f74 7261 6a65 6374 6f72  romacs_trajector\n+0001ad20: 7961 6e61 6c79 7369 7320 2d2d 3e0a 3c67  yanalysis -->.<g\n+0001ad30: 2069 643d 226e 6f64 6533 3022 2063 6c61   id=\"node30\" cla\n+0001ad40: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n+0001ad50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001ad60: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n+0001ad70: 6e61 6c79 7369 733c 2f74 6974 6c65 3e0a  nalysis</title>.\n+0001ad80: 3c67 2069 643d 2261 5f6e 6f64 6533 3022  <g id=\"a_node30\"\n+0001ad90: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n+0001ada0: 6772 6f75 705f 5f6d 6f64 756c 655f 5f74  group__module__t\n+0001adb0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n+0001adc0: 732e 7868 746d 6c22 2074 6172 6765 743d  s.xhtml\" target=\n+0001add0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+0001ade0: 6c65 3d22 7472 616a 6563 746f 7279 616e  le=\"trajectoryan\n+0001adf0: 616c 7973 6973 223e 0a3c 656c 6c69 7073  alysis\">.<ellips\n+0001ae00: 6520 6669 6c6c 3d22 2366 6663 6363 6322  e fill=\"#ffcccc\"\n+0001ae10: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+0001ae20: 6378 3d22 3132 3237 2220 6379 3d22 2d39  cx=\"1227\" cy=\"-9\n+0001ae30: 3039 2e36 3222 2072 783d 2236 352e 3131  09.62\" rx=\"65.11\n+0001ae40: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+0001ae50: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+0001ae60: 3d22 6d69 6464 6c65 2220 783d 2231 3232  =\"middle\" x=\"122\n+0001ae70: 3722 2079 3d22 2d39 3037 2e31 3222 2066  7\" y=\"-907.12\" f\n+0001ae80: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+0001ae90: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+0001aea0: 2231 302e 3030 223e 7472 616a 6563 746f  \"10.00\">trajecto\n+0001aeb0: 7279 616e 616c 7973 6973 3c2f 7465 7874  ryanalysis</text\n+0001aec0: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n+0001aed0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001aee0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+0001aef0: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+0001af00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001af10: 726f 6d61 6373 5f73 7461 7469 7374 6963  romacs_statistic\n+0001af20: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+0001af30: 6531 3931 2220 636c 6173 733d 2265 6467  e191\" class=\"edg\n+0001af40: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001af50: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n+0001af60: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n+0001af70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001af80: 7372 635f 6772 6f6d 6163 735f 7374 6174  src_gromacs_stat\n+0001af90: 6973 7469 6373 3c2f 7469 746c 653e 0a3c  istics</title>.<\n+0001afa0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001afb0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0001afc0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0001afd0: 6179 3d22 352c 3222 2064 3d22 4d31 3236  ay=\"5,2\" d=\"M126\n+0001afe0: 392e 3037 2c2d 3839 392e 3343 3133 3230  9.07,-899.3C1320\n+0001aff0: 2e39 372c 2d38 3837 2e38 3120 3134 3038  .97,-887.81 1408\n+0001b000: 2e36 392c 2d38 3638 2e34 2031 3436 302e  .69,-868.4 1460.\n+0001b010: 3339 2c2d 3835 362e 3936 222f 3e0a 3c70  39,-856.96\"/>.<p\n+0001b020: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0001b030: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0001b040: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+0001b050: 3436 312e 3232 2c2d 3836 302e 3336 2031  461.22,-860.36 1\n+0001b060: 3437 302e 3233 2c2d 3835 342e 3738 2031  470.23,-854.78 1\n+0001b070: 3435 392e 3731 2c2d 3835 332e 3532 2031  459.71,-853.52 1\n+0001b080: 3436 312e 3232 2c2d 3836 302e 3336 222f  461.22,-860.36\"/\n+0001b090: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001b0a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001b0b0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n+0001b0c0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001b0d0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6f  _src_gromacs_coo\n+0001b0e0: 7264 696e 6174 6569 6f20 2d2d 3e0a 3c67  rdinateio -->.<g\n+0001b0f0: 2069 643d 2265 6467 6531 3930 2220 636c   id=\"edge190\" cl\n+0001b100: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001b110: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001b120: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+0001b130: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n+0001b140: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001b150: 6163 735f 636f 6f72 6469 6e61 7465 696f  acs_coordinateio\n+0001b160: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001b170: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001b180: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0001b190: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+0001b1a0: 3222 2064 3d22 4d31 3235 312e 3338 2c2d  2\" d=\"M1251.38,-\n+0001b1b0: 3839 372e 3032 4331 3237 312e 3639 2c2d  897.02C1271.69,-\n+0001b1c0: 3838 372e 3337 2031 3330 302e 3737 2c2d  887.37 1300.77,-\n+0001b1d0: 3837 332e 3533 2031 3332 322e 3936 2c2d  873.53 1322.96,-\n+0001b1e0: 3836 322e 3938 222f 3e0a 3c70 6f6c 7967  862.98\"/>.<polyg\n+0001b1f0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0001b200: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001b210: 6322 2070 6f69 6e74 733d 2231 3332 342e  c\" points=\"1324.\n+0001b220: 3438 2c2d 3836 362e 3134 2031 3333 322e  48,-866.14 1332.\n+0001b230: 3031 2c2d 3835 382e 3638 2031 3332 312e  01,-858.68 1321.\n+0001b240: 3437 2c2d 3835 392e 3831 2031 3332 342e  47,-859.81 1324.\n+0001b250: 3438 2c2d 3836 362e 3134 222f 3e0a 3c2f  48,-866.14\"/>.</\n+0001b260: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001b270: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+0001b280: 6374 6f72 7961 6e61 6c79 7369 7326 2334  ctoryanalysis&#4\n+0001b290: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001b2a0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001b2b0: 726f 6365 7373 202d 2d3e 0a3c 6720 6964  rocess -->.<g id\n+0001b2c0: 3d22 6564 6765 3139 3422 2063 6c61 7373  =\"edge194\" class\n+0001b2d0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001b2e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001b2f0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n+0001b300: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+0001b310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001b320: 5f67 6d78 7072 6570 726f 6365 7373 3c2f  _gmxpreprocess</\n+0001b330: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001b340: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001b350: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+0001b360: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0001b370: 2064 3d22 4d31 3238 322e 3637 2c2d 3931   d=\"M1282.67,-91\n+0001b380: 362e 3639 4331 3432 382e 3035 2c2d 3933  6.69C1428.05,-93\n+0001b390: 332e 3820 3138 3133 2e31 322c 2d39 3837  3.8 1813.12,-987\n+0001b3a0: 2e36 3220 3138 3838 2c2d 3130 3834 2e37  .62 1888,-1084.7\n+0001b3b0: 3920 3139 3031 2e33 332c 2d31 3130 322e  9 1901.33,-1102.\n+0001b3c0: 3039 2031 3836 362e 3337 2c2d 3131 3632  09 1866.37,-1162\n+0001b3d0: 2e37 3320 3138 3438 2c2d 3131 3734 2e35  .73 1848,-1174.5\n+0001b3e0: 3320 3138 3032 2e35 312c 2d31 3230 332e  3 1802.51,-1203.\n+0001b3f0: 3734 2031 3635 332e 3732 2c2d 3132 3135  74 1653.72,-1215\n+0001b400: 2e36 3920 3135 3635 2e34 362c 2d31 3232  .69 1565.46,-122\n+0001b410: 302e 3322 2f3e 0a3c 706f 6c79 676f 6e20  0.3\"/>.<polygon \n+0001b420: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+0001b430: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+0001b440: 706f 696e 7473 3d22 3135 3635 2e30 382c  points=\"1565.08,\n+0001b450: 2d31 3231 362e 3831 2031 3535 352e 3237  -1216.81 1555.27\n+0001b460: 2c2d 3132 3230 2e38 3120 3135 3635 2e34  ,-1220.81 1565.4\n+0001b470: 342c 2d31 3232 332e 3820 3135 3635 2e30  4,-1223.8 1565.0\n+0001b480: 382c 2d31 3231 362e 3831 222f 3e0a 3c2f  8,-1216.81\"/>.</\n+0001b490: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001b4a0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+0001b4b0: 6374 6f72 7961 6e61 6c79 7369 7326 2334  ctoryanalysis&#4\n+0001b4c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001b4d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n+0001b4e0: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22  line -->.<g id=\"\n+0001b4f0: 6564 6765 3138 3722 2063 6c61 7373 3d22  edge187\" class=\"\n+0001b500: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001b510: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001b520: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79  _trajectoryanaly\n+0001b530: 7369 7326 2334 353b 2667 743b 6d6f 6475  sis&#45;&gt;modu\n+0001b540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0001b550: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c  ommandline</titl\n+0001b560: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001b570: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0001b580: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0001b590: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001b5a0: 4d31 3237 382e 3932 2c2d 3930 312e 3531  M1278.92,-901.51\n+0001b5b0: 4331 3336 332e 3633 2c2d 3838 392e 3933  C1363.63,-889.93\n+0001b5c0: 2031 3533 302e 3738 2c2d 3836 372e 3036   1530.78,-867.06\n+0001b5d0: 2031 3631 372e 3238 2c2d 3835 352e 3233   1617.28,-855.23\n+0001b5e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001b5f0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0001b600: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0001b610: 6e74 733d 2231 3631 372e 3938 2c2d 3835  nts=\"1617.98,-85\n+0001b620: 382e 3637 2031 3632 372e 3431 2c2d 3835  8.67 1627.41,-85\n+0001b630: 332e 3834 2031 3631 372e 3033 2c2d 3835  3.84 1617.03,-85\n+0001b640: 312e 3733 2031 3631 372e 3938 2c2d 3835  1.73 1617.98,-85\n+0001b650: 382e 3637 222f 3e0a 3c2f 673e 0a3c 212d  8.67\"/>.</g>.<!-\n+0001b660: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001b670: 6d61 6373 5f61 6e61 6c79 7369 7364 6174  macs_analysisdat\n+0001b680: 6120 2d2d 3e0a 3c67 2069 643d 226e 6f64  a -->.<g id=\"nod\n+0001b690: 6533 3422 2063 6c61 7373 3d22 6e6f 6465  e34\" class=\"node\n+0001b6a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0001b6b0: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61  _src_gromacs_ana\n+0001b6c0: 6c79 7369 7364 6174 613c 2f74 6974 6c65  lysisdata</title\n+0001b6d0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533  >.<g id=\"a_node3\n+0001b6e0: 3422 3e3c 6120 786c 696e 6b3a 6872 6566  4\"><a xlink:href\n+0001b6f0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+0001b700: 5f61 6e61 6c79 7369 7364 6174 612e 7868  _analysisdata.xh\n+0001b710: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n+0001b720: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n+0001b730: 616e 616c 7973 6973 6461 7461 223e 0a3c  analysisdata\">.<\n+0001b740: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n+0001b750: 6663 6363 6322 2073 7472 6f6b 653d 2262  fcccc\" stroke=\"b\n+0001b760: 6c61 636b 2220 6378 3d22 3132 3338 2220  lack\" cx=\"1238\" \n+0001b770: 6379 3d22 2d38 3436 2e37 3522 2072 783d  cy=\"-846.75\" rx=\n+0001b780: 2235 302e 3431 2220 7279 3d22 3133 2e33  \"50.41\" ry=\"13.3\n+0001b790: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+0001b7a0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+0001b7b0: 783d 2231 3233 3822 2079 3d22 2d38 3434  x=\"1238\" y=\"-844\n+0001b7c0: 2e32 3522 2066 6f6e 742d 6661 6d69 6c79  .25\" font-family\n+0001b7d0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+0001b7e0: 2d73 697a 653d 2231 302e 3030 223e 616e  -size=\"10.00\">an\n+0001b7f0: 616c 7973 6973 6461 7461 3c2f 7465 7874  alysisdata</text\n+0001b800: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n+0001b810: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001b820: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+0001b830: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+0001b840: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001b850: 726f 6d61 6373 5f61 6e61 6c79 7369 7364  romacs_analysisd\n+0001b860: 6174 6120 2d2d 3e0a 3c67 2069 643d 2265  ata -->.<g id=\"e\n+0001b870: 6467 6531 3838 2220 636c 6173 733d 2265  dge188\" class=\"e\n+0001b880: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001b890: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001b8a0: 7472 616a 6563 746f 7279 616e 616c 7973  trajectoryanalys\n+0001b8b0: 6973 2623 3435 3b26 6774 3b6d 6f64 756c  is&#45;&gt;modul\n+0001b8c0: 655f 7372 635f 6772 6f6d 6163 735f 616e  e_src_gromacs_an\n+0001b8d0: 616c 7973 6973 6461 7461 3c2f 7469 746c  alysisdata</titl\n+0001b8e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001b8f0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0001b900: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0001b910: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001b920: 4d31 3232 392e 3238 2c2d 3839 3643 3132  M1229.28,-896C12\n+0001b930: 3330 2e36 322c 2d38 3838 2e35 3820 3132  30.62,-888.58 12\n+0001b940: 3332 2e33 362c 2d38 3738 2e39 3620 3132  32.36,-878.96 12\n+0001b950: 3333 2e39 332c 2d38 3730 2e32 3722 2f3e  33.93,-870.27\"/>\n+0001b960: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001b970: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+0001b980: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+0001b990: 3d22 3132 3337 2e33 392c 2d38 3730 2e38  =\"1237.39,-870.8\n+0001b9a0: 2031 3233 352e 3732 2c2d 3836 302e 3334   1235.72,-860.34\n+0001b9b0: 2031 3233 302e 352c 2d38 3639 2e35 3620   1230.5,-869.56 \n+0001b9c0: 3132 3337 2e33 392c 2d38 3730 2e38 222f  1237.39,-870.8\"/\n+0001b9d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001b9e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001b9f0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n+0001ba00: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001ba10: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001ba20: 616e 6120 2d2d 3e0a 3c67 2069 643d 2265  ana -->.<g id=\"e\n+0001ba30: 6467 6531 3933 2220 636c 6173 733d 2265  dge193\" class=\"e\n+0001ba40: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001ba50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001ba60: 7472 616a 6563 746f 7279 616e 616c 7973  trajectoryanalys\n+0001ba70: 6973 2623 3435 3b26 6774 3b6d 6f64 756c  is&#45;&gt;modul\n+0001ba80: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001ba90: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061  xana</title>.<pa\n+0001baa0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001bab0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+0001bac0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0001bad0: 3d22 352c 3222 2064 3d22 4d31 3232 312e  =\"5,2\" d=\"M1221.\n+0001bae0: 3539 2c2d 3932 332e 3431 4331 3230 372e  59,-923.41C1207.\n+0001baf0: 3731 2c2d 3935 382e 3435 2031 3137 352e  71,-958.45 1175.\n+0001bb00: 3138 2c2d 3130 3537 2e30 3220 3132 3233  18,-1057.02 1223\n+0001bb10: 2c2d 3131 3131 2e36 3620 3132 3433 2e36  ,-1111.66 1243.6\n+0001bb20: 332c 2d31 3133 352e 3234 2031 3434 382e  3,-1135.24 1448.\n+0001bb30: 3136 2c2d 3131 3531 2e32 3820 3135 3430  16,-1151.28 1540\n+0001bb40: 2e33 352c 2d31 3135 372e 3337 222f 3e0a  .35,-1157.37\"/>.\n+0001bb50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0001bb60: 3263 6363 3238 2220 7374 726f 6b65 3d22  2ccc28\" stroke=\"\n+0001bb70: 2332 6363 6332 3822 2070 6f69 6e74 733d  #2ccc28\" points=\n+0001bb80: 2231 3534 302e 3238 2c2d 3131 3630 2e38  \"1540.28,-1160.8\n+0001bb90: 3720 3135 3530 2e34 392c 2d31 3135 382e  7 1550.49,-1158.\n+0001bba0: 3033 2031 3534 302e 3734 2c2d 3131 3533  03 1540.74,-1153\n+0001bbb0: 2e38 3920 3135 3430 2e32 382c 2d31 3136  .89 1540.28,-116\n+0001bbc0: 302e 3837 222f 3e0a 3c2f 673e 0a3c 212d  0.87\"/>.</g>.<!-\n+0001bbd0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001bbe0: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n+0001bbf0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n+0001bc00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001bc10: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67  cs_fileio -->.<g\n+0001bc20: 2069 643d 2265 6467 6531 3839 2220 636c   id=\"edge189\" cl\n+0001bc30: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001bc40: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001bc50: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+0001bc60: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n+0001bc70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001bc80: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n+0001bc90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001bca0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+0001bcb0: 6266 6266 2220 643d 224d 3132 3039 2e38  bfbf\" d=\"M1209.8\n+0001bcc0: 392c 2d38 3936 2e36 3443 3131 3930 2e31  9,-896.64C1190.1\n+0001bcd0: 342c 2d38 3831 2e33 3520 3131 3632 2e33  4,-881.35 1162.3\n+0001bce0: 372c 2d38 3534 2e33 3520 3131 3739 2c2d  7,-854.35 1179,-\n+0001bcf0: 3833 332e 3331 2031 3138 392e 352c 2d38  833.31 1189.5,-8\n+0001bd00: 3230 2e30 3320 3132 3932 2e34 342c 2d38  20.03 1292.44,-8\n+0001bd10: 3030 2e34 3820 3133 3437 2e39 352c 2d37  00.48 1347.95,-7\n+0001bd20: 3930 2e37 3822 2f3e 0a3c 706f 6c79 676f  90.78\"/>.<polygo\n+0001bd30: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+0001bd40: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0001bd50: 2220 706f 696e 7473 3d22 3133 3438 2e37  \" points=\"1348.7\n+0001bd60: 392c 2d37 3934 2e31 3820 3133 3538 2e30  9,-794.18 1358.0\n+0001bd70: 352c 2d37 3839 2e30 3320 3133 3437 2e36  5,-789.03 1347.6\n+0001bd80: 2c2d 3738 372e 3239 2031 3334 382e 3739  ,-787.29 1348.79\n+0001bd90: 2c2d 3739 342e 3138 222f 3e0a 3c2f 673e  ,-794.18\"/>.</g>\n+0001bda0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001bdb0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+0001bdc0: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+0001bdd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001bde0: 726f 6d61 6373 5f72 616e 646f 6d20 2d2d  romacs_random --\n+0001bdf0: 3e0a 3c67 2069 643d 2265 6467 6531 3932  >.<g id=\"edge192\n+0001be00: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001be10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001be20: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n+0001be30: 746f 7279 616e 616c 7973 6973 2623 3435  toryanalysis&#45\n+0001be40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001be50: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n+0001be60: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001be70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001be80: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+0001be90: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0001bea0: 3d22 4d31 3136 322e 3337 2c2d 3930 372e  =\"M1162.37,-907.\n+0001beb0: 3837 4339 3732 2e34 2c2d 3930 312e 3937  87C972.4,-901.97\n+0001bec0: 2034 3239 2c2d 3835 362e 3820 3432 392c   429,-856.8 429,\n+0001bed0: 2d35 3333 2e34 2034 3239 2c2d 3533 332e  -533.4 429,-533.\n+0001bee0: 3420 3432 392c 2d35 3333 2e34 2034 3239  4 429,-533.4 429\n+0001bef0: 2c2d 3436 382e 3533 2034 3239 2c2d 3435  ,-468.53 429,-45\n+0001bf00: 312e 3439 2036 3436 2e32 392c 2d33 3337  1.49 646.29,-337\n+0001bf10: 2e38 3920 3732 362e 3037 2c2d 3239 362e  .89 726.07,-296.\n+0001bf20: 3735 222f 3e0a 3c70 6f6c 7967 6f6e 2066  75\"/>.<polygon f\n+0001bf30: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+0001bf40: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+0001bf50: 733d 2237 3237 2e38 312c 2d32 3939 2e37  s=\"727.81,-299.7\n+0001bf60: 3920 3733 352e 312c 2d32 3932 2e31 2037  9 735.1,-292.1 7\n+0001bf70: 3234 2e36 312c 2d32 3933 2e35 3720 3732  24.61,-293.57 72\n+0001bf80: 372e 3831 2c2d 3239 392e 3739 222f 3e0a  7.81,-299.79\"/>.\n+0001bf90: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001bfa0: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n+0001bfb0: 6563 7469 6f6e 202d 2d3e 0a3c 6720 6964  ection -->.<g id\n+0001bfc0: 3d22 6e6f 6465 3331 2220 636c 6173 733d  =\"node31\" class=\n+0001bfd0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+0001bfe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001bff0: 735f 7365 6c65 6374 696f 6e3c 2f74 6974  s_selection</tit\n+0001c000: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n+0001c010: 6533 3122 3e3c 6120 786c 696e 6b3a 6872  e31\"><a xlink:hr\n+0001c020: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n+0001c030: 655f 5f73 656c 6563 7469 6f6e 2e78 6874  e__selection.xht\n+0001c040: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n+0001c050: 2220 786c 696e 6b3a 7469 746c 653d 2273  \" xlink:title=\"s\n+0001c060: 656c 6563 7469 6f6e 223e 0a3c 656c 6c69  election\">.<elli\n+0001c070: 7073 6520 6669 6c6c 3d22 2366 6663 6363  pse fill=\"#ffccc\n+0001c080: 6322 2073 7472 6f6b 653d 2262 6c61 636b  c\" stroke=\"black\n+0001c090: 2220 6378 3d22 3230 3232 2220 6379 3d22  \" cx=\"2022\" cy=\"\n+0001c0a0: 2d38 3436 2e37 3522 2072 783d 2233 392e  -846.75\" rx=\"39.\n+0001c0b0: 3722 2072 793d 2231 332e 3337 222f 3e0a  7\" ry=\"13.37\"/>.\n+0001c0c0: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n+0001c0d0: 723d 226d 6964 646c 6522 2078 3d22 3230  r=\"middle\" x=\"20\n+0001c0e0: 3232 2220 793d 222d 3834 342e 3235 2220  22\" y=\"-844.25\" \n+0001c0f0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+0001c100: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+0001c110: 3d22 3130 2e30 3022 3e73 656c 6563 7469  =\"10.00\">selecti\n+0001c120: 6f6e 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  on</text>.</a>.<\n+0001c130: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+0001c140: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001c150: 5f73 656c 6563 7469 6f6e 2623 3435 3b26  _selection&#45;&\n+0001c160: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c170: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70  omacs_onlinehelp\n+0001c180: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0001c190: 3139 3522 2063 6c61 7373 3d22 6564 6765  195\" class=\"edge\n+0001c1a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0001c1b0: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n+0001c1c0: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d  ection&#45;&gt;m\n+0001c1d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001c1e0: 735f 6f6e 6c69 6e65 6865 6c70 3c2f 7469  s_onlinehelp</ti\n+0001c1f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001c200: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001c210: 3238 3266 6363 2220 643d 224d 3230 3232  282fcc\" d=\"M2022\n+0001c220: 2c2d 3833 332e 3133 4332 3032 322c 2d38  ,-833.13C2022,-8\n+0001c230: 3235 2e37 3920 3230 3232 2c2d 3831 362e  25.79 2022,-816.\n+0001c240: 3320 3230 3232 2c2d 3830 372e 3639 222f  3 2022,-807.69\"/\n+0001c250: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001c260: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001c270: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0001c280: 733d 2232 3032 352e 352c 2d38 3037 2e34  s=\"2025.5,-807.4\n+0001c290: 3720 3230 3232 2c2d 3739 372e 3437 2032  7 2022,-797.47 2\n+0001c2a0: 3031 382e 352c 2d38 3037 2e34 3720 3230  018.5,-807.47 20\n+0001c2b0: 3235 2e35 2c2d 3830 372e 3437 222f 3e0a  25.5,-807.47\"/>.\n+0001c2c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001c2d0: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n+0001c2e0: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d  ection&#45;&gt;m\n+0001c2f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001c300: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67  s_options -->.<g\n+0001c310: 2069 643d 2265 6467 6531 3936 2220 636c   id=\"edge196\" cl\n+0001c320: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001c330: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001c340: 6f6d 6163 735f 7365 6c65 6374 696f 6e26  omacs_selection&\n+0001c350: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001c360: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n+0001c370: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468  ns</title>.<path\n+0001c380: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001c390: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001c3a0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001c3b0: 352c 3222 2064 3d22 4d32 3030 342e 3531  5,2\" d=\"M2004.51\n+0001c3c0: 2c2d 3833 342e 3438 4331 3939 322e 3737  ,-834.48C1992.77\n+0001c3d0: 2c2d 3832 352e 3835 2031 3937 382e 322c  ,-825.85 1978.2,\n+0001c3e0: 2d38 3132 2e38 3220 3139 3731 2c2d 3739  -812.82 1971,-79\n+0001c3f0: 372e 3331 2031 3934 352e 312c 2d37 3431  7.31 1945.1,-741\n+0001c400: 2e35 3120 3139 3633 2c2d 3732 302e 3635  .51 1963,-720.65\n+0001c410: 2031 3936 332c 2d36 3539 2e31 3420 3139   1963,-659.14 19\n+0001c420: 3633 2c2d 3635 392e 3134 2031 3936 332c  63,-659.14 1963,\n+0001c430: 2d36 3539 2e31 3420 3139 3633 2c2d 3539  -659.14 1963,-59\n+0001c440: 342e 3237 2031 3936 332c 2d35 3539 2e30  4.27 1963,-559.0\n+0001c450: 3620 3139 3633 2c2d 3531 382e 3231 2031  6 1963,-518.21 1\n+0001c460: 3936 332c 2d34 3933 2e33 3822 2f3e 0a3c  963,-493.38\"/>.<\n+0001c470: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+0001c480: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+0001c490: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+0001c4a0: 3139 3636 2e35 2c2d 3439 332e 3137 2031  1966.5,-493.17 1\n+0001c4b0: 3936 332c 2d34 3833 2e31 3720 3139 3539  963,-483.17 1959\n+0001c4c0: 2e35 2c2d 3439 332e 3137 2031 3936 362e  .5,-493.17 1966.\n+0001c4d0: 352c 2d34 3933 2e31 3722 2f3e 0a3c 2f67  5,-493.17\"/>.</g\n+0001c4e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0001c4f0: 635f 6772 6f6d 6163 735f 7365 6c65 6374  c_gromacs_select\n+0001c500: 696f 6e26 2334 353b 2667 743b 6d6f 6475  ion&#45;&gt;modu\n+0001c510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n+0001c520: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n+0001c530: 2265 6467 6531 3937 2220 636c 6173 733d  \"edge197\" class=\n+0001c540: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001c550: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001c560: 735f 7365 6c65 6374 696f 6e26 2334 353b  s_selection&#45;\n+0001c570: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001c580: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74  romacs_random</t\n+0001c590: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0001c5a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0001c5b0: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n+0001c5c0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0001c5d0: 643d 224d 3230 3536 2e33 352c 2d38 3430  d=\"M2056.35,-840\n+0001c5e0: 2e30 3443 3231 3339 2e31 362c 2d38 3235  .04C2139.16,-825\n+0001c5f0: 2e33 3320 3233 3433 2c2d 3738 322e 3933  .33 2343,-782.93\n+0001c600: 2032 3334 332c 2d37 3232 2e30 3120 3233   2343,-722.01 23\n+0001c610: 3433 2c2d 3732 322e 3031 2032 3334 332c  43,-722.01 2343,\n+0001c620: 2d37 3232 2e30 3120 3233 3433 2c2d 3436  -722.01 2343,-46\n+0001c630: 382e 3533 2032 3334 332c 2d33 3938 2e30  8.53 2343,-398.0\n+0001c640: 3120 3233 3239 2e37 372c 2d33 3538 2e32  1 2329.77,-358.2\n+0001c650: 3420 3232 3635 2c2d 3333 302e 3335 2032  4 2265,-330.35 2\n+0001c660: 3230 312e 3034 2c2d 3330 322e 3831 2031  201.04,-302.81 1\n+0001c670: 3038 312e 3539 2c2d 3239 372e 3033 2031  081.59,-297.03 1\n+0001c680: 3031 322c 2d32 3934 2e33 3520 3933 372e  012,-294.35 937.\n+0001c690: 3235 2c2d 3239 312e 3437 2038 3530 2e33  25,-291.47 850.3\n+0001c6a0: 322c 2d32 3837 2e30 3420 3739 392e 3133  2,-287.04 799.13\n+0001c6b0: 2c2d 3238 342e 3331 222f 3e0a 3c70 6f6c  ,-284.31\"/>.<pol\n+0001c6c0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n+0001c6d0: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n+0001c6e0: 6332 3822 2070 6f69 6e74 733d 2237 3939  c28\" points=\"799\n+0001c6f0: 2e32 352c 2d32 3830 2e38 3220 3738 392e  .25,-280.82 789.\n+0001c700: 3038 2c2d 3238 332e 3738 2037 3938 2e38  08,-283.78 798.8\n+0001c710: 382c 2d32 3837 2e38 3120 3739 392e 3235  8,-287.81 799.25\n+0001c720: 2c2d 3238 302e 3832 222f 3e0a 3c2f 673e  ,-280.82\"/>.</g>\n+0001c730: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001c740: 5f67 726f 6d61 6373 5f74 6f6f 6c73 202d  _gromacs_tools -\n+0001c750: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3332  ->.<g id=\"node32\n+0001c760: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+0001c770: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001c780: 635f 6772 6f6d 6163 735f 746f 6f6c 733c  c_gromacs_tools<\n+0001c790: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+0001c7a0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+0001c7b0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+0001c7c0: 783d 2231 3132 3322 2063 793d 222d 3132  x=\"1123\" cy=\"-12\n+0001c7d0: 3836 2e38 3422 2072 783d 2232 3722 2072  86.84\" rx=\"27\" r\n+0001c7e0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+0001c7f0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+0001c800: 6964 646c 6522 2078 3d22 3131 3233 2220  iddle\" x=\"1123\" \n+0001c810: 793d 222d 3132 3834 2e33 3422 2066 6f6e  y=\"-1284.34\" fon\n+0001c820: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+0001c830: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+0001c840: 302e 3030 223e 746f 6f6c 733c 2f74 6578  0.00\">tools</tex\n+0001c850: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n+0001c860: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001c870: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n+0001c880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001c890: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n+0001c8a0: 6964 3d22 6564 6765 3230 3222 2063 6c61  id=\"edge202\" cla\n+0001c8b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001c8c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001c8d0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+0001c8e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c8f0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74  omacs_mdtypes</t\n+0001c900: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0001c910: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0001c920: 2362 6662 6662 6622 2064 3d22 4d31 3039  #bfbfbf\" d=\"M109\n+0001c930: 372e 3532 2c2d 3132 3832 2e32 4331 3032  7.52,-1282.2C102\n+0001c940: 302e 3438 2c2d 3132 3730 2e36 3320 3739  0.48,-1270.63 79\n+0001c950: 322e 372c 2d31 3233 322e 3035 2037 3530  2.7,-1232.05 750\n+0001c960: 2c2d 3131 3734 2e35 3320 3733 362e 382c  ,-1174.53 736.8,\n+0001c970: 2d31 3135 362e 3735 2037 3532 2e35 372c  -1156.75 752.57,\n+0001c980: 2d31 3133 332e 3837 2037 3637 2e38 332c  -1133.87 767.83,\n+0001c990: 2d31 3131 382e 3032 222f 3e0a 3c70 6f6c  -1118.02\"/>.<pol\n+0001c9a0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+0001c9b0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+0001c9c0: 6662 6622 2070 6f69 6e74 733d 2237 3730  fbf\" points=\"770\n+0001c9d0: 2e34 352c 2d31 3132 302e 3336 2037 3735  .45,-1120.36 775\n+0001c9e0: 2e31 342c 2d31 3131 302e 3836 2037 3635  .14,-1110.86 765\n+0001c9f0: 2e35 352c 2d31 3131 352e 3335 2037 3730  .55,-1115.35 770\n+0001ca00: 2e34 352c 2d31 3132 302e 3336 222f 3e0a  .45,-1120.36\"/>.\n+0001ca10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001ca20: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n+0001ca30: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+0001ca40: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001ca50: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n+0001ca60: 6564 6765 3230 3922 2063 6c61 7373 3d22  edge209\" class=\"\n+0001ca70: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001ca80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001ca90: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001caa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001cab0: 735f 676d 786c 6962 3c2f 7469 746c 653e  s_gmxlib</title>\n+0001cac0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0001cad0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+0001cae0: 6266 2220 643d 224d 3130 3939 2e37 332c  bf\" d=\"M1099.73,\n+0001caf0: 2d31 3237 392e 3637 4331 3035 352e 3336  -1279.67C1055.36\n+0001cb00: 2c2d 3132 3636 2e33 3420 3936 332c 2d31  ,-1266.34 963,-1\n+0001cb10: 3233 302e 3420 3936 332c 2d31 3136 322e  230.4 963,-1162.\n+0001cb20: 3120 3936 332c 2d31 3136 322e 3120 3936  1 963,-1162.1 96\n+0001cb30: 332c 2d31 3136 322e 3120 3936 332c 2d31  3,-1162.1 963,-1\n+0001cb40: 3033 342e 3336 2039 3633 2c2d 3937 392e  034.36 963,-979.\n+0001cb50: 3835 2039 3032 2e33 322c 2d39 3432 2e32  85 902.32,-942.2\n+0001cb60: 3220 3836 332e 3535 2c2d 3932 332e 3734  2 863.55,-923.74\n+0001cb70: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001cb80: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0001cb90: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0001cba0: 6e74 733d 2238 3634 2e37 372c 2d39 3230  nts=\"864.77,-920\n+0001cbb0: 2e34 3520 3835 342e 3232 2c2d 3931 392e  .45 854.22,-919.\n+0001cbc0: 3436 2038 3631 2e38 352c 2d39 3236 2e38  46 861.85,-926.8\n+0001cbd0: 3120 3836 342e 3737 2c2d 3932 302e 3435  1 864.77,-920.45\n+0001cbe0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001cbf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001cc00: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001cc10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001cc20: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069  s_mdrun -->.<g i\n+0001cc30: 643d 2265 6467 6532 3031 2220 636c 6173  d=\"edge201\" clas\n+0001cc40: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001cc50: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001cc60: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n+0001cc70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001cc80: 6d61 6373 5f6d 6472 756e 3c2f 7469 746c  macs_mdrun</titl\n+0001cc90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001cca0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0001ccb0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0001ccc0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001ccd0: 4d31 3131 362e 3231 2c2d 3132 3733 2e36  M1116.21,-1273.6\n+0001cce0: 3143 3131 3034 2e38 2c2d 3132 3531 2e38  1C1104.8,-1251.8\n+0001ccf0: 3820 3130 3833 2c2d 3132 3034 2e37 3720  8 1083,-1204.77 \n+0001cd00: 3130 3833 2c2d 3131 3632 2e31 2031 3038  1083,-1162.1 108\n+0001cd10: 332c 2d31 3136 322e 3120 3130 3833 2c2d  3,-1162.1 1083,-\n+0001cd20: 3131 3632 2e31 2031 3038 332c 2d31 3033  1162.1 1083,-103\n+0001cd30: 342e 3336 2031 3038 332c 2d39 3732 2e34  4.36 1083,-972.4\n+0001cd40: 3320 3130 3835 2e38 352c 2d39 3536 2e32  3 1085.85,-956.2\n+0001cd50: 3320 3131 3031 2c2d 3839 362e 3138 2031  3 1101,-896.18 1\n+0001cd60: 3132 382e 3834 2c2d 3738 352e 3832 2031  128.84,-785.82 1\n+0001cd70: 3137 332e 3035 2c2d 3737 332e 3334 2031  173.05,-773.34 1\n+0001cd80: 3232 342c 2d36 3731 2e35 3720 3132 3332  224,-671.57 1232\n+0001cd90: 2e37 2c2d 3635 342e 3139 2031 3234 302e  .7,-654.19 1240.\n+0001cda0: 3735 2c2d 3633 332e 3634 2031 3234 362e  75,-633.64 1246.\n+0001cdb0: 3331 2c2d 3631 382e 3422 2f3e 0a3c 706f  31,-618.4\"/>.<po\n+0001cdc0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+0001cdd0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+0001cde0: 3266 6363 2220 706f 696e 7473 3d22 3132  2fcc\" points=\"12\n+0001cdf0: 3439 2e36 372c 2d36 3139 2e34 2031 3234  49.67,-619.4 124\n+0001ce00: 392e 3734 2c2d 3630 382e 3831 2031 3234  9.74,-608.81 124\n+0001ce10: 332e 3038 2c2d 3631 372e 3035 2031 3234  3.08,-617.05 124\n+0001ce20: 392e 3637 2c2d 3631 392e 3422 2f3e 0a3c  9.67,-619.4\"/>.<\n+0001ce30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001ce40: 7372 635f 6772 6f6d 6163 735f 746f 6f6c  src_gromacs_tool\n+0001ce50: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001ce60: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+0001ce70: 7465 645f 666f 7263 6573 202d 2d3e 0a3c  ted_forces -->.<\n+0001ce80: 6720 6964 3d22 6564 6765 3230 3422 2063  g id=\"edge204\" c\n+0001ce90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0001cea0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0001ceb0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n+0001cec0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001ced0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+0001cee0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70  orces</title>.<p\n+0001cef0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001cf00: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+0001cf10: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+0001cf20: 793d 2235 2c32 2220 643d 224d 3130 3936  y=\"5,2\" d=\"M1096\n+0001cf30: 2e31 352c 2d31 3238 342e 3436 4339 3436  .15,-1284.46C946\n+0001cf40: 2e38 342c 2d31 3237 362e 3831 2032 3235  .84,-1276.81 225\n+0001cf50: 2e30 392c 2d31 3233 392e 3735 2032 3134  .09,-1239.75 214\n+0001cf60: 2c2d 3132 3337 2e34 2031 3232 2e33 312c  ,-1237.4 122.31,\n+0001cf70: 2d31 3231 372e 3934 2031 372c 2d31 3235  -1217.94 17,-125\n+0001cf80: 352e 3833 2031 372c 2d31 3136 322e 3120  5.83 17,-1162.1 \n+0001cf90: 3137 2c2d 3131 3632 2e31 2031 372c 2d31  17,-1162.1 17,-1\n+0001cfa0: 3136 322e 3120 3137 2c2d 3834 352e 3735  162.1 17,-845.75\n+0001cfb0: 2031 372c 2d37 3632 2e33 3320 3337 2c2d   17,-762.33 37,-\n+0001cfc0: 3734 322e 3535 2033 372c 2d36 3539 2e31  742.55 37,-659.1\n+0001cfd0: 3420 3337 2c2d 3635 392e 3134 2033 372c  4 37,-659.14 37,\n+0001cfe0: 2d36 3539 2e31 3420 3337 2c2d 3237 392e  -659.14 37,-279.\n+0001cff0: 3932 2033 372c 2d32 3435 2e34 2033 312e  92 37,-245.4 31.\n+0001d000: 3533 2c2d 3232 382e 3936 2035 362c 2d32  53,-228.96 56,-2\n+0001d010: 3034 2e36 3120 3735 2e37 362c 2d31 3834  04.61 75.76,-184\n+0001d020: 2e39 3520 3134 362e 3632 2c2d 3137 312e  .95 146.62,-171.\n+0001d030: 3032 2031 3937 2e34 352c 2d31 3633 2e32  02 197.45,-163.2\n+0001d040: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n+0001d050: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0001d060: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0001d070: 696e 7473 3d22 3139 382e 3237 2c2d 3136  ints=\"198.27,-16\n+0001d080: 362e 3731 2032 3037 2e36 352c 2d31 3631  6.71 207.65,-161\n+0001d090: 2e37 3920 3139 372e 3235 2c2d 3135 392e  .79 197.25,-159.\n+0001d0a0: 3739 2031 3938 2e32 372c 2d31 3636 2e37  79 198.27,-166.7\n+0001d0b0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+0001d0c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d0d0: 735f 746f 6f6c 7326 2334 353b 2667 743b  s_tools&#45;&gt;\n+0001d0e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001d0f0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n+0001d100: 6964 3d22 6564 6765 3230 3722 2063 6c61  id=\"edge207\" cla\n+0001d110: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001d120: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001d130: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+0001d140: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001d150: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n+0001d160: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001d170: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0001d180: 6662 6662 6622 2064 3d22 4d31 3134 392e  fbfbf\" d=\"M1149.\n+0001d190: 3835 2c2d 3132 3834 2e34 3843 3132 3837  85,-1284.48C1287\n+0001d1a0: 2c2d 3132 3737 2e31 3820 3139 3033 2c2d  ,-1277.18 1903,-\n+0001d1b0: 3132 3430 2e30 3820 3139 3033 2c2d 3131  1240.08 1903,-11\n+0001d1c0: 3632 2e31 2031 3930 332c 2d31 3136 322e  62.1 1903,-1162.\n+0001d1d0: 3120 3139 3033 2c2d 3131 3632 2e31 2031  1 1903,-1162.1 1\n+0001d1e0: 3930 332c 2d39 3038 2e36 3220 3139 3033  903,-908.62 1903\n+0001d1f0: 2c2d 3834 352e 3833 2031 3835 322e 3139  ,-845.83 1852.19\n+0001d200: 2c2d 3834 382e 3632 2031 3831 362c 2d37  ,-848.62 1816,-7\n+0001d210: 3937 2e33 3120 3137 3837 2e31 382c 2d37  97.31 1787.18,-7\n+0001d220: 3536 2e34 3520 3136 3538 2e37 352c 2d34  56.45 1658.75,-4\n+0001d230: 3232 2e32 2031 3631 382c 2d33 3933 2e32  22.2 1618,-393.2\n+0001d240: 3220 3135 3833 2e31 352c 2d33 3638 2e34  2 1583.15,-368.4\n+0001d250: 3420 3134 3630 2e37 382c 2d33 3533 2e39  4 1460.78,-353.9\n+0001d260: 3620 3133 3937 2e39 312c 2d33 3438 222f  6 1397.91,-348\"/\n+0001d270: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001d280: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+0001d290: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+0001d2a0: 733d 2231 3339 372e 392c 2d33 3434 2e34  s=\"1397.9,-344.4\n+0001d2b0: 3920 3133 3837 2e36 322c 2d33 3437 2e30  9 1387.62,-347.0\n+0001d2c0: 3520 3133 3937 2e32 362c 2d33 3531 2e34  5 1397.26,-351.4\n+0001d2d0: 3620 3133 3937 2e39 2c2d 3334 342e 3439  6 1397.9,-344.49\n+0001d2e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001d2f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001d300: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001d310: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d320: 735f 6666 7420 2d2d 3e0a 3c67 2069 643d  s_fft -->.<g id=\n+0001d330: 2265 6467 6532 3036 2220 636c 6173 733d  \"edge206\" class=\n+0001d340: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001d350: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d360: 735f 746f 6f6c 7326 2334 353b 2667 743b  s_tools&#45;&gt;\n+0001d370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001d380: 6373 5f66 6674 3c2f 7469 746c 653e 0a3c  cs_fft</title>.<\n+0001d390: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001d3a0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0001d3b0: 2220 643d 224d 3131 3530 2e30 342c 2d31  \" d=\"M1150.04,-1\n+0001d3c0: 3238 352e 3438 4331 3331 382e 3633 2c2d  285.48C1318.63,-\n+0001d3d0: 3132 3833 2e31 3920 3232 3230 2e30 322c  1283.19 2220.02,\n+0001d3e0: 2d31 3236 392e 3435 2032 3236 382c 2d31  -1269.45 2268,-1\n+0001d3f0: 3233 372e 3420 3232 3938 2e36 392c 2d31  237.4 2298.69,-1\n+0001d400: 3231 362e 3920 3233 3033 2c2d 3131 3939  216.9 2303,-1199\n+0001d410: 2032 3330 332c 2d31 3136 322e 3120 3233   2303,-1162.1 23\n+0001d420: 3033 2c2d 3131 3632 2e31 2032 3330 332c  03,-1162.1 2303,\n+0001d430: 2d31 3136 322e 3120 3233 3033 2c2d 3937  -1162.1 2303,-97\n+0001d440: 312e 3439 2032 3330 332c 2d38 3630 2e32  1.49 2303,-860.2\n+0001d450: 3520 3233 3233 2c2d 3833 332e 3234 2032  5 2323,-833.24 2\n+0001d460: 3332 332c 2d37 3232 2e30 3120 3233 3233  323,-722.01 2323\n+0001d470: 2c2d 3732 322e 3031 2032 3332 332c 2d37  ,-722.01 2323,-7\n+0001d480: 3232 2e30 3120 3233 3233 2c2d 3436 382e  22.01 2323,-468.\n+0001d490: 3533 2032 3332 332c 2d34 3232 2e30 3720  53 2323,-422.07 \n+0001d4a0: 3232 3830 2e34 372c 2d33 3832 2e31 3320  2280.47,-382.13 \n+0001d4b0: 3232 3532 2e36 332c 2d33 3630 2e39 3522  2252.63,-360.95\"\n+0001d4c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001d4d0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+0001d4e0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+0001d4f0: 7473 3d22 3232 3534 2e36 352c 2d33 3538  ts=\"2254.65,-358\n+0001d500: 2e31 2032 3234 342e 3532 2c2d 3335 3520  .1 2244.52,-355 \n+0001d510: 3232 3530 2e35 312c 2d33 3633 2e37 3420  2250.51,-363.74 \n+0001d520: 3232 3534 2e36 352c 2d33 3538 2e31 222f  2254.65,-358.1\"/\n+0001d530: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001d540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001d550: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n+0001d560: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001d570: 676d 7870 7265 7072 6f63 6573 7320 2d2d  gmxpreprocess --\n+0001d580: 3e0a 3c67 2069 643d 2265 6467 6532 3030  >.<g id=\"edge200\n+0001d590: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001d5a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001d5b0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326  c_gromacs_tools&\n+0001d5c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001d5d0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+0001d5e0: 6570 726f 6365 7373 3c2f 7469 746c 653e  eprocess</title>\n+0001d5f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0001d600: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+0001d610: 6266 2220 643d 224d 3131 3438 2e31 392c  bf\" d=\"M1148.19,\n+0001d620: 2d31 3238 312e 3735 4331 3230 372e 3933  -1281.75C1207.93\n+0001d630: 2c2d 3132 3732 2e30 3520 3133 3539 2e34  ,-1272.05 1359.4\n+0001d640: 312c 2d31 3234 372e 3436 2031 3434 322e  1,-1247.46 1442.\n+0001d650: 3038 2c2d 3132 3334 2e30 3422 2f3e 0a3c  08,-1234.04\"/>.<\n+0001d660: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001d670: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001d680: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001d690: 3134 3432 2e37 342c 2d31 3233 372e 3438  1442.74,-1237.48\n+0001d6a0: 2031 3435 322e 3035 2c2d 3132 3332 2e34   1452.05,-1232.4\n+0001d6b0: 3220 3134 3431 2e36 322c 2d31 3233 302e  2 1441.62,-1230.\n+0001d6c0: 3537 2031 3434 322e 3734 2c2d 3132 3337  57 1442.74,-1237\n+0001d6d0: 2e34 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .48\"/>.</g>.<!--\n+0001d6e0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0001d6f0: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n+0001d700: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001d710: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n+0001d720: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0001d730: 3139 3822 2063 6c61 7373 3d22 6564 6765  198\" class=\"edge\n+0001d740: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0001d750: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n+0001d760: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+0001d770: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+0001d780: 6d6d 616e 646c 696e 653c 2f74 6974 6c65  mmandline</title\n+0001d790: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001d7a0: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n+0001d7b0: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n+0001d7c0: 7261 793d 2235 2c32 2220 643d 224d 3131  ray=\"5,2\" d=\"M11\n+0001d7d0: 3335 2e39 362c 2d31 3237 342e 3632 4331  35.96,-1274.62C1\n+0001d7e0: 3134 352e 3837 2c2d 3132 3635 2e34 3520  145.87,-1265.45 \n+0001d7f0: 3131 3539 2e32 382c 2d31 3235 312e 3731  1159.28,-1251.71\n+0001d800: 2031 3136 382c 2d31 3233 372e 3420 3132   1168,-1237.4 12\n+0001d810: 3035 2e35 322c 2d31 3137 352e 3833 2031  05.52,-1175.83 1\n+0001d820: 3137 352e 3735 2c2d 3131 3339 2e32 3420  175.75,-1139.24 \n+0001d830: 3132 3233 2c2d 3130 3834 2e37 3920 3132  1223,-1084.79 12\n+0001d840: 3234 2e38 332c 2d31 3038 322e 3638 2031  24.83,-1082.68 1\n+0001d850: 3537 362e 3532 2c2d 3839 372e 3438 2031  576.52,-897.48 1\n+0001d860: 3537 392c 2d38 3936 2e31 3820 3135 3939  579,-896.18 1599\n+0001d870: 2e37 322c 2d38 3835 2e33 2031 3632 332e  .72,-885.3 1623.\n+0001d880: 3039 2c2d 3837 332e 3133 2031 3634 312e  09,-873.13 1641.\n+0001d890: 3232 2c2d 3836 332e 3731 222f 3e0a 3c70  22,-863.71\"/>.<p\n+0001d8a0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n+0001d8b0: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n+0001d8c0: 6b22 2070 6f69 6e74 733d 2231 3634 322e  k\" points=\"1642.\n+0001d8d0: 3932 2c2d 3836 362e 3737 2031 3635 302e  92,-866.77 1650.\n+0001d8e0: 3138 2c2d 3835 392e 3035 2031 3633 392e  18,-859.05 1639.\n+0001d8f0: 3639 2c2d 3836 302e 3536 2031 3634 322e  69,-860.56 1642.\n+0001d900: 3932 2c2d 3836 362e 3737 222f 3e0a 3c2f  92,-866.77\"/>.</\n+0001d910: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001d920: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+0001d930: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001d940: 7372 635f 6772 6f6d 6163 735f 7472 616a  src_gromacs_traj\n+0001d950: 6563 746f 7279 202d 2d3e 0a3c 6720 6964  ectory -->.<g id\n+0001d960: 3d22 6564 6765 3230 3322 2063 6c61 7373  =\"edge203\" class\n+0001d970: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001d980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001d990: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n+0001d9a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001d9b0: 6163 735f 7472 616a 6563 746f 7279 3c2f  acs_trajectory</\n+0001d9c0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001d9d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001d9e0: 2223 6266 6266 6266 2220 643d 224d 3131  \"#bfbfbf\" d=\"M11\n+0001d9f0: 3439 2e39 332c 2d31 3238 352e 3237 4331  49.93,-1285.27C1\n+0001da00: 3331 322e 3133 2c2d 3132 3831 2e35 3720  312.13,-1281.57 \n+0001da10: 3231 3534 2e35 372c 2d31 3235 382e 3339  2154.57,-1258.39\n+0001da20: 2032 3232 382c 2d31 3137 342e 3533 2032   2228,-1174.53 2\n+0001da30: 3238 382e 3538 2c2d 3131 3035 2e33 3520  288.58,-1105.35 \n+0001da40: 3231 3433 2c2d 3933 372e 3537 2032 3134  2143,-937.57 214\n+0001da50: 332c 2d39 3130 2e36 3220 3231 3433 2c2d  3,-910.62 2143,-\n+0001da60: 3931 302e 3632 2032 3134 332c 2d39 3130  910.62 2143,-910\n+0001da70: 2e36 3220 3231 3433 2c2d 3635 372e 3134  .62 2143,-657.14\n+0001da80: 2032 3134 332c 2d35 3733 2e37 3220 3231   2143,-573.72 21\n+0001da90: 3633 2c2d 3535 332e 3934 2032 3136 332c  63,-553.94 2163,\n+0001daa0: 2d34 3730 2e35 3320 3231 3633 2c2d 3437  -470.53 2163,-47\n+0001dab0: 302e 3533 2032 3136 332c 2d34 3730 2e35  0.53 2163,-470.5\n+0001dac0: 3320 3231 3633 2c2d 3430 352e 3636 2032  3 2163,-405.66 2\n+0001dad0: 3136 332c 2d33 3536 2e33 3320 3231 3133  163,-356.33 2113\n+0001dae0: 2e34 332c 2d33 3138 2e30 3620 3230 3739  .43,-318.06 2079\n+0001daf0: 2e39 352c 2d32 3937 2e38 3422 2f3e 0a3c  .95,-297.84\"/>.<\n+0001db00: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001db10: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001db20: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001db30: 3230 3831 2e33 392c 2d32 3934 2e36 3320  2081.39,-294.63 \n+0001db40: 3230 3730 2e39 392c 2d32 3932 2e36 3220  2070.99,-292.62 \n+0001db50: 3230 3737 2e38 372c 2d33 3030 2e36 3820  2077.87,-300.68 \n+0001db60: 3230 3831 2e33 392c 2d32 3934 2e36 3322  2081.39,-294.63\"\n+0001db70: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001db80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001db90: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n+0001dba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001dbb0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n+0001dbc0: 643d 2265 6467 6531 3939 2220 636c 6173  d=\"edge199\" clas\n+0001dbd0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001dbe0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001dbf0: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n+0001dc00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001dc10: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n+0001dc20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001dc30: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0001dc40: 6662 6662 6622 2064 3d22 4d31 3132 322e  fbfbf\" d=\"M1122.\n+0001dc50: 3233 2c2d 3132 3733 2e30 3243 3131 3138  23,-1273.02C1118\n+0001dc60: 2e35 312c 2d31 3230 352e 3920 3131 3035  .51,-1205.9 1105\n+0001dc70: 2e30 352c 2d38 3935 2e36 3820 3131 3730  .05,-895.68 1170\n+0001dc80: 2c2d 3833 332e 3331 2031 3139 342e 3934  ,-833.31 1194.94\n+0001dc90: 2c2d 3830 392e 3336 2031 3239 322e 3431  ,-809.36 1292.41\n+0001dca0: 2c2d 3739 342e 3936 2031 3334 362e 3434  ,-794.96 1346.44\n+0001dcb0: 2c2d 3738 382e 3635 222f 3e0a 3c70 6f6c  ,-788.65\"/>.<pol\n+0001dcc0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+0001dcd0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+0001dce0: 6662 6622 2070 6f69 6e74 733d 2231 3334  fbf\" points=\"134\n+0001dcf0: 372e 3039 2c2d 3739 322e 3120 3133 3536  7.09,-792.1 1356\n+0001dd00: 2e36 332c 2d37 3837 2e35 2031 3334 362e  .63,-787.5 1346.\n+0001dd10: 332c 2d37 3835 2e31 3420 3133 3437 2e30  3,-785.14 1347.0\n+0001dd20: 392c 2d37 3932 2e31 222f 3e0a 3c2f 673e  9,-792.1\"/>.</g>\n+0001dd30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001dd40: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n+0001dd50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001dd60: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n+0001dd70: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+0001dd80: 3035 2220 636c 6173 733d 2265 6467 6522  05\" class=\"edge\"\n+0001dd90: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0001dda0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c  src_gromacs_tool\n+0001ddb0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001ddc0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+0001ddd0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468  ld</title>.<path\n+0001dde0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001ddf0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001de00: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001de10: 352c 3222 2064 3d22 4d31 3039 362e 362c  5,2\" d=\"M1096.6,\n+0001de20: 2d31 3238 332e 3536 4339 3439 2e38 352c  -1283.56C949.85,\n+0001de30: 2d31 3237 302e 3733 2032 3431 2c2d 3132  -1270.73 241,-12\n+0001de40: 3036 2e34 3520 3234 312c 2d31 3136 322e  06.45 241,-1162.\n+0001de50: 3120 3234 312c 2d31 3136 322e 3120 3234  1 241,-1162.1 24\n+0001de60: 312c 2d31 3136 322e 3120 3234 312c 2d31  1,-1162.1 241,-1\n+0001de70: 3039 372e 3233 2032 3431 2c2d 3934 332e  097.23 241,-943.\n+0001de80: 3334 2033 3633 2e39 322c 2d39 3432 2e38  34 363.92,-942.8\n+0001de90: 3220 3431 342c 2d37 3937 2e33 3120 3436  2 414,-797.31 46\n+0001dea0: 332e 3834 2c2d 3635 322e 3520 3335 372e  3.84,-652.5 357.\n+0001deb0: 3539 2c2d 3536 382e 3133 2034 3632 2c2d  59,-568.13 462,-\n+0001dec0: 3435 362e 3039 2034 3837 2e31 352c 2d34  456.09 487.15,-4\n+0001ded0: 3239 2e31 2035 3932 2e34 352c 2d34 3135  29.1 592.45,-415\n+0001dee0: 2e39 3420 3635 302e 3338 2c2d 3431 302e  .94 650.38,-410.\n+0001def0: 3634 222f 3e0a 3c70 6f6c 7967 6f6e 2066  64\"/>.<polygon f\n+0001df00: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+0001df10: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+0001df20: 6f69 6e74 733d 2236 3530 2e39 362c 2d34  oints=\"650.96,-4\n+0001df30: 3134 2e31 2036 3630 2e36 322c 2d34 3039  14.1 660.62,-409\n+0001df40: 2e37 3320 3635 302e 3335 2c2d 3430 372e  .73 650.35,-407.\n+0001df50: 3132 2036 3530 2e39 362c 2d34 3134 2e31  12 650.96,-414.1\n+0001df60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001df70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001df80: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001df90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001dfa0: 735f 7261 6e64 6f6d 202d 2d3e 0a3c 6720  s_random -->.<g \n+0001dfb0: 6964 3d22 6564 6765 3230 3822 2063 6c61  id=\"edge208\" cla\n+0001dfc0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001dfd0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001dfe0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+0001dff0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001e000: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469  omacs_random</ti\n+0001e010: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001e020: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+0001e030: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+0001e040: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001e050: 4d31 3039 362e 3235 2c2d 3132 3834 2e33  M1096.25,-1284.3\n+0001e060: 3743 3937 362e 3733 2c2d 3132 3737 2e37  7C976.73,-1277.7\n+0001e070: 3520 3439 342e 3437 2c2d 3132 3530 2e34  5 494.47,-1250.4\n+0001e080: 3420 3432 382c 2d31 3233 372e 3420 3332  4 428,-1237.4 32\n+0001e090: 332e 3639 2c2d 3132 3136 2e39 3320 3230  3.69,-1216.93 20\n+0001e0a0: 312c 2d31 3236 382e 3339 2032 3031 2c2d  1,-1268.39 201,-\n+0001e0b0: 3131 3632 2e31 2032 3031 2c2d 3131 3632  1162.1 201,-1162\n+0001e0c0: 2e31 2032 3031 2c2d 3131 3632 2e31 2032  .1 201,-1162.1 2\n+0001e0d0: 3031 2c2d 3130 3937 2e32 3320 3230 312c  01,-1097.23 201,\n+0001e0e0: 2d39 3033 2e37 3720 3237 312e 3637 2c2d  -903.77 271.67,-\n+0001e0f0: 3836 332e 3935 2032 3932 2c2d 3637 312e  863.95 292,-671.\n+0001e100: 3537 2032 3939 2e31 332c 2d36 3034 2e30  57 299.13,-604.0\n+0001e110: 3820 3236 312e 3136 2c2d 3538 312e 3731  8 261.16,-581.71\n+0001e120: 2032 3837 2c2d 3531 382e 3936 2033 3331   287,-518.96 331\n+0001e130: 2e39 342c 2d34 3039 2e38 3120 3336 392e  .94,-409.81 369.\n+0001e140: 3331 2c2d 3338 342e 3838 2034 3734 2c2d  31,-384.88 474,-\n+0001e150: 3333 302e 3335 2035 3530 2e30 352c 2d32  330.35 550.05,-2\n+0001e160: 3930 2e37 3420 3635 312e 3834 2c2d 3238  90.74 651.84,-28\n+0001e170: 322e 3536 2037 3039 2e37 312c 2d32 3831  2.56 709.71,-281\n+0001e180: 2e34 3122 2f3e 0a3c 706f 6c79 676f 6e20  .41\"/>.<polygon \n+0001e190: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+0001e1a0: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+0001e1b0: 7473 3d22 3731 302e 3034 2c2d 3238 342e  ts=\"710.04,-284.\n+0001e1c0: 3920 3731 392e 3939 2c2d 3238 312e 3237  9 719.99,-281.27\n+0001e1d0: 2037 3039 2e39 342c 2d32 3737 2e39 2037   709.94,-277.9 7\n+0001e1e0: 3130 2e30 342c 2d32 3834 2e39 222f 3e0a  10.04,-284.9\"/>.\n+0001e1f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001e200: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+0001e210: 6477 6172 6526 2334 353b 2667 743b 6d6f  dware&#45;&gt;mo\n+0001e220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001e230: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c  _gpu_utils -->.<\n+0001e240: 6720 6964 3d22 6564 6765 3231 3022 2063  g id=\"edge210\" c\n+0001e250: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0001e260: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0001e270: 726f 6d61 6373 5f68 6172 6477 6172 6526  romacs_hardware&\n+0001e280: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001e290: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+0001e2a0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n+0001e2b0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001e2c0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001e2d0: 643d 224d 3139 3934 2e36 362c 2d31 3032  d=\"M1994.66,-102\n+0001e2e0: 2e39 3243 3230 3132 2e30 372c 2d31 3131  .92C2012.07,-111\n+0001e2f0: 2e38 3520 3230 3334 2e37 382c 2d31 3236  .85 2034.78,-126\n+0001e300: 2e30 3920 3230 3532 2c2d 3134 312e 3734  .09 2052,-141.74\n+0001e310: 2032 3135 302e 3237 2c2d 3233 312e 3033   2150.27,-231.03\n+0001e320: 2032 3139 322c 2d32 3732 2e38 3820 3231   2192,-272.88 21\n+0001e330: 3932 2c2d 3430 352e 3636 2032 3139 322c  92,-405.66 2192,\n+0001e340: 2d34 3730 2e35 3320 3231 3932 2c2d 3437  -470.53 2192,-47\n+0001e350: 302e 3533 2032 3139 322c 2d34 3730 2e35  0.53 2192,-470.5\n+0001e360: 3320 3231 3932 2c2d 3535 332e 3934 2032  3 2192,-553.94 2\n+0001e370: 3137 322c 2d35 3733 2e37 3220 3231 3732  172,-573.72 2172\n+0001e380: 2c2d 3635 372e 3134 2032 3137 322c 2d37  ,-657.14 2172,-7\n+0001e390: 3834 2e38 3820 3231 3732 2c2d 3738 342e  84.88 2172,-784.\n+0001e3a0: 3838 2032 3137 322c 2d37 3834 2e38 3820  88 2172,-784.88 \n+0001e3b0: 3231 3732 2c2d 3831 3920 3231 3830 2e38  2172,-819 2180.8\n+0001e3c0: 2c2d 3833 352e 3732 2032 3135 372c 2d38  ,-835.72 2157,-8\n+0001e3d0: 3630 2e31 3820 3139 3831 2e35 332c 2d31  60.18 1981.53,-1\n+0001e3e0: 3034 302e 3532 2031 3835 332e 3931 2c2d  040.52 1853.91,-\n+0001e3f0: 3934 392e 3039 2031 3630 352c 2d39 3835  949.09 1605,-985\n+0001e400: 2e39 3220 3133 3632 2e39 372c 2d31 3032  .92 1362.97,-102\n+0001e410: 312e 3734 2031 3036 392e 3238 2c2d 3130  1.74 1069.28,-10\n+0001e420: 3331 2e32 3120 3935 332e 3835 2c2d 3130  31.21 953.85,-10\n+0001e430: 3333 2e36 222f 3e0a 3c70 6f6c 7967 6f6e  33.6\"/>.<polygon\n+0001e440: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+0001e450: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001e460: 2070 6f69 6e74 733d 2239 3533 2e34 392c   points=\"953.49,\n+0001e470: 2d31 3033 302e 3120 3934 332e 3536 2c2d  -1030.1 943.56,-\n+0001e480: 3130 3333 2e38 2039 3533 2e36 332c 2d31  1033.8 953.63,-1\n+0001e490: 3033 372e 3120 3935 332e 3439 2c2d 3130  037.1 953.49,-10\n+0001e4a0: 3330 2e31 222f 3e0a 3c2f 673e 0a3c 212d  30.1\"/>.</g>.<!-\n+0001e4b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001e4c0: 6d61 6373 5f61 6e61 6c79 7369 7364 6174  macs_analysisdat\n+0001e4d0: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n+0001e4e0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+0001e4f0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+0001e500: 6467 6532 3131 2220 636c 6173 733d 2265  dge211\" class=\"e\n+0001e510: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001e520: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001e530: 616e 616c 7973 6973 6461 7461 2623 3435  analysisdata&#45\n+0001e540: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001e550: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n+0001e560: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001e570: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001e580: 2223 6266 6266 6266 2220 643d 224d 3132  \"#bfbfbf\" d=\"M12\n+0001e590: 3633 2e35 392c 2d38 3335 4331 3238 382e  63.59,-835C1288.\n+0001e5a0: 3832 2c2d 3832 342e 3431 2031 3332 372e  82,-824.41 1327.\n+0001e5b0: 3334 2c2d 3830 382e 3234 2031 3335 332e  34,-808.24 1353.\n+0001e5c0: 3736 2c2d 3739 372e 3135 222f 3e0a 3c70  76,-797.15\"/>.<p\n+0001e5d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0001e5e0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0001e5f0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+0001e600: 3335 352e 3338 2c2d 3830 302e 3237 2031  355.38,-800.27 1\n+0001e610: 3336 332e 3235 2c2d 3739 332e 3137 2031  363.25,-793.17 1\n+0001e620: 3335 322e 3637 2c2d 3739 332e 3831 2031  352.67,-793.81 1\n+0001e630: 3335 352e 3338 2c2d 3830 302e 3237 222f  355.38,-800.27\"/\n+0001e640: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001e650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n+0001e660: 696e 6561 7261 6c67 6562 7261 202d 2d3e  inearalgebra -->\n+0001e670: 0a3c 6720 6964 3d22 6e6f 6465 3335 2220  .<g id=\"node35\" \n+0001e680: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n+0001e690: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0001e6a0: 6772 6f6d 6163 735f 6c69 6e65 6172 616c  gromacs_linearal\n+0001e6b0: 6765 6272 613c 2f74 6974 6c65 3e0a 3c65  gebra</title>.<e\n+0001e6c0: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n+0001e6d0: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n+0001e6e0: 6163 6b22 2063 783d 2238 3136 2220 6379  ack\" cx=\"816\" cy\n+0001e6f0: 3d22 2d31 3238 362e 3834 2220 7278 3d22  =\"-1286.84\" rx=\"\n+0001e700: 3530 2e34 3122 2072 793d 2231 332e 3337  50.41\" ry=\"13.37\n+0001e710: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+0001e720: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+0001e730: 3d22 3831 3622 2079 3d22 2d31 3238 342e  =\"816\" y=\"-1284.\n+0001e740: 3334 2220 666f 6e74 2d66 616d 696c 793d  34\" font-family=\n+0001e750: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+0001e760: 7369 7a65 3d22 3130 2e30 3022 3e6c 696e  size=\"10.00\">lin\n+0001e770: 6561 7261 6c67 6562 7261 3c2f 7465 7874  earalgebra</text\n+0001e780: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001e790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0001e7a0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469  orrelationfuncti\n+0001e7b0: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 226e  ons -->.<g id=\"n\n+0001e7c0: 6f64 6533 3622 2063 6c61 7373 3d22 6e6f  ode36\" class=\"no\n+0001e7d0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+0001e7e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0001e7f0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469  orrelationfuncti\n+0001e800: 6f6e 733c 2f74 6974 6c65 3e0a 3c67 2069  ons</title>.<g i\n+0001e810: 643d 2261 5f6e 6f64 6533 3622 3e3c 6120  d=\"a_node36\"><a \n+0001e820: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n+0001e830: 705f 5f6d 6f64 756c 655f 5f63 6f72 7265  p__module__corre\n+0001e840: 6c61 7469 6f6e 6675 6e63 7469 6f6e 732e  lationfunctions.\n+0001e850: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n+0001e860: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n+0001e870: 3d22 636f 7272 656c 6174 696f 6e66 756e  =\"correlationfun\n+0001e880: 6374 696f 6e73 223e 0a3c 656c 6c69 7073  ctions\">.<ellips\n+0001e890: 6520 6669 6c6c 3d22 2366 6663 6363 6322  e fill=\"#ffcccc\"\n+0001e8a0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+0001e8b0: 6378 3d22 3136 3933 2220 6379 3d22 2d39  cx=\"1693\" cy=\"-9\n+0001e8c0: 3039 2e36 3222 2072 783d 2237 312e 3334  09.62\" rx=\"71.34\n+0001e8d0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+0001e8e0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+0001e8f0: 3d22 6d69 6464 6c65 2220 783d 2231 3639  =\"middle\" x=\"169\n+0001e900: 3322 2079 3d22 2d39 3037 2e31 3222 2066  3\" y=\"-907.12\" f\n+0001e910: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+0001e920: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+0001e930: 2231 302e 3030 223e 636f 7272 656c 6174  \"10.00\">correlat\n+0001e940: 696f 6e66 756e 6374 696f 6e73 3c2f 7465  ionfunctions</te\n+0001e950: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+0001e960: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001e970: 7263 5f67 726f 6d61 6373 5f63 6f72 7265  rc_gromacs_corre\n+0001e980: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326  lationfunctions&\n+0001e990: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001e9a0: 7263 5f67 726f 6d61 6373 5f66 6674 202d  rc_gromacs_fft -\n+0001e9b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231  ->.<g id=\"edge21\n+0001e9c0: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n+0001e9d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0001e9e0: 7263 5f67 726f 6d61 6373 5f63 6f72 7265  rc_gromacs_corre\n+0001e9f0: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326  lationfunctions&\n+0001ea00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001ea10: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f  rc_gromacs_fft</\n+0001ea20: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001ea30: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001ea40: 2223 3238 3266 6363 2220 643d 224d 3137  \"#282fcc\" d=\"M17\n+0001ea50: 3631 2e31 322c 2d39 3035 2e34 3343 3138  61.12,-905.43C18\n+0001ea60: 3534 2e39 362c 2d39 3030 2e31 2032 3031  54.96,-900.1 201\n+0001ea70: 382e 342c 2d38 3837 2e31 3920 3230 3731  8.4,-887.19 2071\n+0001ea80: 2c2d 3836 302e 3138 2032 3133 382e 392c  ,-860.18 2138.9,\n+0001ea90: 2d38 3235 2e33 3120 3231 3536 2e33 352c  -825.31 2156.35,\n+0001eaa0: 2d38 3033 2e39 3120 3231 3838 2c2d 3733  -803.91 2188,-73\n+0001eab0: 342e 3434 2032 3231 382e 3132 2c2d 3636  4.44 2218.12,-66\n+0001eac0: 382e 3334 2032 3232 362e 3532 2c2d 3434  8.34 2226.52,-44\n+0001ead0: 312e 3333 2032 3232 382e 3438 2c2d 3336  1.33 2228.48,-36\n+0001eae0: 372e 3922 2f3e 0a3c 706f 6c79 676f 6e20  7.9\"/>.<polygon \n+0001eaf0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0001eb00: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001eb10: 706f 696e 7473 3d22 3232 3331 2e39 392c  points=\"2231.99,\n+0001eb20: 2d33 3637 2e35 3620 3232 3238 2e37 342c  -367.56 2228.74,\n+0001eb30: 2d33 3537 2e34 3820 3232 3234 2e39 392c  -357.48 2224.99,\n+0001eb40: 2d33 3637 2e33 3920 3232 3331 2e39 392c  -367.39 2231.99,\n+0001eb50: 2d33 3637 2e35 3622 2f3e 0a3c 2f67 3e0a  -367.56\"/>.</g>.\n+0001eb60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001eb70: 6772 6f6d 6163 735f 636f 7272 656c 6174  gromacs_correlat\n+0001eb80: 696f 6e66 756e 6374 696f 6e73 2623 3435  ionfunctions&#45\n+0001eb90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001eba0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+0001ebb0: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n+0001ebc0: 6467 6532 3134 2220 636c 6173 733d 2265  dge214\" class=\"e\n+0001ebd0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001ebe0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001ebf0: 636f 7272 656c 6174 696f 6e66 756e 6374  correlationfunct\n+0001ec00: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64  ions&#45;&gt;mod\n+0001ec10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001ec20: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n+0001ec30: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001ec40: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0001ec50: 3832 6663 6322 2064 3d22 4d31 3638 382e  82fcc\" d=\"M1688.\n+0001ec60: 3635 2c2d 3839 3643 3136 3836 2e30 362c  65,-896C1686.06,\n+0001ec70: 2d38 3838 2e34 3920 3136 3832 2e37 2c2d  -888.49 1682.7,-\n+0001ec80: 3837 382e 3735 2031 3637 392e 3637 2c2d  878.75 1679.67,-\n+0001ec90: 3836 392e 3939 222f 3e0a 3c70 6f6c 7967  869.99\"/>.<polyg\n+0001eca0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0001ecb0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001ecc0: 6322 2070 6f69 6e74 733d 2231 3638 322e  c\" points=\"1682.\n+0001ecd0: 3932 2c2d 3836 382e 3635 2031 3637 362e  92,-868.65 1676.\n+0001ece0: 3335 2c2d 3836 302e 3334 2031 3637 362e  35,-860.34 1676.\n+0001ecf0: 332c 2d38 3730 2e39 3420 3136 3832 2e39  3,-870.94 1682.9\n+0001ed00: 322c 2d38 3638 2e36 3522 2f3e 0a3c 2f67  2,-868.65\"/>.</g\n+0001ed10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0001ed20: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n+0001ed30: 6174 696f 6e66 756e 6374 696f 6e73 2623  ationfunctions&#\n+0001ed40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001ed50: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+0001ed60: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0001ed70: 3231 3222 2063 6c61 7373 3d22 6564 6765  212\" class=\"edge\n+0001ed80: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0001ed90: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72  _src_gromacs_cor\n+0001eda0: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e  relationfunction\n+0001edb0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001edc0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+0001edd0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174  eio</title>.<pat\n+0001ede0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001edf0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0001ee00: 3d22 4d31 3730 372e 3839 2c2d 3839 362e  =\"M1707.89,-896.\n+0001ee10: 3336 4331 3732 352e 3336 2c2d 3838 302e  36C1725.36,-880.\n+0001ee20: 3534 2031 3734 392e 3932 2c2d 3835 322e  54 1749.92,-852.\n+0001ee30: 3733 2031 3733 332c 2d38 3333 2e33 3120  73 1733,-833.31 \n+0001ee40: 3136 3932 2e37 352c 2d37 3837 2e31 3120  1692.75,-787.11 \n+0001ee50: 3135 3032 2e31 372c 2d37 3833 2e35 3220  1502.17,-783.52 \n+0001ee60: 3134 3230 2e34 2c2d 3738 342e 3137 222f  1420.4,-784.17\"/\n+0001ee70: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001ee80: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+0001ee90: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+0001eea0: 733d 2231 3432 302e 3033 2c2d 3738 302e  s=\"1420.03,-780.\n+0001eeb0: 3638 2031 3431 302e 3037 2c2d 3738 342e  68 1410.07,-784.\n+0001eec0: 3238 2031 3432 302e 3131 2c2d 3738 372e  28 1420.11,-787.\n+0001eed0: 3638 2031 3432 302e 3033 2c2d 3738 302e  68 1420.03,-780.\n+0001eee0: 3638 222f 3e0a 3c2f 673e 0a3c 212d 2d20  68\"/>.</g>.<!-- \n+0001eef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001ef00: 6373 5f67 6d78 616e 6126 2334 353b 2667  cs_gmxana&#45;&g\n+0001ef10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001ef20: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n+0001ef30: 0a3c 6720 6964 3d22 6564 6765 3232 3122  .<g id=\"edge221\"\n+0001ef40: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001ef50: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001ef60: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+0001ef70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001ef80: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+0001ef90: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+0001efa0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001efb0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+0001efc0: 224d 3135 3439 2e39 352c 2d31 3135 382e  \"M1549.95,-1158.\n+0001efd0: 3938 4331 3434 352e 3238 2c2d 3131 3535  98C1445.28,-1155\n+0001efe0: 2e33 3920 3131 3235 2e39 362c 2d31 3134  .39 1125.96,-114\n+0001eff0: 322e 3520 3836 332c 2d31 3131 312e 3636  2.5 863,-1111.66\n+0001f000: 2038 3532 2e38 312c 2d31 3131 302e 3437   852.81,-1110.47\n+0001f010: 2038 3431 2e38 392c 2d31 3130 382e 3833   841.89,-1108.83\n+0001f020: 2038 3331 2e36 352c 2d31 3130 372e 3134   831.65,-1107.14\n+0001f030: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001f040: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0001f050: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0001f060: 6e74 733d 2238 3332 2e31 332c 2d31 3130  nts=\"832.13,-110\n+0001f070: 332e 3637 2038 3231 2e36 392c 2d31 3130  3.67 821.69,-110\n+0001f080: 352e 3434 2038 3330 2e39 362c 2d31 3131  5.44 830.96,-111\n+0001f090: 302e 3537 2038 3332 2e31 332c 2d31 3130  0.57 832.13,-110\n+0001f0a0: 332e 3637 222f 3e0a 3c2f 673e 0a3c 212d  3.67\"/>.</g>.<!-\n+0001f0b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001f0c0: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n+0001f0d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001f0e0: 726f 6d61 6373 5f73 7461 7469 7374 6963  romacs_statistic\n+0001f0f0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+0001f100: 6532 3232 2220 636c 6173 733d 2265 6467  e222\" class=\"edg\n+0001f110: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001f120: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001f130: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001f140: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001f150: 7374 6174 6973 7469 6373 3c2f 7469 746c  statistics</titl\n+0001f160: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001f170: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0001f180: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0001f190: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001f1a0: 4d31 3536 372e 3936 2c2d 3131 3439 2e31  M1567.96,-1149.1\n+0001f1b0: 3243 3135 3233 2e34 362c 2d31 3131 392e  2C1523.46,-1119.\n+0001f1c0: 3320 3134 3034 2e32 312c 2d31 3033 312e  3 1404.21,-1031.\n+0001f1d0: 3720 3133 3631 2c2d 3932 332e 3035 2031  7 1361,-923.05 1\n+0001f1e0: 3335 362e 3539 2c2d 3931 312e 3935 2031  356.59,-911.95 1\n+0001f1f0: 3335 342e 3036 2c2d 3930 352e 3920 3133  354.06,-905.9 13\n+0001f200: 3631 2c2d 3839 362e 3138 2031 3336 372e  61,-896.18 1367.\n+0001f210: 3137 2c2d 3838 372e 3534 2031 3432 332e  17,-887.54 1423.\n+0001f220: 3336 2c2d 3837 302e 3038 2031 3436 322e  36,-870.08 1462.\n+0001f230: 3931 2c2d 3835 382e 3635 222f 3e0a 3c70  91,-858.65\"/>.<p\n+0001f240: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0001f250: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0001f260: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+0001f270: 3436 332e 3932 2c2d 3836 3220 3134 3732  463.92,-862 1472\n+0001f280: 2e35 372c 2d38 3535 2e38 3820 3134 3631  .57,-855.88 1461\n+0001f290: 2e39 392c 2d38 3535 2e32 3720 3134 3633  .99,-855.27 1463\n+0001f2a0: 2e39 322c 2d38 3632 222f 3e0a 3c2f 673e  .92,-862\"/>.</g>\n+0001f2b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001f2c0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+0001f2d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001f2e0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+0001f2f0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+0001f300: 6532 3236 2220 636c 6173 733d 2265 6467  e226\" class=\"edg\n+0001f310: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001f320: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001f330: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001f340: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001f350: 676d 786c 6962 3c2f 7469 746c 653e 0a3c  gmxlib</title>.<\n+0001f360: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001f370: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0001f380: 2220 643d 224d 3135 3439 2e34 372c 2d31  \" d=\"M1549.47,-1\n+0001f390: 3135 392e 3738 4331 3435 332e 382c 2d31  159.78C1453.8,-1\n+0001f3a0: 3135 382e 3432 2031 3139 322e 3933 2c2d  158.42 1192.93,-\n+0001f3b0: 3131 3531 2e30 3820 3131 3138 2c2d 3131  1151.08 1118,-11\n+0001f3c0: 3131 2e36 3620 3130 3339 2e31 352c 2d31  11.66 1039.15,-1\n+0001f3d0: 3037 302e 3138 2031 3036 322e 3337 2c2d  070.18 1062.37,-\n+0001f3e0: 3130 3038 2e31 3120 3938 382c 2d39 3539  1008.11 988,-959\n+0001f3f0: 2e30 3520 3935 322e 3534 2c2d 3933 352e  .05 952.54,-935.\n+0001f400: 3636 2039 3035 2e31 372c 2d39 3233 2e30  66 905.17,-923.0\n+0001f410: 3620 3837 312e 3937 2c2d 3931 362e 3633  6 871.97,-916.63\n+0001f420: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001f430: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0001f440: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0001f450: 6e74 733d 2238 3732 2e31 382c 2d39 3133  nts=\"872.18,-913\n+0001f460: 2e31 3120 3836 312e 3732 2c2d 3931 342e  .11 861.72,-914.\n+0001f470: 3735 2038 3730 2e39 322c 2d39 3230 2038  75 870.92,-920 8\n+0001f480: 3732 2e31 382c 2d39 3133 2e31 3122 2f3e  72.18,-913.11\"/>\n+0001f490: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0001f4a0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001f4b0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001f4c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001f4d0: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d  listed_forces --\n+0001f4e0: 3e0a 3c67 2069 643d 2265 6467 6532 3139  >.<g id=\"edge219\n+0001f4f0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001f500: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001f510: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+0001f520: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001f530: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+0001f540: 6564 5f66 6f72 6365 733c 2f74 6974 6c65  ed_forces</title\n+0001f550: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001f560: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+0001f570: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+0001f580: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+0001f590: 3135 3439 2e37 312c 2d31 3135 392e 3531  1549.71,-1159.51\n+0001f5a0: 4331 3337 312e 3132 2c2d 3131 3536 2e31  C1371.12,-1156.1\n+0001f5b0: 3620 3536 362e 342c 2d31 3133 362e 3337  6 566.4,-1136.37\n+0001f5c0: 2033 3335 2c2d 3130 3438 2e37 3920 3133   335,-1048.79 13\n+0001f5d0: 322e 3837 2c2d 3937 322e 3239 2031 3537  2.87,-972.29 157\n+0001f5e0: 2c2d 3831 322e 3339 2031 3537 2c2d 3539  ,-812.39 157,-59\n+0001f5f0: 362e 3237 2031 3537 2c2d 3539 362e 3237  6.27 157,-596.27\n+0001f600: 2031 3537 2c2d 3539 362e 3237 2031 3537   157,-596.27 157\n+0001f610: 2c2d 3237 392e 3932 2031 3537 2c2d 3233  ,-279.92 157,-23\n+0001f620: 342e 3531 2031 3937 2e37 352c 2d31 3935  4.51 197.75,-195\n+0001f630: 2e35 2032 3235 2e38 372c 2d31 3733 2e39  .5 225.87,-173.9\n+0001f640: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n+0001f650: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0001f660: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0001f670: 696e 7473 3d22 3232 382e 3137 2c2d 3137  ints=\"228.17,-17\n+0001f680: 362e 3634 2032 3334 2e31 332c 2d31 3637  6.64 234.13,-167\n+0001f690: 2e38 3920 3232 342e 3031 2c2d 3137 312e  .89 224.01,-171.\n+0001f6a0: 3031 2032 3238 2e31 372c 2d31 3736 2e36  01 228.17,-176.6\n+0001f6b0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+0001f6c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001f6d0: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n+0001f6e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001f6f0: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67  acs_mdlib -->.<g\n+0001f700: 2069 643d 2265 6467 6532 3234 2220 636c   id=\"edge224\" cl\n+0001f710: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001f720: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001f730: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+0001f740: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001f750: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74  gromacs_mdlib</t\n+0001f760: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0001f770: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0001f780: 2362 6662 6662 6622 2064 3d22 4d31 3631  #bfbfbf\" d=\"M161\n+0001f790: 342e 3439 2c2d 3131 3533 2e35 3843 3136  4.49,-1153.58C16\n+0001f7a0: 3836 2e30 332c 2d31 3133 362e 3934 2031  86.03,-1136.94 1\n+0001f7b0: 3836 332c 2d31 3039 302e 3331 2031 3836  863,-1090.31 186\n+0001f7c0: 332c 2d31 3033 362e 3336 2031 3836 332c  3,-1036.36 1863,\n+0001f7d0: 2d31 3033 362e 3336 2031 3836 332c 2d31  -1036.36 1863,-1\n+0001f7e0: 3033 362e 3336 2031 3836 332c 2d39 3038  036.36 1863,-908\n+0001f7f0: 2e36 3220 3138 3633 2c2d 3834 352e 3833  .62 1863,-845.83\n+0001f800: 2031 3830 382e 3638 2c2d 3835 302e 3933   1808.68,-850.93\n+0001f810: 2031 3737 362c 2d37 3937 2e33 3120 3137   1776,-797.31 17\n+0001f820: 3633 2e31 342c 2d37 3736 2e32 3120 3136  63.14,-776.21 16\n+0001f830: 3039 2e33 322c 2d34 3038 2e36 3320 3135  09.32,-408.63 15\n+0001f840: 3930 2c2d 3339 332e 3232 2031 3536 302e  90,-393.22 1560.\n+0001f850: 3634 2c2d 3336 392e 3831 2031 3435 342e  64,-369.81 1454.\n+0001f860: 3632 2c2d 3335 352e 3033 2031 3339 372e  62,-355.03 1397.\n+0001f870: 3334 2c2d 3334 382e 3537 222f 3e0a 3c70  34,-348.57\"/>.<p\n+0001f880: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0001f890: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0001f8a0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+0001f8b0: 3339 372e 3536 2c2d 3334 352e 3037 2031  397.56,-345.07 1\n+0001f8c0: 3338 372e 3234 2c2d 3334 372e 3436 2031  387.24,-347.46 1\n+0001f8d0: 3339 362e 382c 2d33 3532 2e30 3320 3133  396.8,-352.03 13\n+0001f8e0: 3937 2e35 362c 2d33 3435 2e30 3722 2f3e  97.56,-345.07\"/>\n+0001f8f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0001f900: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001f910: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001f920: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001f930: 6666 7420 2d2d 3e0a 3c67 2069 643d 2265  fft -->.<g id=\"e\n+0001f940: 6467 6532 3233 2220 636c 6173 733d 2265  dge223\" class=\"e\n+0001f950: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001f960: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001f970: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n+0001f980: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001f990: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70  s_fft</title>.<p\n+0001f9a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001f9b0: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n+0001f9c0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+0001f9d0: 2235 2c32 2220 643d 224d 3136 3136 2e39  \"5,2\" d=\"M1616.9\n+0001f9e0: 352c 2d31 3135 352e 3233 4331 3633 342e  5,-1155.23C1634.\n+0001f9f0: 3337 2c2d 3131 3532 2e37 2031 3635 362e  37,-1152.7 1656.\n+0001fa00: 3334 2c2d 3131 3439 2e37 3220 3136 3736  34,-1149.72 1676\n+0001fa10: 2c2d 3131 3437 2e36 3620 3137 3330 2e35  ,-1147.66 1730.5\n+0001fa20: 312c 2d31 3134 312e 3935 2032 3132 342e  1,-1141.95 2124.\n+0001fa30: 3134 2c2d 3131 3434 2e35 3320 3231 3638  14,-1144.53 2168\n+0001fa40: 2c2d 3131 3131 2e36 3620 3232 3036 2e31  ,-1111.66 2206.1\n+0001fa50: 362c 2d31 3038 332e 3037 2032 3234 332c  6,-1083.07 2243,\n+0001fa60: 2d39 3538 2e33 2032 3234 332c 2d39 3130  -958.3 2243,-910\n+0001fa70: 2e36 3220 3232 3433 2c2d 3931 302e 3632  .62 2243,-910.62\n+0001fa80: 2032 3234 332c 2d39 3130 2e36 3220 3232   2243,-910.62 22\n+0001fa90: 3433 2c2d 3738 322e 3838 2032 3234 332c  43,-782.88 2243,\n+0001faa0: 2d36 3039 2e36 3320 3232 3339 2e38 2c2d  -609.63 2239.8,-\n+0001fab0: 3536 362e 3239 2032 3233 322c 2d33 3933  566.29 2232,-393\n+0001fac0: 2e32 3220 3232 3331 2e36 322c 2d33 3834  .22 2231.62,-384\n+0001fad0: 2e38 3920 3232 3331 2e30 392c 2d33 3735  .89 2231.09,-375\n+0001fae0: 2e37 3620 3232 3330 2e35 382c 2d33 3637  .76 2230.58,-367\n+0001faf0: 2e36 3922 2f3e 0a3c 706f 6c79 676f 6e20  .69\"/>.<polygon \n+0001fb00: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+0001fb10: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+0001fb20: 7473 3d22 3232 3334 2e30 362c 2d33 3637  ts=\"2234.06,-367\n+0001fb30: 2e32 3720 3232 3239 2e39 312c 2d33 3537  .27 2229.91,-357\n+0001fb40: 2e35 3320 3232 3237 2e30 372c 2d33 3637  .53 2227.07,-367\n+0001fb50: 2e37 3420 3232 3334 2e30 362c 2d33 3637  .74 2234.06,-367\n+0001fb60: 2e32 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .27\"/>.</g>.<!--\n+0001fb70: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0001fb80: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+0001fb90: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001fba0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+0001fbb0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n+0001fbc0: 6532 3135 2220 636c 6173 733d 2265 6467  e215\" class=\"edg\n+0001fbd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001fbe0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001fbf0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001fc00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001fc10: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n+0001fc20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001fc30: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c  none\" stroke=\"bl\n+0001fc40: 6163 6b22 2073 7472 6f6b 652d 6461 7368  ack\" stroke-dash\n+0001fc50: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+0001fc60: 3135 3838 2e30 352c 2d31 3134 372e 3534  1588.05,-1147.54\n+0001fc70: 4331 3539 332e 3139 2c2d 3131 3235 2e32  C1593.19,-1125.2\n+0001fc80: 3820 3136 3033 2c2d 3130 3737 2e33 3920  8 1603,-1077.39 \n+0001fc90: 3136 3033 2c2d 3130 3336 2e33 3620 3136  1603,-1036.36 16\n+0001fca0: 3033 2c2d 3130 3336 2e33 3620 3136 3033  03,-1036.36 1603\n+0001fcb0: 2c2d 3130 3336 2e33 3620 3136 3033 2c2d  ,-1036.36 1603,-\n+0001fcc0: 3937 312e 3439 2031 3630 332c 2d39 3337  971.49 1603,-937\n+0001fcd0: 2e37 3220 3135 3936 2e35 382c 2d39 3235  .72 1596.58,-925\n+0001fce0: 2e36 3820 3136 3133 2c2d 3839 362e 3138  .68 1613,-896.18\n+0001fcf0: 2031 3632 302e 3033 2c2d 3838 332e 3534   1620.03,-883.54\n+0001fd00: 2031 3633 312e 382c 2d38 3732 2e38 3720   1631.8,-872.87 \n+0001fd10: 3136 3432 2e39 382c 2d38 3634 2e37 3922  1642.98,-864.79\"\n+0001fd20: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001fd30: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+0001fd40: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+0001fd50: 3136 3435 2e30 322c 2d38 3637 2e36 3420  1645.02,-867.64 \n+0001fd60: 3136 3531 2e33 332c 2d38 3539 2e31 3320  1651.33,-859.13 \n+0001fd70: 3136 3431 2e30 392c 2d38 3631 2e38 3520  1641.09,-861.85 \n+0001fd80: 3136 3435 2e30 322c 2d38 3637 2e36 3422  1645.02,-867.64\"\n+0001fd90: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001fda0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001fdb0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n+0001fdc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001fdd0: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n+0001fde0: 6374 696f 6e73 202d 2d3e 0a3c 6720 6964  ctions -->.<g id\n+0001fdf0: 3d22 6564 6765 3231 3822 2063 6c61 7373  =\"edge218\" class\n+0001fe00: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001fe10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001fe20: 6373 5f67 6d78 616e 6126 2334 353b 2667  cs_gmxana&#45;&g\n+0001fe30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001fe40: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e  macs_correlation\n+0001fe50: 6675 6e63 7469 6f6e 733c 2f74 6974 6c65  functions</title\n+0001fe60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001fe70: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+0001fe80: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+0001fe90: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+0001fea0: 3135 3931 2e30 312c 2d31 3134 372e 3832  1591.01,-1147.82\n+0001feb0: 4331 3539 352e 3734 2c2d 3131 3338 2e30  C1595.74,-1138.0\n+0001fec0: 3720 3136 3032 2e34 342c 2d31 3132 342e  7 1602.44,-1124.\n+0001fed0: 3036 2031 3630 382c 2d31 3131 312e 3636  06 1608,-1111.66\n+0001fee0: 2031 3633 362e 3932 2c2d 3130 3437 2e31   1636.92,-1047.1\n+0001fef0: 3920 3136 3638 2e38 312c 2d39 3639 2e39  9 1668.81,-969.9\n+0001ff00: 3720 3136 3834 2c2d 3933 322e 3738 222f  7 1684,-932.78\"/\n+0001ff10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001ff20: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001ff30: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0001ff40: 733d 2231 3638 372e 3239 2c2d 3933 332e  s=\"1687.29,-933.\n+0001ff50: 3938 2031 3638 372e 3832 2c2d 3932 332e  98 1687.82,-923.\n+0001ff60: 3420 3136 3830 2e38 2c2d 3933 312e 3334  4 1680.8,-931.34\n+0001ff70: 2031 3638 372e 3239 2c2d 3933 332e 3938   1687.29,-933.98\n+0001ff80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001ff90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001ffa0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n+0001ffb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001ffc0: 6373 5f6d 6473 7061 6e20 2d2d 3e0a 3c67  cs_mdspan -->.<g\n+0001ffd0: 2069 643d 2265 6467 6532 3237 2220 636c   id=\"edge227\" cl\n+0001ffe0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001fff0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00020000: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+00020010: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00020020: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f  gromacs_mdspan</\n+00020030: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00020040: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00020050: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00020060: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00020070: 2064 3d22 4d31 3631 362e 3935 2c2d 3131   d=\"M1616.95,-11\n+00020080: 3535 2e32 3143 3136 3334 2e33 372c 2d31  55.21C1634.37,-1\n+00020090: 3135 322e 3638 2031 3635 362e 3333 2c2d  152.68 1656.33,-\n+000200a0: 3131 3439 2e37 2031 3637 362c 2d31 3134  1149.7 1676,-114\n+000200b0: 372e 3636 2031 3733 322e 3137 2c2d 3131  7.66 1732.17,-11\n+000200c0: 3431 2e38 3320 3231 3335 2e33 362c 2d31  41.83 2135.36,-1\n+000200d0: 3134 312e 3939 2032 3138 332c 2d31 3131  141.99 2183,-111\n+000200e0: 312e 3636 2032 3230 332e 3631 2c2d 3130  1.66 2203.61,-10\n+000200f0: 3938 2e35 3420 3233 3633 2c2d 3831 372e  98.54 2363,-817.\n+00020100: 3136 2032 3336 332c 2d37 3232 2e30 3120  16 2363,-722.01 \n+00020110: 3233 3633 2c2d 3732 322e 3031 2032 3336  2363,-722.01 236\n+00020120: 332c 2d37 3232 2e30 3120 3233 3633 2c2d  3,-722.01 2363,-\n+00020130: 3135 342e 3138 2032 3336 332c 2d31 3033  154.18 2363,-103\n+00020140: 2e32 3220 3233 3039 2e39 342c 2d36 342e  .22 2309.94,-64.\n+00020150: 3936 2032 3237 342e 3938 2c2d 3435 2e32  96 2274.98,-45.2\n+00020160: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+00020170: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+00020180: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+00020190: 696e 7473 3d22 3232 3736 2e35 352c 2d34  ints=\"2276.55,-4\n+000201a0: 322e 3136 2032 3236 362e 312c 2d34 302e  2.16 2266.1,-40.\n+000201b0: 3436 2032 3237 332e 3231 2c2d 3438 2e33  46 2273.21,-48.3\n+000201c0: 3120 3232 3736 2e35 352c 2d34 322e 3136  1 2276.55,-42.16\n+000201d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000201e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000201f0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n+00020200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00020210: 6373 5f74 7261 6a65 6374 6f72 7920 2d2d  cs_trajectory --\n+00020220: 3e0a 3c67 2069 643d 2265 6467 6532 3230  >.<g id=\"edge220\n+00020230: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00020240: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00020250: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+00020260: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00020270: 7372 635f 6772 6f6d 6163 735f 7472 616a  src_gromacs_traj\n+00020280: 6563 746f 7279 3c2f 7469 746c 653e 0a3c  ectory</title>.<\n+00020290: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000202a0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+000202b0: 2220 643d 224d 3136 3136 2e32 332c 2d31  \" d=\"M1616.23,-1\n+000202c0: 3135 342e 3736 4331 3635 372e 3834 2c2d  154.76C1657.84,-\n+000202d0: 3131 3437 2e32 3320 3137 3333 2e34 392c  1147.23 1733.49,\n+000202e0: 2d31 3133 322e 3131 2031 3739 362c 2d31  -1132.11 1796,-1\n+000202f0: 3131 312e 3636 2031 3935 382e 3135 2c2d  111.66 1958.15,-\n+00020300: 3130 3538 2e36 3220 3231 3233 2c2d 3130  1058.62 2123,-10\n+00020310: 3831 2e32 3220 3231 3233 2c2d 3931 302e  81.22 2123,-910.\n+00020320: 3632 2032 3132 332c 2d39 3130 2e36 3220  62 2123,-910.62 \n+00020330: 3231 3233 2c2d 3931 302e 3632 2032 3132  2123,-910.62 212\n+00020340: 332c 2d36 3537 2e31 3420 3231 3233 2c2d  3,-657.14 2123,-\n+00020350: 3537 332e 3732 2032 3134 332c 2d35 3533  573.72 2143,-553\n+00020360: 2e39 3420 3231 3433 2c2d 3437 302e 3533  .94 2143,-470.53\n+00020370: 2032 3134 332c 2d34 3730 2e35 3320 3231   2143,-470.53 21\n+00020380: 3433 2c2d 3437 302e 3533 2032 3134 332c  43,-470.53 2143,\n+00020390: 2d34 3035 2e36 3620 3231 3433 2c2d 3336  -405.66 2143,-36\n+000203a0: 302e 3336 2032 3130 322e 3638 2c2d 3332  0.36 2102.68,-32\n+000203b0: 312e 3036 2032 3037 352e 3134 2c2d 3239  1.06 2075.14,-29\n+000203c0: 392e 3531 222f 3e0a 3c70 6f6c 7967 6f6e  9.51\"/>.<polygon\n+000203d0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000203e0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000203f0: 2070 6f69 6e74 733d 2232 3037 372e 3135   points=\"2077.15\n+00020400: 2c2d 3239 362e 3634 2032 3036 372e 3036  ,-296.64 2067.06\n+00020410: 2c2d 3239 332e 3420 3230 3732 2e39 322c  ,-293.4 2072.92,\n+00020420: 2d33 3032 2e32 3220 3230 3737 2e31 352c  -302.22 2077.15,\n+00020430: 2d32 3936 2e36 3422 2f3e 0a3c 2f67 3e0a  -296.64\"/>.</g>.\n+00020440: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00020450: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n+00020460: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00020470: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+00020480: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00020490: 3231 3722 2063 6c61 7373 3d22 6564 6765  217\" class=\"edge\n+000204a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000204b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+000204c0: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n+000204d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+000204e0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n+000204f0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00020500: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00020510: 2064 3d22 4d31 3534 392e 3935 2c2d 3131   d=\"M1549.95,-11\n+00020520: 3538 2e37 3543 3134 3830 2e32 372c 2d31  58.75C1480.27,-1\n+00020530: 3135 342e 3031 2031 3333 312c 2d31 3133  154.01 1331,-113\n+00020540: 322e 3632 2031 3333 312c 2d31 3033 362e  2.62 1331,-1036.\n+00020550: 3336 2031 3333 312c 2d31 3033 362e 3336  36 1331,-1036.36\n+00020560: 2031 3333 312c 2d31 3033 362e 3336 2031   1331,-1036.36 1\n+00020570: 3333 312c 2d39 3731 2e34 3920 3133 3331  331,-971.49 1331\n+00020580: 2c2d 3933 362e 3632 2031 3333 302e 3434  ,-936.62 1330.44\n+00020590: 2c2d 3932 322e 3736 2031 3335 332c 2d38  ,-922.76 1353,-8\n+000205a0: 3936 2e31 3820 3133 3736 2e39 332c 2d38  96.18 1376.93,-8\n+000205b0: 3637 2e39 3920 3134 3038 2e33 312c 2d38  67.99 1408.31,-8\n+000205c0: 3931 2e34 3820 3134 3238 2c2d 3836 302e  91.48 1428,-860.\n+000205d0: 3138 2031 3434 302e 3334 2c2d 3834 302e  18 1440.34,-840.\n+000205e0: 3537 2031 3432 322e 3133 2c2d 3831 372e  57 1422.13,-817.\n+000205f0: 3638 2031 3430 352e 3331 2c2d 3830 322e  68 1405.31,-802.\n+00020600: 3333 222f 3e0a 3c70 6f6c 7967 6f6e 2066  33\"/>.<polygon f\n+00020610: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00020620: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00020630: 6f69 6e74 733d 2231 3430 372e 3138 2c2d  oints=\"1407.18,-\n+00020640: 3739 392e 3331 2031 3339 372e 3331 2c2d  799.31 1397.31,-\n+00020650: 3739 352e 3435 2031 3430 322e 3631 2c2d  795.45 1402.61,-\n+00020660: 3830 342e 3632 2031 3430 372e 3138 2c2d  804.62 1407.18,-\n+00020670: 3739 392e 3331 222f 3e0a 3c2f 673e 0a3c  799.31\"/>.</g>.<\n+00020680: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00020690: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n+000206a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000206b0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n+000206c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+000206d0: 3136 2220 636c 6173 733d 2265 6467 6522  16\" class=\"edge\"\n+000206e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000206f0: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n+00020700: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n+00020710: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n+00020720: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061  ndom</title>.<pa\n+00020730: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00020740: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n+00020750: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00020760: 352c 3222 2064 3d22 4d31 3535 302e 3437  5,2\" d=\"M1550.47\n+00020770: 2c2d 3131 3538 2e31 3343 3134 3638 2e38  ,-1158.13C1468.8\n+00020780: 342c 2d31 3135 332e 3039 2031 3236 362e  4,-1153.09 1266.\n+00020790: 3136 2c2d 3131 3338 2e32 3120 3132 3034  16,-1138.21 1204\n+000207a0: 2c2d 3131 3131 2e36 3620 3131 3931 2e32  ,-1111.66 1191.2\n+000207b0: 342c 2d31 3130 362e 3231 2038 3234 2e35  4,-1106.21 824.5\n+000207c0: 332c 2d38 3038 2e32 3520 3831 362c 2d37  3,-808.25 816,-7\n+000207d0: 3937 2e33 3120 3739 372e 3034 2c2d 3737  97.31 797.04,-77\n+000207e0: 332e 3032 2037 3035 2e36 362c 2d35 3735  3.02 705.66,-575\n+000207f0: 2e39 3220 3639 392c 2d35 3435 2e38 3320  .92 699,-545.83 \n+00020800: 3639 362e 3432 2c2d 3533 342e 3137 2036  696.42,-534.17 6\n+00020810: 3935 2e33 332c 2d35 3330 2e33 3220 3639  95.33,-530.32 69\n+00020820: 392c 2d35 3138 2e39 3620 3730 352e 3037  9,-518.96 705.07\n+00020830: 2c2d 3530 302e 3138 2037 3136 2e31 322c  ,-500.18 716.12,\n+00020840: 2d35 3030 2e35 3920 3732 352c 2d34 3832  -500.59 725,-482\n+00020850: 2e39 3620 3735 302e 392c 2d34 3331 2e35  .96 750.9,-431.5\n+00020860: 3620 3735 312e 3032 2c2d 3431 342e 3536  6 751.02,-414.56\n+00020870: 2037 3536 2c2d 3335 372e 3232 2037 3537   756,-357.22 757\n+00020880: 2e35 322c 2d33 3339 2e36 3820 3735 372e  .52,-339.68 757.\n+00020890: 3137 2c2d 3331 392e 3735 2037 3536 2e34  17,-319.75 756.4\n+000208a0: 392c 2d33 3034 2e38 3122 2f3e 0a3c 706f  9,-304.81\"/>.<po\n+000208b0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163  lygon fill=\"blac\n+000208c0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b  k\" stroke=\"black\n+000208d0: 2220 706f 696e 7473 3d22 3735 392e 3936  \" points=\"759.96\n+000208e0: 2c2d 3330 342e 3237 2037 3535 2e39 332c  ,-304.27 755.93,\n+000208f0: 2d32 3934 2e34 3720 3735 322e 3937 2c2d  -294.47 752.97,-\n+00020900: 3330 342e 3634 2037 3539 2e39 362c 2d33  304.64 759.96,-3\n+00020910: 3034 2e32 3722 2f3e 0a3c 2f67 3e0a 3c21  04.27\"/>.</g>.<!\n+00020920: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00020930: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+00020940: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00020950: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00020960: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c  forces_awh -->.<\n+00020970: 6720 6964 3d22 6564 6765 3232 3522 2063  g id=\"edge225\" c\n+00020980: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00020990: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000209a0: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n+000209b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000209c0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+000209d0: 5f66 6f72 6365 735f 6177 683c 2f74 6974  _forces_awh</tit\n+000209e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000209f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00020a00: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+00020a10: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00020a20: 224d 3136 3136 2e38 312c 2d31 3135 352e  \"M1616.81,-1155.\n+00020a30: 3139 4331 3637 322e 3738 2c2d 3131 3434  19C1672.78,-1144\n+00020a40: 2e35 3520 3137 3833 2c2d 3131 3133 2e37  .55 1783,-1113.7\n+00020a50: 3820 3137 3833 2c2d 3130 3336 2e33 3620  8 1783,-1036.36 \n+00020a60: 3137 3833 2c2d 3130 3336 2e33 3620 3137  1783,-1036.36 17\n+00020a70: 3833 2c2d 3130 3336 2e33 3620 3137 3833  83,-1036.36 1783\n+00020a80: 2c2d 3930 382e 3632 2031 3738 332c 2d38  ,-908.62 1783,-8\n+00020a90: 3435 2e38 3320 3137 3432 2e38 342c 2d38  45.83 1742.84,-8\n+00020aa0: 3339 2e31 3320 3136 3936 2c2d 3739 372e  39.13 1696,-797.\n+00020ab0: 3331 2031 3638 332e 3337 2c2d 3738 362e  31 1683.37,-786.\n+00020ac0: 3034 2031 3638 312e 3235 2c2d 3738 322e  04 1681.25,-782.\n+00020ad0: 3132 2031 3636 392c 2d37 3730 2e34 3420  12 1669,-770.44 \n+00020ae0: 3136 3538 2e31 382c 2d37 3630 2e31 3220  1658.18,-760.12 \n+00020af0: 3136 3435 2e38 372c 2d37 3438 2e38 3420  1645.87,-748.84 \n+00020b00: 3136 3335 2e38 332c 2d37 3339 2e37 3622  1635.83,-739.76\"\n+00020b10: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00020b20: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00020b30: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00020b40: 7473 3d22 3136 3338 2e31 322c 2d37 3337  ts=\"1638.12,-737\n+00020b50: 2e31 3120 3136 3238 2e33 352c 2d37 3333  .11 1628.35,-733\n+00020b60: 2e30 3220 3136 3333 2e34 332c 2d37 3432  .02 1633.43,-742\n+00020b70: 2e33 3120 3136 3338 2e31 322c 2d37 3337  .31 1638.12,-737\n+00020b80: 2e31 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .11\"/>.</g>.<!--\n+00020b90: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00020ba0: 6163 735f 6669 6c65 696f 2623 3435 3b26  acs_fileio&#45;&\n+00020bb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00020bc0: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n+00020bd0: 3e0a 3c67 2069 643d 2265 6467 6532 3239  >.<g id=\"edge229\n+00020be0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00020bf0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00020c00: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+00020c10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00020c20: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00020c30: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+00020c40: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00020c50: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00020c60: 3335 372e 3237 2c2d 3738 382e 3332 4331  357.27,-788.32C1\n+00020c70: 3330 342e 3532 2c2d 3739 352e 3036 2031  304.52,-795.06 1\n+00020c80: 3138 372e 3137 2c2d 3831 312e 3331 2031  187.17,-811.31 1\n+00020c90: 3135 332c 2d38 3333 2e33 3120 3131 3033  153,-833.31 1103\n+00020ca0: 2e33 2c2d 3836 352e 3331 2031 3034 362e  .3,-865.31 1046.\n+00020cb0: 3037 2c2d 3130 3135 2e38 3320 3939 372c  07,-1015.83 997,\n+00020cc0: 2d31 3034 382e 3739 2039 3731 2e31 332c  -1048.79 971.13,\n+00020cd0: 2d31 3036 362e 3137 2038 3837 2e33 362c  -1066.17 887.36,\n+00020ce0: 2d31 3038 322e 3436 2038 3334 2e32 342c  -1082.46 834.24,\n+00020cf0: 2d31 3039 3122 2f3e 0a3c 706f 6c79 676f  -1091\"/>.<polygo\n+00020d00: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+00020d10: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+00020d20: 3d22 3833 332e 3339 2c2d 3130 3837 2e35  =\"833.39,-1087.5\n+00020d30: 3920 3832 342e 3035 2c2d 3130 3932 2e36  9 824.05,-1092.6\n+00020d40: 3120 3833 342e 3438 2c2d 3130 3934 2e35  1 834.48,-1094.5\n+00020d50: 3120 3833 332e 3339 2c2d 3130 3837 2e35  1 833.39,-1087.5\n+00020d60: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  9\"/>.</g>.<!-- m\n+00020d70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00020d80: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n+00020d90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00020da0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n+00020db0: 6720 6964 3d22 6564 6765 3233 3122 2063  g id=\"edge231\" c\n+00020dc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00020dd0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00020de0: 726f 6d61 6373 5f66 696c 6569 6f26 2334  romacs_fileio&#4\n+00020df0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00020e00: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c  _gromacs_gmxlib<\n+00020e10: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00020e20: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00020e30: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00020e40: 3335 352e 3833 2c2d 3738 352e 3743 3132  355.83,-785.7C12\n+00020e50: 3932 2e38 362c 2d37 3838 2e31 3820 3131  92.86,-788.18 11\n+00020e60: 3332 2e35 2c2d 3739 372e 3736 2031 3030  32.5,-797.76 100\n+00020e70: 342c 2d38 3333 2e33 3120 3937 352e 3739  4,-833.31 975.79\n+00020e80: 2c2d 3834 312e 3132 2039 3032 2e35 2c2d  ,-841.12 902.5,-\n+00020e90: 3837 352e 3033 2038 3631 2e32 372c 2d38  875.03 861.27,-8\n+00020ea0: 3934 2e35 3822 2f3e 0a3c 706f 6c79 676f  94.58\"/>.<polygo\n+00020eb0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00020ec0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00020ed0: 2220 706f 696e 7473 3d22 3835 392e 3534  \" points=\"859.54\n+00020ee0: 2c2d 3839 312e 3533 2038 3532 2e30 322c  ,-891.53 852.02,\n+00020ef0: 2d38 3938 2e39 3920 3836 322e 3535 2c2d  -898.99 862.55,-\n+00020f00: 3839 372e 3835 2038 3539 2e35 342c 2d38  897.85 859.54,-8\n+00020f10: 3931 2e35 3322 2f3e 0a3c 2f67 3e0a 3c21  91.53\"/>.</g>.<!\n+00020f20: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00020f30: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00020f40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00020f50: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00020f60: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+00020f70: 6564 6765 3233 3222 2063 6c61 7373 3d22  edge232\" class=\"\n+00020f80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00020f90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00020fa0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+00020fb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00020fc0: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n+00020fd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00020fe0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00020ff0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00021000: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00021010: 2220 643d 224d 3133 3738 2e37 362c 2d37  \" d=\"M1378.76,-7\n+00021020: 3730 2e35 3643 3133 3735 2e38 352c 2d37  70.56C1375.85,-7\n+00021030: 3439 2e39 3120 3133 3735 2e34 372c 2d37  49.91 1375.47,-7\n+00021040: 3038 2e30 3220 3133 3737 2e36 332c 2d36  08.02 1377.63,-6\n+00021050: 3831 2e38 3922 2f3e 0a3c 706f 6c79 676f  81.89\"/>.<polygo\n+00021060: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00021070: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00021080: 2220 706f 696e 7473 3d22 3133 3831 2e31  \" points=\"1381.1\n+00021090: 332c 2d36 3832 2e30 3920 3133 3738 2e37  3,-682.09 1378.7\n+000210a0: 312c 2d36 3731 2e37 3720 3133 3734 2e31  1,-671.77 1374.1\n+000210b0: 372c 2d36 3831 2e33 3420 3133 3831 2e31  7,-681.34 1381.1\n+000210c0: 332c 2d36 3832 2e30 3922 2f3e 0a3c 2f67  3,-682.09\"/>.</g\n+000210d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+000210e0: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+000210f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00021100: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+00021110: 6174 202d 2d3e 0a3c 6720 6964 3d22 6564  at -->.<g id=\"ed\n+00021120: 6765 3233 3422 2063 6c61 7373 3d22 6564  ge234\" class=\"ed\n+00021130: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00021140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00021150: 696c 6569 6f26 2334 353b 2667 743b 6d6f  ileio&#45;&gt;mo\n+00021160: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021170: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a  _compat</title>.\n+00021180: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00021190: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+000211a0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+000211b0: 7261 793d 2235 2c32 2220 643d 224d 3134  ray=\"5,2\" d=\"M14\n+000211c0: 3032 2e35 322c 2d37 3734 2e34 3943 3134  02.52,-774.49C14\n+000211d0: 3838 2e30 322c 2d37 3337 2e35 3820 3138  88.02,-737.58 18\n+000211e0: 3236 2e34 342c 2d35 3839 2e34 3420 3138  26.44,-589.44 18\n+000211f0: 3533 2c2d 3534 352e 3833 2031 3838 302e  53,-545.83 1880.\n+00021200: 3638 2c2d 3530 302e 3337 2031 3737 362e  68,-500.37 1776.\n+00021210: 3136 2c2d 3335 352e 3238 2031 3733 352e  16,-355.28 1735.\n+00021220: 3532 2c2d 3330 312e 3839 222f 3e0a 3c70  52,-301.89\"/>.<p\n+00021230: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00021240: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00021250: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+00021260: 3733 382e 3233 2c2d 3239 392e 3636 2031  738.23,-299.66 1\n+00021270: 3732 392e 3336 2c2d 3239 332e 3835 2031  729.36,-293.85 1\n+00021280: 3733 322e 3637 2c2d 3330 332e 3932 2031  732.67,-303.92 1\n+00021290: 3733 382e 3233 2c2d 3239 392e 3636 222f  738.23,-299.66\"/\n+000212a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000212b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+000212c0: 696c 6569 6f26 2334 353b 2667 743b 6d6f  ileio&#45;&gt;mo\n+000212d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000212e0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+000212f0: 7220 2d2d 3e0a 3c67 2069 643d 2265 6467  r -->.<g id=\"edg\n+00021300: 6532 3333 2220 636c 6173 733d 2265 6467  e233\" class=\"edg\n+00021310: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00021320: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00021330: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64  leio&#45;&gt;mod\n+00021340: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00021350: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+00021360: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00021370: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00021380: 653d 2272 6564 2220 643d 224d 3133 3535  e=\"red\" d=\"M1355\n+00021390: 2e39 332c 2d37 3832 2e32 3243 3132 3731  .93,-782.22C1271\n+000213a0: 2e36 342c 2d37 3739 2e37 2031 3031 362e  .64,-779.7 1016.\n+000213b0: 3339 2c2d 3736 392e 3032 2039 3433 2c2d  39,-769.02 943,-\n+000213c0: 3733 342e 3434 2038 3730 2e32 382c 2d37  734.44 870.28,-7\n+000213d0: 3030 2e31 3820 3836 342e 3133 2c2d 3637  00.18 864.13,-67\n+000213e0: 302e 3732 2038 3133 2c2d 3630 382e 3720  0.72 813,-608.7 \n+000213f0: 3739 392e 3038 2c2d 3539 312e 3832 2037  799.08,-591.82 7\n+00021400: 3835 2e37 2c2d 3537 302e 3833 2037 3737  85.7,-570.83 777\n+00021410: 2e39 332c 2d35 3535 2e33 222f 3e0a 3c70  .93,-555.3\"/>.<p\n+00021420: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+00021430: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+00021440: 6f69 6e74 733d 2237 3831 2e30 322c 2d35  oints=\"781.02,-5\n+00021450: 3533 2e36 3320 3737 332e 3639 2c2d 3534  53.63 773.69,-54\n+00021460: 352e 3938 2037 3734 2e36 352c 2d35 3536  5.98 774.65,-556\n+00021470: 2e35 3320 3738 312e 3032 2c2d 3535 332e  .53 781.02,-553.\n+00021480: 3633 222f 3e0a 3c2f 673e 0a3c 212d 2d20  63\"/>.</g>.<!-- \n+00021490: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000214a0: 6373 5f66 696c 6569 6f26 2334 353b 2667  cs_fileio&#45;&g\n+000214b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000214c0: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a  macs_mdspan -->.\n+000214d0: 3c67 2069 643d 2265 6467 6532 3330 2220  <g id=\"edge230\" \n+000214e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000214f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00021500: 6772 6f6d 6163 735f 6669 6c65 696f 2623  gromacs_fileio&#\n+00021510: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00021520: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n+00021530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00021540: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00021550: 653d 2272 6564 2220 643d 224d 3134 3039  e=\"red\" d=\"M1409\n+00021560: 2e39 342c 2d37 3832 2e30 3843 3135 3539  .94,-782.08C1559\n+00021570: 2e36 382c 2d37 3737 2e33 3220 3232 3833  .68,-777.32 2283\n+00021580: 2c2d 3734 392e 3633 2032 3238 332c 2d36  ,-749.63 2283,-6\n+00021590: 3539 2e31 3420 3232 3833 2c2d 3635 392e  59.14 2283,-659.\n+000215a0: 3134 2032 3238 332c 2d36 3539 2e31 3420  14 2283,-659.14 \n+000215b0: 3232 3833 2c2d 3436 382e 3533 2032 3238  2283,-468.53 228\n+000215c0: 332c 2d33 3835 2e34 3220 3232 3935 2c2d  3,-385.42 2295,-\n+000215d0: 3336 352e 3032 2032 3239 352c 2d32 3831  365.02 2295,-281\n+000215e0: 2e39 3220 3232 3935 2c2d 3238 312e 3932  .92 2295,-281.92\n+000215f0: 2032 3239 352c 2d32 3831 2e39 3220 3232   2295,-281.92 22\n+00021600: 3935 2c2d 3135 342e 3138 2032 3239 352c  95,-154.18 2295,\n+00021610: 2d31 3135 2e37 3220 3232 3733 2e39 382c  -115.72 2273.98,\n+00021620: 2d37 352e 3132 2032 3235 392e 322c 2d35  -75.12 2259.2,-5\n+00021630: 312e 3331 222f 3e0a 3c70 6f6c 7967 6f6e  1.31\"/>.<polygon\n+00021640: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+00021650: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+00021660: 2232 3236 322e 3036 2c2d 3439 2e32 3920  \"2262.06,-49.29 \n+00021670: 3232 3533 2e37 312c 2d34 322e 3737 2032  2253.71,-42.77 2\n+00021680: 3235 362e 3137 2c2d 3533 2e30 3720 3232  256.17,-53.07 22\n+00021690: 3632 2e30 362c 2d34 392e 3239 222f 3e0a  62.06,-49.29\"/>.\n+000216a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000216b0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+000216c0: 6569 6f26 2334 353b 2667 743b 6d6f 6475  eio&#45;&gt;modu\n+000216d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+000216e0: 7261 6a65 6374 6f72 7920 2d2d 3e0a 3c67  rajectory -->.<g\n+000216f0: 2069 643d 2265 6467 6532 3335 2220 636c   id=\"edge235\" cl\n+00021700: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00021710: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00021720: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00021730: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00021740: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+00021750: 7279 3c2f 7469 746c 653e 0a3c 7061 7468  ry</title>.<path\n+00021760: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00021770: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00021780: 224d 3134 3038 2e33 2c2d 3737 382e 3736  \"M1408.3,-778.76\n+00021790: 4331 3435 362e 3037 2c2d 3737 302e 3839  C1456.07,-770.89\n+000217a0: 2031 3536 322e 3737 2c2d 3735 322e 3835   1562.77,-752.85\n+000217b0: 2031 3635 322c 2d37 3334 2e34 3420 3138   1652,-734.44 18\n+000217c0: 3138 2e38 312c 2d37 3030 2e30 3320 3138  18.81,-700.03 18\n+000217d0: 3932 2e39 2c2d 3732 382e 3436 2032 3031  92.9,-728.46 201\n+000217e0: 342c 2d36 3038 2e37 2032 3038 352e 3034  4,-608.7 2085.04\n+000217f0: 2c2d 3533 382e 3435 2032 3038 342e 3332  ,-538.45 2084.32\n+00021800: 2c2d 3439 322e 3932 2032 3037 382c 2d33  ,-492.92 2078,-3\n+00021810: 3933 2e32 3220 3230 3736 2e32 322c 2d33  93.22 2076.22,-3\n+00021820: 3635 2e31 3120 3230 3737 2e32 322c 2d33  65.11 2077.22,-3\n+00021830: 3537 2e35 3820 3230 3730 2c2d 3333 302e  57.58 2070,-330.\n+00021840: 3335 2032 3036 372e 3631 2c2d 3332 312e  35 2067.61,-321.\n+00021850: 3335 2032 3036 332e 3934 2c2d 3331 312e  35 2063.94,-311.\n+00021860: 3820 3230 3630 2e33 392c 2d33 3033 2e35  8 2060.39,-303.5\n+00021870: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+00021880: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00021890: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+000218a0: 696e 7473 3d22 3230 3633 2e35 322c 2d33  ints=\"2063.52,-3\n+000218b0: 3032 2e30 3120 3230 3536 2e32 312c 2d32  02.01 2056.21,-2\n+000218c0: 3934 2e33 3420 3230 3537 2e31 342c 2d33  94.34 2057.14,-3\n+000218d0: 3034 2e39 2032 3036 332e 3532 2c2d 3330  04.9 2063.52,-30\n+000218e0: 322e 3031 222f 3e0a 3c2f 673e 0a3c 212d  2.01\"/>.</g>.<!-\n+000218f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00021900: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n+00021910: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00021920: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+00021930: 6f72 6365 735f 6177 6820 2d2d 3e0a 3c67  orces_awh -->.<g\n+00021940: 2069 643d 2265 6467 6532 3238 2220 636c   id=\"edge228\" cl\n+00021950: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00021960: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00021970: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00021980: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00021990: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+000219a0: 666f 7263 6573 5f61 7768 3c2f 7469 746c  forces_awh</titl\n+000219b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000219c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+000219d0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+000219e0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+000219f0: 4d31 3430 352e 3236 2c2d 3737 362e 3135  M1405.26,-776.15\n+00021a00: 4331 3433 392e 3939 2c2d 3736 372e 3136  C1439.99,-767.16\n+00021a10: 2031 3530 382e 322c 2d37 3530 2e34 3920   1508.2,-750.49 \n+00021a20: 3135 3636 2c2d 3733 342e 3434 2031 3537  1566,-734.44 157\n+00021a30: 302e 3938 2c2d 3733 332e 3036 2031 3537  0.98,-733.06 157\n+00021a40: 362e 3237 2c2d 3733 312e 3531 2031 3538  6.27,-731.51 158\n+00021a50: 312e 3533 2c2d 3732 392e 3939 222f 3e0a  1.53,-729.99\"/>.\n+00021a60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00021a70: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00021a80: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00021a90: 2231 3538 322e 3833 2c2d 3733 332e 3236  \"1582.83,-733.26\n+00021aa0: 2031 3539 312e 3439 2c2d 3732 372e 3135   1591.49,-727.15\n+00021ab0: 2031 3538 302e 3931 2c2d 3732 362e 3533   1580.91,-726.53\n+00021ac0: 2031 3538 322e 3833 2c2d 3733 332e 3236   1582.83,-733.26\n+00021ad0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00021ae0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021af0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+00021b00: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475  module_src_testu\n+00021b10: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n+00021b20: 6564 6765 3233 3622 2063 6c61 7373 3d22  edge236\" class=\"\n+00021b30: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00021b40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021b50: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+00021b60: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475  module_src_testu\n+00021b70: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n+00021b80: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00021b90: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00021ba0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00021bb0: 3d22 352c 3222 2064 3d22 4d31 3431 302e  =\"5,2\" d=\"M1410.\n+00021bc0: 332c 2d37 3834 2e38 3843 3135 3232 2e32  3,-784.88C1522.2\n+00021bd0: 322c 2d37 3835 2e31 3920 3139 3435 2e39  2,-785.19 1945.9\n+00021be0: 2c2d 3738 392e 3320 3230 3731 2c2d 3833  ,-789.3 2071,-83\n+00021bf0: 332e 3331 2032 3231 382e 322c 2d38 3835  3.31 2218.2,-885\n+00021c00: 2e31 2032 3335 322e 3835 2c2d 3130 3235  .1 2352.85,-1025\n+00021c10: 2e36 2032 3339 392e 3036 2c2d 3130 3737  .6 2399.06,-1077\n+00021c20: 2e35 3622 2f3e 0a3c 706f 6c79 676f 6e20  .56\"/>.<polygon \n+00021c30: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00021c40: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00021c50: 706f 696e 7473 3d22 3233 3936 2e34 372c  points=\"2396.47,\n+00021c60: 2d31 3037 392e 3932 2032 3430 352e 372c  -1079.92 2405.7,\n+00021c70: 2d31 3038 352e 3131 2032 3430 312e 3732  -1085.11 2401.72\n+00021c80: 2c2d 3130 3735 2e32 3920 3233 3936 2e34  ,-1075.29 2396.4\n+00021c90: 372c 2d31 3037 392e 3932 222f 3e0a 3c2f  7,-1079.92\"/>.</\n+00021ca0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00021cb0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+00021cc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00021cd0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00021ce0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n+00021cf0: 6467 6532 3432 2220 636c 6173 733d 2265  dge242\" class=\"e\n+00021d00: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00021d10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00021d20: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n+00021d30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021d40: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+00021d50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00021d60: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n+00021d70: 643d 224d 3638 302e 3231 2c2d 3431 392e  d=\"M680.21,-419.\n+00021d80: 3535 4336 3730 2e30 332c 2d34 3238 2e36  55C670.03,-428.6\n+00021d90: 3720 3635 342e 3335 2c2d 3434 322e 3033  7 654.35,-442.03\n+00021da0: 2036 3433 2c2d 3435 362e 3039 2036 3334   643,-456.09 634\n+00021db0: 2e34 312c 2d34 3636 2e37 3320 3633 372e  .41,-466.73 637.\n+00021dc0: 3135 2c2d 3437 322e 3739 2036 3238 2c2d  15,-472.79 628,-\n+00021dd0: 3438 322e 3936 2036 3039 2e34 342c 2d35  482.96 609.44,-5\n+00021de0: 3033 2e35 3920 3539 312e 3232 2c2d 3439  03.59 591.22,-49\n+00021df0: 352e 3133 2035 3737 2c2d 3531 382e 3936  5.13 577,-518.96\n+00021e00: 2034 3736 2e34 362c 2d36 3837 2e34 3420   476.46,-687.44 \n+00021e10: 3531 372e 3336 2c2d 3937 312e 3537 2035  517.36,-971.57 5\n+00021e20: 3234 2c2d 3938 352e 3932 2035 3631 2e36  24,-985.92 561.6\n+00021e30: 352c 2d31 3036 372e 3331 2036 3735 2e34  5,-1067.31 675.4\n+00021e40: 362c 2d31 3038 392e 3435 2037 3431 2e31  6,-1089.45 741.1\n+00021e50: 332c 2d31 3039 352e 3331 222f 3e0a 3c70  3,-1095.31\"/>.<p\n+00021e60: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+00021e70: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+00021e80: 6f69 6e74 733d 2237 3430 2e39 392c 2d31  oints=\"740.99,-1\n+00021e90: 3039 382e 3831 2037 3531 2e32 342c 2d31  098.81 751.24,-1\n+00021ea0: 3039 362e 3131 2037 3431 2e35 352c 2d31  096.11 741.55,-1\n+00021eb0: 3039 312e 3833 2037 3430 2e39 392c 2d31  091.83 740.99,-1\n+00021ec0: 3039 382e 3831 222f 3e0a 3c2f 673e 0a3c  098.81\"/>.</g>.<\n+00021ed0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00021ee0: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n+00021ef0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00021f00: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n+00021f10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3234  ->.<g id=\"edge24\n+00021f20: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00021f30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00021f40: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+00021f50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00021f60: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n+00021f70: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+00021f80: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00021f90: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00021fa0: 224d 3639 382e 3137 2c2d 3431 392e 3537  \"M698.17,-419.57\n+00021fb0: 4337 3034 2e30 372c 2d34 3334 2e35 3620  C704.07,-434.56 \n+00021fc0: 3730 382e 3037 2c2d 3436 3120 3730 332c  708.07,-461 703,\n+00021fd0: 2d34 3832 2e39 3620 3730 302e 3538 2c2d  -482.96 700.58,-\n+00021fe0: 3439 332e 3435 2036 3138 2c2d 3634 362e  493.45 618,-646.\n+00021ff0: 3337 2036 3138 2c2d 3635 372e 3134 2036  37 618,-657.14 6\n+00022000: 3138 2c2d 3732 322e 3031 2036 3138 2c2d  18,-722.01 618,-\n+00022010: 3732 322e 3031 2036 3138 2c2d 3732 322e  722.01 618,-722.\n+00022020: 3031 2036 3138 2c2d 3831 372e 3431 2037  01 618,-817.41 7\n+00022030: 3339 2e35 322c 2d38 3733 2e36 3520 3739  39.52,-873.65 79\n+00022040: 392e 3533 2c2d 3839 362e 3536 222f 3e0a  9.53,-896.56\"/>.\n+00022050: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00022060: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00022070: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00022080: 2237 3938 2e33 362c 2d38 3939 2e38 3620  \"798.36,-899.86 \n+00022090: 3830 382e 3935 2c2d 3930 302e 3038 2038  808.95,-900.08 8\n+000220a0: 3030 2e38 2c2d 3839 332e 3320 3739 382e  00.8,-893.3 798.\n+000220b0: 3336 2c2d 3839 392e 3836 222f 3e0a 3c2f  36,-899.86\"/>.</\n+000220c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000220d0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+000220e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000220f0: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00022100: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+00022110: 2265 6467 6532 3337 2220 636c 6173 733d  \"edge237\" class=\n+00022120: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00022130: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00022140: 735f 6577 616c 6426 2334 353b 2667 743b  s_ewald&#45;&gt;\n+00022150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00022160: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n+00022170: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00022180: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+00022190: 6564 2220 643d 224d 3638 322e 3937 2c2d  ed\" d=\"M682.97,-\n+000221a0: 3432 3043 3637 352e 362c 2d34 3334 2e39  420C675.6,-434.9\n+000221b0: 3820 3636 322e 3637 2c2d 3436 302e 3937  8 662.67,-460.97\n+000221c0: 2036 3531 2c2d 3438 322e 3936 2036 3234   651,-482.96 624\n+000221d0: 2e34 362c 2d35 3332 2e39 3820 3538 392c  .46,-532.98 589,\n+000221e0: 2d35 3337 2e36 3420 3538 392c 2d35 3934  -537.64 589,-594\n+000221f0: 2e32 3720 3538 392c 2d37 3232 2e30 3120  .27 589,-722.01 \n+00022200: 3538 392c 2d37 3232 2e30 3120 3538 392c  589,-722.01 589,\n+00022210: 2d37 3232 2e30 3120 3538 392c 2d38 3636  -722.01 589,-866\n+00022220: 2e35 3420 3636 312e 3131 2c2d 3930 322e  .54 661.11,-902.\n+00022230: 3320 3737 392c 2d39 3835 2e39 3220 3830  3 779,-985.92 80\n+00022240: 342e 3339 2c2d 3130 3033 2e39 3320 3833  4.39,-1003.93 83\n+00022250: 372e 3337 2c2d 3130 3136 2e33 3420 3836  7.37,-1016.34 86\n+00022260: 332e 3038 2c2d 3130 3234 2e30 3922 2f3e  3.08,-1024.09\"/>\n+00022270: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00022280: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+00022290: 2220 706f 696e 7473 3d22 3836 322e 3332  \" points=\"862.32\n+000222a0: 2c2d 3130 3237 2e35 3120 3837 322e 392c  ,-1027.51 872.9,\n+000222b0: 2d31 3032 362e 3933 2038 3634 2e32 362c  -1026.93 864.26,\n+000222c0: 2d31 3032 302e 3739 2038 3632 2e33 322c  -1020.79 862.32,\n+000222d0: 2d31 3032 372e 3531 222f 3e0a 3c2f 673e  -1027.51\"/>.</g>\n+000222e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000222f0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623  _gromacs_ewald&#\n+00022300: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00022310: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n 00022320: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00022330: 3232 3022 2063 6c61 7373 3d22 6564 6765  220\" class=\"edge\n+00022330: 3233 3922 2063 6c61 7373 3d22 6564 6765  239\" class=\"edge\n 00022340: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00022350: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-00022360: 6a65 6374 6f72 7961 6e61 6c79 7369 7326  jectoryanalysis&\n-00022370: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00022380: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79  rc_gromacs_analy\n-00022390: 7369 7364 6174 613c 2f74 6974 6c65 3e0a  sisdata</title>.\n-000223a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000223b0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-000223c0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-000223d0: 7261 793d 2235 2c32 2220 643d 224d 3132  ray=\"5,2\" d=\"M12\n-000223e0: 3730 2e36 392c 2d37 3737 2e37 3943 3133  70.69,-777.79C13\n-000223f0: 3533 2e33 362c 2d37 3730 2e32 3220 3135  53.36,-770.22 15\n-00022400: 3039 2e35 2c2d 3735 342e 3639 2031 3634  09.5,-754.69 164\n-00022410: 312e 3536 2c2d 3733 342e 3434 2031 3634  1.56,-734.44 164\n-00022420: 362e 3734 2c2d 3733 332e 3635 2031 3635  6.74,-733.65 165\n-00022430: 322e 3134 2c2d 3733 322e 3733 2031 3635  2.14,-732.73 165\n-00022440: 372e 3531 2c2d 3733 312e 3737 222f 3e0a  7.51,-731.77\"/>.\n-00022450: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00022460: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00022470: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00022480: 2231 3635 382e 3535 2c2d 3733 352e 3134  \"1658.55,-735.14\n-00022490: 2031 3636 372e 3734 2c2d 3732 392e 3837   1667.74,-729.87\n-000224a0: 2031 3635 372e 3237 2c2d 3732 382e 3235   1657.27,-728.25\n-000224b0: 2031 3635 382e 3535 2c2d 3733 352e 3134   1658.55,-735.14\n-000224c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-000224d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000224e0: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79  _trajectoryanaly\n-000224f0: 7369 7326 2334 353b 2667 743b 6d6f 6475  sis&#45;&gt;modu\n-00022500: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00022510: 6d78 7072 6570 726f 6365 7373 202d 2d3e  mxpreprocess -->\n-00022520: 0a3c 6720 6964 3d22 6564 6765 3232 3322  .<g id=\"edge223\"\n-00022530: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00022540: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00022550: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n-00022560: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n-00022570: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00022580: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-00022590: 6365 7373 3c2f 7469 746c 653e 0a3c 7061  cess</title>.<pa\n-000225a0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000225b0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-000225c0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000225d0: 3d22 352c 3222 2064 3d22 4d31 3237 362e  =\"5,2\" d=\"M1276.\n-000225e0: 3839 2c2d 3738 362e 3132 4331 3430 392e  89,-786.12C1409.\n-000225f0: 3238 2c2d 3738 392e 3336 2031 3730 322e  28,-789.36 1702.\n-00022600: 3431 2c2d 3830 302e 3232 2031 3733 322e  41,-800.22 1732.\n-00022610: 3536 2c2d 3833 332e 3331 2031 3834 322e  56,-833.31 1842.\n-00022620: 3938 2c2d 3935 342e 3439 2031 3532 312e  98,-954.49 1521.\n-00022630: 3634 2c2d 3839 362e 3933 2031 3431 352e  64,-896.93 1415.\n-00022640: 3536 2c2d 3130 3231 2e39 3220 3134 3033  56,-1021.92 1403\n-00022650: 2e30 312c 2d31 3033 362e 3731 2031 3339  .01,-1036.71 139\n-00022660: 372c 2d31 3035 382e 3133 2031 3339 342e  7,-1058.13 1394.\n-00022670: 3134 2c2d 3130 3734 2e33 3522 2f3e 0a3c  14,-1074.35\"/>.<\n-00022680: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00022690: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-000226a0: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-000226b0: 3133 3930 2e36 322c 2d31 3037 342e 3139  1390.62,-1074.19\n-000226c0: 2031 3339 322e 3631 2c2d 3130 3834 2e36   1392.61,-1084.6\n-000226d0: 2031 3339 372e 3534 2c2d 3130 3735 2e32   1397.54,-1075.2\n-000226e0: 3220 3133 3930 2e36 322c 2d31 3037 342e  2 1390.62,-1074.\n-000226f0: 3139 222f 3e0a 3c2f 673e 0a3c 212d 2d20  19\"/>.</g>.<!-- \n-00022700: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022710: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-00022720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022730: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n-00022740: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22  ware -->.<g id=\"\n-00022750: 6564 6765 3233 3122 2063 6c61 7373 3d22  edge231\" class=\"\n-00022760: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00022770: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00022780: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n-00022790: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000227a0: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-000227b0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n-000227c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000227d0: 6f6b 653d 2272 6564 2220 643d 224d 3139  oke=\"red\" d=\"M19\n-000227e0: 3135 2e30 392c 2d39 3835 2e39 3343 3139  15.09,-985.93C19\n-000227f0: 3231 2e32 352c 2d31 3031 332e 3033 2031  21.25,-1013.03 1\n-00022800: 3933 392e 3633 2c2d 3130 3737 2e36 3620  939.63,-1077.66 \n-00022810: 3139 3830 2e35 362c 2d31 3131 312e 3636  1980.56,-1111.66\n-00022820: 2031 3938 352e 3739 2c2d 3131 3136 2e30   1985.79,-1116.0\n-00022830: 3120 3230 3634 2e32 362c 2d31 3133 362e  1 2064.26,-1136.\n-00022840: 3933 2032 3131 332e 372c 2d31 3134 392e  93 2113.7,-1149.\n-00022850: 3831 222f 3e0a 3c70 6f6c 7967 6f6e 2066  81\"/>.<polygon f\n-00022860: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n-00022870: 3d22 7265 6422 2070 6f69 6e74 733d 2232  =\"red\" points=\"2\n-00022880: 3131 322e 3931 2c2d 3131 3533 2e32 3220  112.91,-1153.22 \n-00022890: 3231 3233 2e34 372c 2d31 3135 322e 3335  2123.47,-1152.35\n-000228a0: 2032 3131 342e 3637 2c2d 3131 3436 2e34   2114.67,-1146.4\n-000228b0: 3520 3231 3132 2e39 312c 2d31 3135 332e  5 2112.91,-1153.\n-000228c0: 3232 222f 3e0a 3c2f 673e 0a3c 212d 2d20  22\"/>.</g>.<!-- \n-000228d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000228e0: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-000228f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022900: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-00022910: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n-00022920: 6467 6532 3237 2220 636c 6173 733d 2265  dge227\" class=\"e\n-00022930: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00022940: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00022950: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n-00022960: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00022970: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-00022980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00022990: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000229a0: 653d 2272 6564 2220 643d 224d 3138 3636  e=\"red\" d=\"M1866\n-000229b0: 2e35 342c 2d39 3636 2e36 3943 3138 3035  .54,-966.69C1805\n-000229c0: 2e39 392c 2d39 3537 2e36 3220 3137 3031  .99,-957.62 1701\n-000229d0: 2e37 342c 2d39 3331 2e39 3120 3136 3534  .74,-931.91 1654\n-000229e0: 2e35 362c 2d38 3630 2e31 3820 3136 3335  .56,-860.18 1635\n-000229f0: 2e35 342c 2d38 3331 2e32 3620 3136 3739  .54,-831.26 1679\n-00022a00: 2e34 312c 2d38 3038 2e38 3820 3137 3134  .41,-808.88 1714\n-00022a10: 2e34 362c 2d37 3936 2e32 3922 2f3e 0a3c  .46,-796.29\"/>.<\n-00022a20: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n-00022a30: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n-00022a40: 706f 696e 7473 3d22 3137 3135 2e37 332c  points=\"1715.73,\n-00022a50: 2d37 3939 2e35 3520 3137 3234 2e30 362c  -799.55 1724.06,\n-00022a60: 2d37 3933 2031 3731 332e 3436 2c2d 3739  -793 1713.46,-79\n-00022a70: 322e 3933 2031 3731 352e 3733 2c2d 3739  2.93 1715.73,-79\n-00022a80: 392e 3535 222f 3e0a 3c2f 673e 0a3c 212d  9.55\"/>.</g>.<!-\n-00022a90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00022aa0: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n-00022ab0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00022ac0: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-00022ad0: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069  u_utils -->.<g i\n-00022ae0: 643d 2265 6467 6532 3238 2220 636c 6173  d=\"edge228\" clas\n-00022af0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00022b00: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00022b10: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-00022b20: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00022b30: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-00022b40: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c  _utils</title>.<\n-00022b50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00022b60: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n-00022b70: 224d 3139 3234 2e31 362c 2d39 3835 2e37  \"M1924.16,-985.7\n-00022b80: 3543 3139 3434 2e34 352c 2d31 3030 372e  5C1944.45,-1007.\n-00022b90: 3231 2031 3938 362e 3534 2c2d 3130 3531  21 1986.54,-1051\n-00022ba0: 2e37 3320 3230 3130 2e39 352c 2d31 3037  .73 2010.95,-107\n-00022bb0: 372e 3535 222f 3e0a 3c70 6f6c 7967 6f6e  7.55\"/>.<polygon\n-00022bc0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-00022bd0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00022be0: 2232 3030 382e 352c 2d31 3038 302e 3035  \"2008.5,-1080.05\n-00022bf0: 2032 3031 372e 3931 2c2d 3130 3834 2e39   2017.91,-1084.9\n-00022c00: 3120 3230 3133 2e35 392c 2d31 3037 352e  1 2013.59,-1075.\n-00022c10: 3234 2032 3030 382e 352c 2d31 3038 302e  24 2008.5,-1080.\n-00022c20: 3035 222f 3e0a 3c2f 673e 0a3c 212d 2d20  05\"/>.</g>.<!-- \n-00022c30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022c40: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-00022c50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022c60: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n-00022c70: 6d20 2d2d 3e0a 3c67 2069 643d 2265 6467  m -->.<g id=\"edg\n-00022c80: 6532 3333 2220 636c 6173 733d 2265 6467  e233\" class=\"edg\n-00022c90: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00022ca0: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n-00022cb0: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n-00022cc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00022cd0: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469  romacs_nbnxm</ti\n-00022ce0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00022cf0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-00022d00: 6564 2220 643d 224d 3139 3338 2e36 2c2d  ed\" d=\"M1938.6,-\n-00022d10: 3938 342e 3237 4331 3935 382e 352c 2d39  984.27C1958.5,-9\n-00022d20: 3933 2e37 3720 3139 3835 2e35 342c 2d31  93.77 1985.54,-1\n-00022d30: 3030 372e 3731 2032 3030 352e 3035 2c2d  007.71 2005.05,-\n-00022d40: 3130 3138 2e34 3822 2f3e 0a3c 706f 6c79  1018.48\"/>.<poly\n-00022d50: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n-00022d60: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n-00022d70: 7473 3d22 3230 3033 2e35 322c 2d31 3032  ts=\"2003.52,-102\n-00022d80: 312e 3633 2032 3031 332e 3936 2c2d 3130  1.63 2013.96,-10\n-00022d90: 3233 2e34 3720 3230 3036 2e39 352c 2d31  23.47 2006.95,-1\n-00022da0: 3031 352e 3533 2032 3030 332e 3532 2c2d  015.53 2003.52,-\n-00022db0: 3130 3231 2e36 3322 2f3e 0a3c 2f67 3e0a  1021.63\"/>.</g>.\n-00022dc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00022dd0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-00022de0: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n-00022df0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00022e00: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964  _mdlib -->.<g id\n-00022e10: 3d22 6564 6765 3233 3222 2063 6c61 7373  =\"edge232\" class\n-00022e20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00022e30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022e40: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-00022e50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022e60: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-00022e70: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-00022e80: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00022e90: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-00022ea0: 4d31 3936 332e 3439 2c2d 3937 312e 3134  M1963.49,-971.14\n-00022eb0: 4332 3034 342e 352c 2d39 3639 2e33 3120  C2044.5,-969.31 \n-00022ec0: 3232 3036 2e36 362c 2d39 3630 2e36 3520  2206.66,-960.65 \n-00022ed0: 3233 3338 2e35 362c 2d39 3233 2e30 3520  2338.56,-923.05 \n-00022ee0: 3234 3031 2e30 352c 2d39 3035 2e32 3420  2401.05,-905.24 \n-00022ef0: 3234 3237 2e38 352c 2d39 3039 2e31 3620  2427.85,-909.16 \n-00022f00: 3234 3730 2e35 362c 2d38 3630 2e31 3820  2470.56,-860.18 \n-00022f10: 3235 3333 2e37 372c 2d37 3837 2e36 3920  2533.77,-787.69 \n-00022f20: 3235 3036 2c2d 3733 392e 3633 2032 3439  2506,-739.63 249\n-00022f30: 302e 3536 2c2d 3634 342e 3720 3234 3830  0.56,-644.7 2480\n-00022f40: 2e32 322c 2d35 3831 2e31 3420 3234 3630  .22,-581.14 2460\n-00022f50: 2e39 312c 2d35 3637 2e34 3820 3234 3138  .91,-567.48 2418\n-00022f60: 2e35 362c 2d35 3138 2e39 3620 3233 3933  .56,-518.96 2393\n-00022f70: 2e33 362c 2d34 3930 2e30 3920 3233 3836  .36,-490.09 2386\n-00022f80: 2e34 352c 2d34 3833 2e33 3920 3233 3539  .45,-483.39 2359\n-00022f90: 2e35 362c 2d34 3536 2e30 3920 3233 3331  .56,-456.09 2331\n-00022fa0: 2e33 362c 2d34 3237 2e34 3620 3233 3239  .36,-427.46 2329\n-00022fb0: 2e30 392c 2d34 3133 2e37 3920 3232 3934  .09,-413.79 2294\n-00022fc0: 2e35 362c 2d33 3933 2e32 3220 3232 3438  .56,-393.22 2248\n-00022fd0: 2e39 312c 2d33 3636 2e30 3320 3232 3236  .91,-366.03 2226\n-00022fe0: 2e32 362c 2d33 3834 2e33 3320 3231 3830  .26,-384.33 2180\n-00022ff0: 2e35 362c 2d33 3537 2e32 3220 3231 3635  .56,-357.22 2165\n-00023000: 2e37 332c 2d33 3438 2e34 3220 3231 3636  .73,-348.42 2166\n-00023010: 2e31 382c 2d33 3430 2e39 3420 3231 3532  .18,-340.94 2152\n-00023020: 2e35 362c 2d33 3330 2e33 3520 3231 3130  .56,-330.35 2110\n-00023030: 2e38 312c 2d32 3937 2e39 2032 3130 312e  .81,-297.9 2101.\n-00023040: 3137 2c2d 3238 352e 3737 2032 3035 312e  17,-285.77 2051.\n-00023050: 3536 2c2d 3236 372e 3438 2031 3935 372e  56,-267.48 1957.\n-00023060: 3033 2c2d 3233 322e 3632 2031 3833 372e  03,-232.62 1837.\n-00023070: 3939 2c2d 3232 322e 3833 2031 3737 372e  99,-222.83 1777.\n-00023080: 3833 2c2d 3232 302e 3039 222f 3e0a 3c70  83,-220.09\"/>.<p\n-00023090: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-000230a0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000230b0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-000230c0: 3737 372e 3739 2c2d 3231 362e 3539 2031  777.79,-216.59 1\n-000230d0: 3736 372e 3635 2c2d 3231 392e 3637 2031  767.65,-219.67 1\n-000230e0: 3737 372e 352c 2d32 3233 2e35 3820 3137  777.5,-223.58 17\n-000230f0: 3737 2e37 392c 2d32 3136 2e35 3922 2f3e  77.79,-216.59\"/>\n-00023100: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00023110: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n-00023120: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n-00023130: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023140: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d  romacs_domdec --\n-00023150: 3e0a 3c67 2069 643d 2265 6467 6532 3334  >.<g id=\"edge234\n-00023160: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00023170: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00023180: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n-00023190: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-000231a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000231b0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65  cs_domdec</title\n-000231c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000231d0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-000231e0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-000231f0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00023200: 3139 3437 2e33 332c 2d39 3632 2e34 3643  1947.33,-962.46C\n-00023210: 3230 3035 2e35 342c 2d39 3438 2e36 3920  2005.54,-948.69 \n-00023220: 3231 3135 2e38 382c 2d39 3233 2e39 3120  2115.88,-923.91 \n-00023230: 3231 3136 2e35 362c 2d39 3233 2e30 3520  2116.56,-923.05 \n-00023240: 3232 3132 2e32 352c 2d38 3033 2e31 3520  2212.25,-803.15 \n-00023250: 3231 3039 2e38 392c 2d37 3238 2e33 3920  2109.89,-728.39 \n-00023260: 3230 3634 2e35 362c 2d35 3831 2e38 3320  2064.56,-581.83 \n-00023270: 3230 3535 2e37 372c 2d35 3533 2e34 3120  2055.77,-553.41 \n-00023280: 3230 3535 2e36 392c 2d35 3435 2e31 3420  2055.69,-545.14 \n-00023290: 3230 3431 2e35 362c 2d35 3138 2e39 3620  2041.56,-518.96 \n-000232a0: 3230 3336 2e33 372c 2d35 3039 2e33 3520  2036.37,-509.35 \n-000232b0: 3230 3239 2e34 342c 2d34 3939 2e35 3320  2029.44,-499.53 \n-000232c0: 3230 3233 2e36 352c 2d34 3931 2e32 3722  2023.65,-491.27\"\n-000232d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000232e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-000232f0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00023300: 7473 3d22 3230 3236 2e35 312c 2d34 3839  ts=\"2026.51,-489\n-00023310: 2e32 3520 3230 3137 2e39 352c 2d34 3833  .25 2017.95,-483\n-00023320: 2032 3032 302e 3734 2c2d 3439 332e 3232   2020.74,-493.22\n-00023330: 2032 3032 362e 3531 2c2d 3438 392e 3235   2026.51,-489.25\n-00023340: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00023350: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00023360: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n-00023370: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00023380: 635f 6772 6f6d 6163 735f 7461 626c 6573  c_gromacs_tables\n-00023390: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000233a0: 3233 3522 2063 6c61 7373 3d22 6564 6765  235\" class=\"edge\n-000233b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-000233c0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-000233d0: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n-000233e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000233f0: 6f6d 6163 735f 7461 626c 6573 3c2f 7469  omacs_tables</ti\n-00023400: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00023410: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00023420: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00023430: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00023440: 3d22 4d31 3836 312e 3436 2c2d 3937 312e  =\"M1861.46,-971.\n-00023450: 3433 4331 3633 302e 3735 2c2d 3937 3020  43C1630.75,-970 \n-00023460: 3639 302e 3132 2c2d 3935 302e 3738 2035  690.12,-950.78 5\n-00023470: 3230 2e35 362c 2d37 3334 2e34 3420 3531  20.56,-734.44 51\n-00023480: 332e 3139 2c2d 3732 352e 3034 2035 3138  3.19,-725.04 518\n-00023490: 2e39 392c 2d37 3139 2e34 3120 3532 302e  .99,-719.41 520.\n-000234a0: 3536 2c2d 3730 372e 3537 2035 3237 2e32  56,-707.57 527.2\n-000234b0: 382c 2d36 3536 2e37 3820 3535 302e 3536  8,-656.78 550.56\n-000234c0: 2c2d 3634 372e 3520 3535 302e 3536 2c2d  ,-647.5 550.56,-\n-000234d0: 3539 362e 3237 2035 3530 2e35 362c 2d35  596.27 550.56,-5\n-000234e0: 3936 2e32 3720 3535 302e 3536 2c2d 3539  96.27 550.56,-59\n-000234f0: 362e 3237 2035 3530 2e35 362c 2d34 3035  6.27 550.56,-405\n-00023500: 2e36 3620 3535 302e 3536 2c2d 3337 312e  .66 550.56,-371.\n-00023510: 3533 2035 3432 2e39 372c 2d33 3535 2e39  53 542.97,-355.9\n-00023520: 3320 3536 352e 3536 2c2d 3333 302e 3335  3 565.56,-330.35\n-00023530: 2036 3934 2e37 332c 2d31 3834 2e30 3420   694.73,-184.04 \n-00023540: 3934 392e 3834 2c2d 3136 302e 3238 2031  949.84,-160.28 1\n-00023550: 3034 382e 392c 2d31 3536 2e36 3922 2f3e  048.9,-156.69\"/>\n-00023560: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00023570: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00023580: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00023590: 3d22 3130 3439 2e32 2c2d 3136 302e 3138  =\"1049.2,-160.18\n-000235a0: 2031 3035 392e 3039 2c2d 3135 362e 3337   1059.09,-156.37\n-000235b0: 2031 3034 382e 3938 2c2d 3135 332e 3139   1048.98,-153.19\n-000235c0: 2031 3034 392e 322c 2d31 3630 2e31 3822   1049.2,-160.18\"\n-000235d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-000235e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000235f0: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n-00023600: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00023610: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n-00023620: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00023630: 3239 2220 636c 6173 733d 2265 6467 6522  29\" class=\"edge\"\n-00023640: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00023650: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-00023660: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00023670: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00023680: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974  macs_gmxlib</tit\n-00023690: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000236a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-000236b0: 6662 6662 6622 2064 3d22 4d31 3836 332e  fbfbf\" d=\"M1863.\n-000236c0: 3735 2c2d 3936 382e 3335 4331 3830 392e  75,-968.35C1809.\n-000236d0: 3532 2c2d 3936 332e 3535 2031 3732 302e  52,-963.55 1720.\n-000236e0: 3136 2c2d 3935 312e 3720 3136 3438 2e35  16,-951.7 1648.5\n-000236f0: 362c 2d39 3233 2e30 3520 3136 3133 2e31  6,-923.05 1613.1\n-00023700: 362c 2d39 3038 2e38 3820 3135 3737 2e31  6,-908.88 1577.1\n-00023710: 342c 2d38 3833 2e30 3620 3135 3535 2e30  4,-883.06 1555.0\n-00023720: 382c 2d38 3635 2e36 3622 2f3e 0a3c 706f  8,-865.66\"/>.<po\n-00023730: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00023740: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00023750: 6266 6266 2220 706f 696e 7473 3d22 3135  bfbf\" points=\"15\n-00023760: 3537 2e30 352c 2d38 3632 2e37 3520 3135  57.05,-862.75 15\n-00023770: 3437 2e30 362c 2d38 3539 2e32 3220 3135  47.06,-859.22 15\n-00023780: 3532 2e36 372c 2d38 3638 2e32 3120 3135  52.67,-868.21 15\n-00023790: 3537 2e30 352c 2d38 3632 2e37 3522 2f3e  57.05,-862.75\"/>\n-000237a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000237b0: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n-000237c0: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n-000237d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000237e0: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n-000237f0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265  ity -->.<g id=\"e\n-00023800: 6467 6532 3330 2220 636c 6173 733d 2265  dge230\" class=\"e\n-00023810: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00023820: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00023830: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n-00023840: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00023850: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n-00023860: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70  ility</title>.<p\n-00023870: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00023880: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00023890: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-000238a0: 793d 2235 2c32 2220 643d 224d 3139 3337  y=\"5,2\" d=\"M1937\n-000238b0: 2e36 322c 2d39 3630 2e37 3443 3139 3630  .62,-960.74C1960\n-000238c0: 2e36 342c 2d39 3530 2e38 3820 3139 3934  .64,-950.88 1994\n-000238d0: 2e39 342c 2d39 3336 2e31 3720 3230 3230  .94,-936.17 2020\n-000238e0: 2e34 352c 2d39 3235 2e32 3422 2f3e 0a3c  .45,-925.24\"/>.<\n-000238f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00023900: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00023910: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00023920: 3230 3231 2e39 342c 2d39 3238 2e34 3120  2021.94,-928.41 \n-00023930: 3230 3239 2e37 352c 2d39 3231 2e32 3520  2029.75,-921.25 \n-00023940: 3230 3139 2e31 382c 2d39 3231 2e39 3720  2019.18,-921.97 \n-00023950: 3230 3231 2e39 342c 2d39 3238 2e34 3122  2021.94,-928.41\"\n-00023960: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00023970: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00023980: 616e 616c 7973 6973 6461 7461 2623 3435  analysisdata&#45\n-00023990: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000239a0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-000239b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3233  ->.<g id=\"edge23\n-000239c0: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n-000239d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000239e0: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79  rc_gromacs_analy\n-000239f0: 7369 7364 6174 6126 2334 353b 2667 743b  sisdata&#45;&gt;\n-00023a00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00023a10: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n-00023a20: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00023a30: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00023a40: 6662 6622 2064 3d22 4d31 3637 332e 3834  fbf\" d=\"M1673.84\n-00023a50: 2c2d 3731 302e 3439 4331 3633 362e 3033  ,-710.49C1636.03\n-00023a60: 2c2d 3639 392e 3136 2031 3537 332e 3136  ,-699.16 1573.16\n-00023a70: 2c2d 3638 302e 3331 2031 3533 352e 3032  ,-680.31 1535.02\n-00023a80: 2c2d 3636 382e 3837 222f 3e0a 3c70 6f6c  ,-668.87\"/>.<pol\n-00023a90: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-00023aa0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-00023ab0: 6662 6622 2070 6f69 6e74 733d 2231 3533  fbf\" points=\"153\n-00023ac0: 352e 3535 2c2d 3636 352e 3337 2031 3532  5.55,-665.37 152\n-00023ad0: 342e 3936 2c2d 3636 352e 3835 2031 3533  4.96,-665.85 153\n-00023ae0: 332e 3534 2c2d 3637 322e 3038 2031 3533  3.54,-672.08 153\n-00023af0: 352e 3535 2c2d 3636 352e 3337 222f 3e0a  5.55,-665.37\"/>.\n-00023b00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00023b10: 5f73 7263 5f67 726f 6d61 6373 5f70 6263  _src_gromacs_pbc\n-00023b20: 7574 696c 202d 2d3e 0a3c 6720 6964 3d22  util -->.<g id=\"\n-00023b30: 6e6f 6465 3434 2220 636c 6173 733d 226e  node44\" class=\"n\n-00023b40: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-00023b50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00023b60: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a  pbcutil</title>.\n-00023b70: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-00023b80: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00023b90: 626c 6163 6b22 2063 783d 2231 3939 312e  black\" cx=\"1991.\n-00023ba0: 3536 2220 6379 3d22 2d31 3136 312e 3122  56\" cy=\"-1161.1\"\n-00023bb0: 2072 783d 2233 312e 3634 2220 7279 3d22   rx=\"31.64\" ry=\"\n-00023bc0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n-00023bd0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n-00023be0: 6c65 2220 783d 2231 3939 312e 3536 2220  le\" x=\"1991.56\" \n-00023bf0: 793d 222d 3131 3538 2e36 2220 666f 6e74  y=\"-1158.6\" font\n-00023c00: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-00023c10: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-00023c20: 2e30 3022 3e70 6263 7574 696c 3c2f 7465  .00\">pbcutil</te\n-00023c30: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n-00023c40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00023c50: 5f70 6263 7574 696c 2623 3435 3b26 6774  _pbcutil&#45;&gt\n-00023c60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00023c70: 6163 735f 6770 755f 7574 696c 7320 2d2d  acs_gpu_utils --\n-00023c80: 3e0a 3c67 2069 643d 2265 6467 6532 3337  >.<g id=\"edge237\n-00023c90: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00023ca0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00023cb0: 635f 6772 6f6d 6163 735f 7062 6375 7469  c_gromacs_pbcuti\n-00023cc0: 6c26 2334 353b 2667 743b 6d6f 6475 6c65  l&#45;&gt;module\n-00023cd0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-00023ce0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c  _utils</title>.<\n-00023cf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00023d00: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00023d10: 2220 643d 224d 3139 3939 2e32 352c 2d31  \" d=\"M1999.25,-1\n-00023d20: 3134 372e 3738 4332 3030 342e 3139 2c2d  147.78C2004.19,-\n-00023d30: 3131 3339 2e38 3620 3230 3130 2e37 352c  1139.86 2010.75,\n-00023d40: 2d31 3132 392e 3336 2032 3031 362e 3439  -1129.36 2016.49\n-00023d50: 2c2d 3131 3230 2e31 3622 2f3e 0a3c 706f  ,-1120.16\"/>.<po\n-00023d60: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00023d70: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00023d80: 6266 6266 2220 706f 696e 7473 3d22 3230  bfbf\" points=\"20\n-00023d90: 3139 2e35 352c 2d31 3132 312e 3836 2032  19.55,-1121.86 2\n-00023da0: 3032 312e 3838 2c2d 3131 3131 2e35 3320  021.88,-1111.53 \n-00023db0: 3230 3133 2e36 322c 2d31 3131 382e 3135  2013.62,-1118.15\n-00023dc0: 2032 3031 392e 3535 2c2d 3131 3231 2e38   2019.55,-1121.8\n-00023dd0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n-00023de0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00023df0: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n-00023e00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00023e10: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-00023e20: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n-00023e30: 6765 3234 3722 2063 6c61 7373 3d22 6564  ge247\" class=\"ed\n-00023e40: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00023e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00023e60: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-00023e70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00023e80: 6772 6f6d 6163 735f 6d64 7479 7065 733c  gromacs_mdtypes<\n-00023e90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00023ea0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00023eb0: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n-00023ec0: 3430 312e 3634 2c2d 3130 3834 2e38 3443  401.64,-1084.84C\n-00023ed0: 3134 3432 2e31 312c 2d31 3033 352e 3139  1442.11,-1035.19\n-00023ee0: 2031 3539 322e 3032 2c2d 3835 322e 3320   1592.02,-852.3 \n-00023ef0: 3136 3139 2e35 362c 2d38 3333 2e33 3120  1619.56,-833.31 \n-00023f00: 3136 3335 2e33 332c 2d38 3232 2e34 3420  1635.33,-822.44 \n-00023f10: 3136 3831 2e32 2c2d 3830 362e 3835 2031  1681.2,-806.85 1\n-00023f20: 3731 342e 3637 2c2d 3739 362e 3332 222f  714.67,-796.32\"/\n-00023f30: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00023f40: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00023f50: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00023f60: 733d 2231 3731 362e 3131 2c2d 3739 392e  s=\"1716.11,-799.\n-00023f70: 3534 2031 3732 342e 3632 2c2d 3739 332e  54 1724.62,-793.\n-00023f80: 3232 2031 3731 342e 3033 2c2d 3739 322e  22 1714.03,-792.\n-00023f90: 3835 2031 3731 362e 3131 2c2d 3739 392e  85 1716.11,-799.\n-00023fa0: 3534 222f 3e0a 3c2f 673e 0a3c 212d 2d20  54\"/>.</g>.<!-- \n-00023fb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00023fc0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00023fd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00023fe0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n-00023ff0: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n-00024000: 643d 2265 6467 6532 3338 2220 636c 6173  d=\"edge238\" clas\n-00024010: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00024020: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00024030: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00024040: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00024050: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-00024060: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e  mandline</title>\n-00024070: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00024080: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" stroke=\"black\n-00024090: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000240a0: 6179 3d22 352c 3222 2064 3d22 4d31 3333  ay=\"5,2\" d=\"M133\n-000240b0: 322e 3831 2c2d 3130 3937 2e37 3943 3131  2.81,-1097.79C11\n-000240c0: 3735 2e35 362c 2d31 3039 382e 3633 2037  75.56,-1098.63 7\n-000240d0: 3438 2e31 2c2d 3130 3936 2e33 3420 3631  48.1,-1096.34 61\n-000240e0: 362e 3536 2c2d 3130 3438 2e37 3920 3432  6.56,-1048.79 42\n-000240f0: 332e 3935 2c2d 3937 392e 3137 2033 3730  3.95,-979.17 370\n-00024100: 2e35 362c 2d38 3633 2e39 3420 3337 302e  .56,-863.94 370.\n-00024110: 3536 2c2d 3635 392e 3134 2033 3730 2e35  56,-659.14 370.5\n-00024120: 362c 2d36 3539 2e31 3420 3337 302e 3536  6,-659.14 370.56\n-00024130: 2c2d 3635 392e 3134 2033 3730 2e35 362c  ,-659.14 370.56,\n-00024140: 2d33 3432 2e37 3920 3337 302e 3536 2c2d  -342.79 370.56,-\n-00024150: 3235 322e 3434 2033 3333 2e37 332c 2d32  252.44 333.73,-2\n-00024160: 3032 2e35 3320 3430 302e 3536 2c2d 3134  02.53 400.56,-14\n-00024170: 312e 3734 2034 3331 2e36 2c2d 3131 332e  1.74 431.6,-113.\n-00024180: 3520 3130 3431 2e33 312c 2d39 382e 3633  5 1041.31,-98.63\n-00024190: 2031 3234 302e 3332 2c2d 3934 2e35 3122   1240.32,-94.51\"\n-000241a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000241b0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-000241c0: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-000241d0: 3132 3430 2e36 382c 2d39 3820 3132 3530  1240.68,-98 1250\n-000241e0: 2e36 2c2d 3934 2e33 2031 3234 302e 3533  .6,-94.3 1240.53\n-000241f0: 2c2d 3931 2031 3234 302e 3638 2c2d 3938  ,-91 1240.68,-98\n-00024200: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00024210: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00024220: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n-00024230: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00024240: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n-00024250: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00024260: 3234 3222 2063 6c61 7373 3d22 6564 6765  242\" class=\"edge\n-00024270: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00024280: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00024290: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n-000242a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000242b0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n-000242c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000242d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000242e0: 6266 6266 6266 2220 643d 224d 3133 3933  bfbfbf\" d=\"M1393\n-000242f0: 2e32 382c 2d31 3038 342e 3339 4331 3339  .28,-1084.39C139\n-00024300: 372e 3733 2c2d 3130 3532 2e33 3320 3134  7.73,-1052.33 14\n-00024310: 3130 2e35 2c2d 3936 362e 3239 2031 3432  10.5,-966.29 142\n-00024320: 382e 3536 2c2d 3839 362e 3138 2031 3434  8.56,-896.18 144\n-00024330: 302e 3131 2c2d 3835 312e 3332 2031 3434  0.11,-851.32 144\n-00024340: 372e 3634 2c2d 3834 312e 3439 2031 3436  7.64,-841.49 146\n-00024350: 312e 3536 2c2d 3739 372e 3331 2031 3437  1.56,-797.31 147\n-00024360: 342e 3337 2c2d 3735 362e 3635 2031 3438  4.37,-756.65 148\n-00024370: 382e 3239 2c2d 3730 382e 3931 2031 3439  8.29,-708.91 149\n-00024380: 362e 3137 2c2d 3638 312e 3532 222f 3e0a  6.17,-681.52\"/>.\n-00024390: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-000243a0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-000243b0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-000243c0: 2231 3439 392e 3538 2c2d 3638 322e 3333  \"1499.58,-682.33\n-000243d0: 2031 3439 382e 3937 2c2d 3637 312e 3735   1498.97,-671.75\n-000243e0: 2031 3439 322e 3835 2c2d 3638 302e 3420   1492.85,-680.4 \n-000243f0: 3134 3939 2e35 382c 2d36 3832 2e33 3322  1499.58,-682.33\"\n-00024400: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00024410: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00024420: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00024430: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00024440: 5f67 726f 6d61 6373 5f6e 626e 786d 202d  _gromacs_nbnxm -\n-00024450: 2d3e 0a3c 6720 6964 3d22 6564 6765 3234  ->.<g id=\"edge24\n-00024460: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n-00024470: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00024480: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-00024490: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n-000244a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000244b0: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65  acs_nbnxm</title\n-000244c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000244d0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-000244e0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-000244f0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00024500: 3134 3434 2e33 312c 2d31 3039 322e 3139  1444.31,-1092.19\n-00024510: 4331 3536 382e 3234 2c2d 3130 3830 2e33  C1568.24,-1080.3\n-00024520: 3720 3138 3735 2e39 322c 2d31 3035 312e  7 1875.92,-1051.\n-00024530: 3031 2031 3938 372e 3933 2c2d 3130 3430  01 1987.93,-1040\n-00024540: 2e33 3322 2f3e 0a3c 706f 6c79 676f 6e20  .33\"/>.<polygon \n-00024550: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00024560: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00024570: 706f 696e 7473 3d22 3139 3838 2e35 322c  points=\"1988.52,\n-00024580: 2d31 3034 332e 3739 2031 3939 382e 3135  -1043.79 1998.15\n-00024590: 2c2d 3130 3339 2e33 3520 3139 3837 2e38  ,-1039.35 1987.8\n-000245a0: 362c 2d31 3033 362e 3832 2031 3938 382e  6,-1036.82 1988.\n-000245b0: 3532 2c2d 3130 3433 2e37 3922 2f3e 0a3c  52,-1043.79\"/>.<\n-000245c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000245d0: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-000245e0: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n-000245f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00024600: 6d61 6373 5f69 6d64 202d 2d3e 0a3c 6720  macs_imd -->.<g \n-00024610: 6964 3d22 6564 6765 3234 3322 2063 6c61  id=\"edge243\" cla\n-00024620: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00024630: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00024640: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00024650: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n-00024660: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n-00024670: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n-00024680: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00024690: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-000246a0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-000246b0: 2c32 2220 643d 224d 3134 3439 2e36 382c  ,2\" d=\"M1449.68,\n-000246c0: 2d31 3039 362e 3343 3135 3637 2e36 312c  -1096.3C1567.61,\n-000246d0: 2d31 3039 332e 3731 2031 3834 332e 3138  -1093.71 1843.18\n-000246e0: 2c2d 3130 3834 2e30 3820 3230 3731 2e35  ,-1084.08 2071.5\n-000246f0: 362c 2d31 3034 382e 3739 2032 3138 392e  6,-1048.79 2189.\n-00024700: 3931 2c2d 3130 3330 2e35 2032 3232 312e  91,-1030.5 2221.\n-00024710: 3938 2c2d 3130 3239 2e34 2032 3333 332e  98,-1029.4 2333.\n-00024720: 3536 2c2d 3938 352e 3932 2032 3338 372e  56,-985.92 2387.\n-00024730: 3131 2c2d 3936 352e 3035 2032 3430 302e  11,-965.05 2400.\n-00024740: 3935 2c2d 3935 382e 3032 2032 3434 362e  95,-958.02 2446.\n-00024750: 3536 2c2d 3932 332e 3035 2032 3630 382e  56,-923.05 2608.\n-00024760: 3834 2c2d 3739 382e 3633 2032 3733 332e  84,-798.63 2733.\n-00024770: 3032 2c2d 3731 322e 3335 2032 3636 362e  02,-712.35 2666.\n-00024780: 3536 2c2d 3531 382e 3936 2032 3631 332e  56,-518.96 2613.\n-00024790: 3032 2c2d 3336 332e 3136 2032 3532 342e  02,-363.16 2524.\n-000247a0: 3833 2c2d 3336 372e 3936 2032 3433 322e  83,-367.96 2432.\n-000247b0: 3536 2c2d 3233 312e 3438 2032 3432 302e  56,-231.48 2420.\n-000247c0: 3939 2c2d 3231 342e 3336 2032 3431 302e  99,-214.36 2410.\n-000247d0: 3633 2c2d 3139 332e 3234 2032 3430 332e  63,-193.24 2403.\n-000247e0: 3636 2c2d 3137 372e 3732 222f 3e0a 3c70  66,-177.72\"/>.<p\n-000247f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00024800: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00024810: 3832 6663 6322 2070 6f69 6e74 733d 2232  82fcc\" points=\"2\n-00024820: 3430 362e 3831 2c2d 3137 362e 3139 2032  406.81,-176.19 2\n-00024830: 3339 392e 3539 2c2d 3136 382e 3434 2032  399.59,-168.44 2\n-00024840: 3430 302e 342c 2d31 3739 2032 3430 362e  400.4,-179 2406.\n-00024850: 3831 2c2d 3137 362e 3139 222f 3e0a 3c2f  81,-176.19\"/>.</\n-00024860: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00024870: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-00024880: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n-00024890: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000248a0: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67  acs_mdlib -->.<g\n-000248b0: 2069 643d 2265 6467 6532 3434 2220 636c   id=\"edge244\" cl\n-000248c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000248d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000248e0: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-000248f0: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00024900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00024910: 646c 6962 3c2f 7469 746c 653e 0a3c 7061  dlib</title>.<pa\n-00024920: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00024930: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00024940: 643d 224d 3133 3837 2e38 362c 2d31 3038  d=\"M1387.86,-108\n-00024950: 342e 3539 4331 3338 352e 3136 2c2d 3130  4.59C1385.16,-10\n-00024960: 3734 2e38 3820 3133 3831 2e36 322c 2d31  74.88 1381.62,-1\n-00024970: 3036 312e 3039 2031 3337 392e 3536 2c2d  061.09 1379.56,-\n-00024980: 3130 3438 2e37 3920 3133 3536 2e34 2c2d  1048.79 1356.4,-\n-00024990: 3931 302e 3435 2031 3335 372e 3739 2c2d  910.45 1357.79,-\n-000249a0: 3837 342e 3537 2031 3335 312e 3536 2c2d  874.57 1351.56,-\n-000249b0: 3733 342e 3434 2031 3334 322e 3935 2c2d  734.44 1342.95,-\n-000249c0: 3534 302e 3831 2031 3335 352e 3534 2c2d  540.81 1355.54,-\n-000249d0: 3332 352e 3934 2031 3431 332e 3536 2c2d  325.94 1413.56,-\n-000249e0: 3236 372e 3438 2031 3435 332e 3131 2c2d  267.48 1453.11,-\n-000249f0: 3232 372e 3633 2031 3632 332e 3634 2c2d  227.63 1623.64,-\n-00024a00: 3232 302e 3431 2031 3730 312e 3036 2c2d  220.41 1701.06,-\n-00024a10: 3231 392e 3232 222f 3e0a 3c70 6f6c 7967  219.22\"/>.<polyg\n-00024a20: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00024a30: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00024a40: 6622 2070 6f69 6e74 733d 2231 3730 312e  f\" points=\"1701.\n-00024a50: 3339 2c2d 3232 322e 3731 2031 3731 312e  39,-222.71 1711.\n-00024a60: 3334 2c2d 3231 392e 3038 2031 3730 312e  34,-219.08 1701.\n-00024a70: 332c 2d32 3135 2e37 3120 3137 3031 2e33  3,-215.71 1701.3\n-00024a80: 392c 2d32 3232 2e37 3122 2f3e 0a3c 2f67  9,-222.71\"/>.</g\n-00024a90: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00024aa0: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n-00024ab0: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-00024ac0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00024ad0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n-00024ae0: 2069 643d 2265 6467 6532 3531 2220 636c   id=\"edge251\" cl\n-00024af0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00024b00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00024b10: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00024b20: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00024b30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-00024b40: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70  omdec</title>.<p\n-00024b50: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00024b60: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00024b70: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00024b80: 793d 2235 2c32 2220 643d 224d 3134 3436  y=\"5,2\" d=\"M1446\n-00024b90: 2e35 2c2d 3130 3933 2e33 3843 3136 3032  .5,-1093.38C1602\n-00024ba0: 2e37 312c 2d31 3038 312e 3039 2032 3034  .71,-1081.09 204\n-00024bb0: 322e 3932 2c2d 3130 3336 2e37 3620 3231  2.92,-1036.76 21\n-00024bc0: 3137 2e35 362c 2d39 3233 2e30 3520 3231  17.56,-923.05 21\n-00024bd0: 3234 2e31 312c 2d39 3133 2e30 3720 3231  24.11,-913.07 21\n-00024be0: 3139 2e31 382c 2d39 3038 2e30 3120 3231  19.18,-908.01 21\n-00024bf0: 3137 2e35 362c 2d38 3936 2e31 3820 3230  17.56,-896.18 20\n-00024c00: 3935 2e35 382c 2d37 3335 2e39 3920 3230  95.58,-735.99 20\n-00024c10: 3436 2e38 342c 2d37 3035 2e32 2032 3031  46.84,-705.2 201\n-00024c20: 392e 3536 2c2d 3534 352e 3833 2032 3031  9.56,-545.83 201\n-00024c30: 362e 3538 2c2d 3532 382e 3434 2032 3031  6.58,-528.44 201\n-00024c40: 352e 3335 2c2d 3530 382e 3520 3230 3134  5.35,-508.5 2014\n-00024c50: 2e38 362c 2d34 3933 2e35 3222 2f3e 0a3c  .86,-493.52\"/>.<\n-00024c60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00024c70: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00024c80: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00024c90: 3230 3138 2e33 352c 2d34 3933 2e30 3620  2018.35,-493.06 \n-00024ca0: 3230 3134 2e36 312c 2d34 3833 2e31 3420  2014.61,-483.14 \n-00024cb0: 3230 3131 2e33 352c 2d34 3933 2e32 3320  2011.35,-493.23 \n-00024cc0: 3230 3138 2e33 352c 2d34 3933 2e30 3622  2018.35,-493.06\"\n-00024cd0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00024ce0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00024cf0: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00024d00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00024d10: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e  _gromacs_fft -->\n-00024d20: 0a3c 6720 6964 3d22 6564 6765 3234 3122  .<g id=\"edge241\"\n-00024d30: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00024d40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00024d50: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00024d60: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n-00024d70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024d80: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70  s_fft</title>.<p\n-00024d90: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00024da0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00024db0: 2064 3d22 4d31 3333 332e 3433 2c2d 3130   d=\"M1333.43,-10\n-00024dc0: 3936 2e33 3443 3131 3537 2e35 342c 2d31  96.34C1157.54,-1\n-00024dd0: 3039 332e 3331 2036 3332 2e39 2c2d 3130  093.31 632.9,-10\n-00024de0: 3831 2e36 3920 3436 352e 3536 2c2d 3130  81.69 465.56,-10\n-00024df0: 3438 2e37 3920 3435 352e 3137 2c2d 3130  48.79 455.17,-10\n-00024e00: 3436 2e37 3520 3239 322e 3531 2c2d 3939  46.75 292.51,-99\n-00024e10: 332e 3931 2032 3835 2e35 362c 2d39 3835  3.91 285.56,-985\n-00024e20: 2e39 3220 3236 332e 3137 2c2d 3936 302e  .92 263.17,-960.\n-00024e30: 3137 2032 3730 2e35 362c 2d39 3434 2e37  17 270.56,-944.7\n-00024e40: 3420 3237 302e 3536 2c2d 3931 302e 3632  4 270.56,-910.62\n-00024e50: 2032 3730 2e35 362c 2d39 3130 2e36 3220   270.56,-910.62 \n-00024e60: 3237 302e 3536 2c2d 3931 302e 3632 2032  270.56,-910.62 2\n-00024e70: 3730 2e35 362c 2d33 3432 2e37 3920 3237  70.56,-342.79 27\n-00024e80: 302e 3536 2c2d 3330 372e 3335 2032 3736  0.56,-307.35 276\n-00024e90: 2e33 2c2d 3236 362e 3537 2032 3830 2e34  .3,-266.57 280.4\n-00024ea0: 332c 2d32 3431 2e38 3122 2f3e 0a3c 706f  3,-241.81\"/>.<po\n-00024eb0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00024ec0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00024ed0: 6266 6266 2220 706f 696e 7473 3d22 3238  bfbf\" points=\"28\n-00024ee0: 332e 3933 2c2d 3234 322e 3039 2032 3832  3.93,-242.09 282\n-00024ef0: 2e31 392c 2d32 3331 2e36 3420 3237 372e  .19,-231.64 277.\n-00024f00: 3033 2c2d 3234 302e 3920 3238 332e 3933  03,-240.9 283.93\n-00024f10: 2c2d 3234 322e 3039 222f 3e0a 3c2f 673e  ,-242.09\"/>.</g>\n-00024f20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00024f30: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00024f40: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+00022350: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+00022360: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c  ld&#45;&gt;modul\n+00022370: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00022380: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061  mdec</title>.<pa\n+00022390: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000223a0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+000223b0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+000223c0: 3d22 352c 3222 2064 3d22 4d36 3832 2e30  =\"5,2\" d=\"M682.0\n+000223d0: 332c 2d33 3933 2e33 3443 3637 332e 382c  3,-393.34C673.8,\n+000223e0: 2d33 3636 2e35 2036 3638 2e35 322c 2d33  -366.5 668.52,-3\n+000223f0: 3032 2e33 3520 3730 322c 2d32 3637 2e34  02.35 702,-267.4\n+00022400: 3820 3732 392e 3136 2c2d 3233 392e 3220  8 729.16,-239.2 \n+00022410: 3834 312e 3532 2c2d 3232 362e 3536 2039  841.52,-226.56 9\n+00022420: 3036 2e30 392c 2d32 3231 2e36 3822 2f3e  06.09,-221.68\"/>\n+00022430: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00022440: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00022450: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00022460: 3d22 3930 362e 3638 2c2d 3232 352e 3135  =\"906.68,-225.15\n+00022470: 2039 3136 2e34 2c2d 3232 302e 3934 2039   916.4,-220.94 9\n+00022480: 3036 2e31 382c 2d32 3138 2e31 3720 3930  06.18,-218.17 90\n+00022490: 362e 3638 2c2d 3232 352e 3135 222f 3e0a  6.68,-225.15\"/>.\n+000224a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000224b0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+000224c0: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c  ld&#45;&gt;modul\n+000224d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+000224e0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+000224f0: 6467 6532 3431 2220 636c 6173 733d 2265  dge241\" class=\"e\n+00022500: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00022510: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00022520: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n+00022530: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00022540: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n+00022550: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00022560: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00022570: 2220 643d 224d 3731 362e 3937 2c2d 3430  \" d=\"M716.97,-40\n+00022580: 322e 3834 4338 3233 2e31 372c 2d33 3932  2.84C823.17,-392\n+00022590: 2e37 3620 3132 3030 2e36 382c 2d33 3538  .76 1200.68,-358\n+000225a0: 2e35 3120 3133 3232 2e31 342c 2d33 3437  .51 1322.14,-347\n+000225b0: 2e39 3322 2f3e 0a3c 706f 6c79 676f 6e20  .93\"/>.<polygon \n+000225c0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+000225d0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000225e0: 706f 696e 7473 3d22 3133 3232 2e37 372c  points=\"1322.77,\n+000225f0: 2d33 3531 2e33 3920 3133 3332 2e34 332c  -351.39 1332.43,\n+00022600: 2d33 3437 2e30 3420 3133 3232 2e31 362c  -347.04 1322.16,\n+00022610: 2d33 3434 2e34 3120 3133 3232 2e37 372c  -344.41 1322.77,\n+00022620: 2d33 3531 2e33 3922 2f3e 0a3c 2f67 3e0a  -351.39\"/>.</g>.\n+00022630: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00022640: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n+00022650: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00022660: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e  _gromacs_fft -->\n+00022670: 0a3c 6720 6964 3d22 6564 6765 3233 3822  .<g id=\"edge238\"\n+00022680: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00022690: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000226a0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623  _gromacs_ewald&#\n+000226b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000226c0: 635f 6772 6f6d 6163 735f 6666 743c 2f74  c_gromacs_fft</t\n+000226d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000226e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000226f0: 7265 6422 2064 3d22 4d37 3137 2e37 312c  red\" d=\"M717.71,\n+00022700: 2d34 3034 2e35 3243 3930 372e 3432 2c2d  -404.52C907.42,-\n+00022710: 3339 372e 3032 2031 3937 392e 3434 2c2d  397.02 1979.44,-\n+00022720: 3335 342e 3635 2032 3139 322e 3237 2c2d  354.65 2192.27,-\n+00022730: 3334 362e 3234 222f 3e0a 3c70 6f6c 7967  346.24\"/>.<polyg\n+00022740: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n+00022750: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n+00022760: 733d 2232 3139 322e 3435 2c2d 3334 392e  s=\"2192.45,-349.\n+00022770: 3733 2032 3230 322e 332c 2d33 3435 2e38  73 2202.3,-345.8\n+00022780: 3420 3231 3932 2e31 372c 2d33 3432 2e37  4 2192.17,-342.7\n+00022790: 3420 3231 3932 2e34 352c 2d33 3439 2e37  4 2192.45,-349.7\n+000227a0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n+000227b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000227c0: 735f 6577 616c 6426 2334 353b 2667 743b  s_ewald&#45;&gt;\n+000227d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000227e0: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720  cs_nbnxm -->.<g \n+000227f0: 6964 3d22 6564 6765 3234 3322 2063 6c61  id=\"edge243\" cla\n+00022800: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00022810: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00022820: 6d61 6373 5f65 7761 6c64 2623 3435 3b26  macs_ewald&#45;&\n+00022830: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00022840: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974  omacs_nbnxm</tit\n+00022850: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00022860: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00022870: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+00022880: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00022890: 224d 3638 372e 3737 2c2d 3432 302e 3332  \"M687.77,-420.32\n+000228a0: 4336 3830 2e37 392c 2d34 3336 2e30 3920  C680.79,-436.09 \n+000228b0: 3636 322e 3736 2c2d 3436 332e 3334 2036  662.76,-463.34 6\n+000228c0: 3433 2c2d 3438 322e 3936 2036 3233 2e35  43,-482.96 623.5\n+000228d0: 372c 2d35 3032 2e32 3620 3630 372e 3832  7,-502.26 607.82\n+000228e0: 2c2d 3439 352e 3933 2035 3933 2c2d 3531  ,-495.93 593,-51\n+000228f0: 382e 3936 2035 3734 2e35 342c 2d35 3437  8.96 574.54,-547\n+00022900: 2e36 3620 3537 382c 2d35 3630 2e31 3420  .66 578,-560.14 \n+00022910: 3537 382c 2d35 3934 2e32 3720 3537 382c  578,-594.27 578,\n+00022920: 2d37 3232 2e30 3120 3537 382c 2d37 3232  -722.01 578,-722\n+00022930: 2e30 3120 3537 382c 2d37 3232 2e30 3120  .01 578,-722.01 \n+00022940: 3537 382c 2d38 3035 2e39 3520 3537 312e  578,-805.95 571.\n+00022950: 3134 2c2d 3930 352e 3631 2035 3633 2e39  14,-905.61 563.9\n+00022960: 2c2d 3934 392e 3222 2f3e 0a3c 706f 6c79  ,-949.2\"/>.<poly\n+00022970: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00022980: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00022990: 6363 2220 706f 696e 7473 3d22 3536 302e  cc\" points=\"560.\n+000229a0: 3436 2c2d 3934 382e 3536 2035 3632 2e30  46,-948.56 562.0\n+000229b0: 362c 2d39 3539 2e30 3420 3536 372e 3334  6,-959.04 567.34\n+000229c0: 2c2d 3934 392e 3835 2035 3630 2e34 362c  ,-949.85 560.46,\n+000229d0: 2d39 3438 2e35 3622 2f3e 0a3c 2f67 3e0a  -948.56\"/>.</g>.\n+000229e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000229f0: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n+00022a00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00022a10: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n+00022a20: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n+00022a30: 6532 3434 2220 636c 6173 733d 2265 6467  e244\" class=\"edg\n+00022a40: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00022a50: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n+00022a60: 616c 6426 2334 353b 2667 743b 6d6f 6475  ald&#45;&gt;modu\n+00022a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n+00022a80: 6172 6477 6172 653c 2f74 6974 6c65 3e0a  ardware</title>.\n+00022a90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00022aa0: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00022ab0: 3d22 4d36 3638 2e31 352c 2d33 3937 2e30  =\"M668.15,-397.0\n+00022ac0: 3643 3633 312e 3838 2c2d 3338 302e 3537  6C631.88,-380.57\n+00022ad0: 2035 3631 2c2d 3334 302e 3820 3536 312c   561,-340.8 561,\n+00022ae0: 2d32 3831 2e39 3220 3536 312c 2d32 3831  -281.92 561,-281\n+00022af0: 2e39 3220 3536 312c 2d32 3831 2e39 3220  .92 561,-281.92 \n+00022b00: 3536 312c 2d32 3137 2e30 3520 3536 312c  561,-217.05 561,\n+00022b10: 2d31 3437 2e33 2031 3637 312e 3136 2c2d  -147.3 1671.16,-\n+00022b20: 3130 332e 3838 2031 3932 302e 3633 2c2d  103.88 1920.63,-\n+00022b30: 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2066  95\"/>.<polygon f\n+00022b40: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+00022b50: 3d22 7265 6422 2070 6f69 6e74 733d 2231  =\"red\" points=\"1\n+00022b60: 3932 302e 3937 2c2d 3938 2e34 3920 3139  920.97,-98.49 19\n+00022b70: 3330 2e38 342c 2d39 342e 3634 2031 3932  30.84,-94.64 192\n+00022b80: 302e 3733 2c2d 3931 2e34 3920 3139 3230  0.73,-91.49 1920\n+00022b90: 2e39 372c 2d39 382e 3439 222f 3e0a 3c2f  .97,-98.49\"/>.</\n+00022ba0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00022bb0: 7263 5f67 726f 6d61 6373 5f6d 6174 6826  rc_gromacs_math&\n+00022bc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00022bd0: 7263 5f67 726f 6d61 6373 5f6d 6473 7061  rc_gromacs_mdspa\n+00022be0: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467  n -->.<g id=\"edg\n+00022bf0: 6532 3435 2220 636c 6173 733d 2265 6467  e245\" class=\"edg\n+00022c00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00022c10: 655f 7372 635f 6772 6f6d 6163 735f 6d61  e_src_gromacs_ma\n+00022c20: 7468 2623 3435 3b26 6774 3b6d 6f64 756c  th&#45;&gt;modul\n+00022c30: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00022c40: 7370 616e 3c2f 7469 746c 653e 0a3c 7061  span</title>.<pa\n+00022c50: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00022c60: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n+00022c70: 3231 3939 2e35 332c 2d37 392e 3836 4332  2199.53,-79.86C2\n+00022c80: 3230 372e 3333 2c2d 3731 2e33 3820 3232  207.33,-71.38 22\n+00022c90: 3138 2e31 342c 2d35 392e 3633 2032 3232  18.14,-59.63 222\n+00022ca0: 372e 3237 2c2d 3439 2e37 3122 2f3e 0a3c  7.27,-49.71\"/>.<\n+00022cb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00022cc0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00022cd0: 706f 696e 7473 3d22 3232 3239 2e39 342c  points=\"2229.94,\n+00022ce0: 2d35 312e 3938 2032 3233 342e 3133 2c2d  -51.98 2234.13,-\n+00022cf0: 3432 2e32 3520 3232 3234 2e37 392c 2d34  42.25 2224.79,-4\n+00022d00: 372e 3234 2032 3232 392e 3934 2c2d 3531  7.24 2229.94,-51\n+00022d10: 2e39 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .98\"/>.</g>.<!--\n+00022d20: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00022d30: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00022d40: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+00022d50: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00022d60: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+00022d70: 2265 6467 6532 3438 2220 636c 6173 733d  \"edge248\" class=\n+00022d80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00022d90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00022da0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00022db0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00022dc0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00022dd0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+00022de0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00022df0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00022e00: 3d22 4d31 3739 342e 3634 2c2d 3534 352e  =\"M1794.64,-545.\n+00022e10: 3837 4331 3830 302e 3337 2c2d 3535 352e  87C1800.37,-555.\n+00022e20: 3520 3138 3038 2e31 382c 2d35 3639 2e32  5 1808.18,-569.2\n+00022e30: 3520 3138 3134 2c2d 3538 312e 3833 2031  5 1814,-581.83 1\n+00022e40: 3832 302e 3236 2c2d 3539 352e 3337 2031  820.26,-595.37 1\n+00022e50: 3930 352e 3335 2c2d 3831 382e 3633 2031  905.35,-818.63 1\n+00022e60: 3930 382c 2d38 3333 2e33 3120 3139 3135  908,-833.31 1915\n+00022e70: 2e31 2c2d 3837 322e 3536 2031 3932 322e  .1,-872.56 1922.\n+00022e80: 3833 2c2d 3838 362e 3033 2031 3930 382c  83,-886.03 1908,\n+00022e90: 2d39 3233 2e30 3520 3138 3736 2e39 2c2d  -923.05 1876.9,-\n+00022ea0: 3130 3030 2e36 3920 3138 3436 2e34 382c  1000.69 1846.48,\n+00022eb0: 2d31 3031 392e 3838 2031 3736 382c 2d31  -1019.88 1768,-1\n+00022ec0: 3034 382e 3739 2031 3637 332e 3537 2c2d  048.79 1673.57,-\n+00022ed0: 3130 3833 2e35 3720 3936 332e 312c 2d31  1083.57 963.1,-1\n+00022ee0: 3037 342e 3433 2038 3633 2c2d 3130 3834  074.43 863,-1084\n+00022ef0: 2e37 3920 3835 322e 372c 2d31 3038 352e  .79 852.7,-1085.\n+00022f00: 3836 2038 3431 2e36 362c 2d31 3038 372e  86 841.66,-1087.\n+00022f10: 3436 2038 3331 2e33 332c 2d31 3038 392e  46 831.33,-1089.\n+00022f20: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066  16\"/>.<polygon f\n+00022f30: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00022f40: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00022f50: 6f69 6e74 733d 2238 3330 2e35 362c 2d31  oints=\"830.56,-1\n+00022f60: 3038 352e 3735 2038 3231 2e33 2c2d 3130  085.75 821.3,-10\n+00022f70: 3930 2e38 3920 3833 312e 3735 2c2d 3130  90.89 831.75,-10\n+00022f80: 3932 2e36 3420 3833 302e 3536 2c2d 3130  92.64 830.56,-10\n+00022f90: 3835 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21  85.75\"/>.</g>.<!\n+00022fa0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00022fb0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00022fc0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00022fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00022fe0: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n+00022ff0: 3d22 6564 6765 3235 3622 2063 6c61 7373  =\"edge256\" class\n+00023000: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00023010: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023020: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+00023030: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00023040: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00023050: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n+00023060: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00023070: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00023080: 3d22 4d31 3738 322e 3038 2c2d 3534 352e  =\"M1782.08,-545.\n+00023090: 3834 4331 3736 372e 3631 2c2d 3538 302e  84C1767.61,-580.\n+000230a0: 3834 2031 3732 312e 3831 2c2d 3638 312e  84 1721.81,-681.\n+000230b0: 3037 2031 3635 322c 2d37 3334 2e34 3420  07 1652,-734.44 \n+000230c0: 3134 3831 2e33 382c 2d38 3634 2e38 3820  1481.38,-864.88 \n+000230d0: 3133 3930 2e37 2c2d 3739 372e 3134 2031  1390.7,-797.14 1\n+000230e0: 3137 392c 2d38 3333 2e33 3120 3131 3139  179,-833.31 1119\n+000230f0: 2e31 352c 2d38 3433 2e35 3420 3934 352e  .15,-843.54 945.\n+00023100: 3935 2c2d 3838 322e 3631 2038 3639 2e32  95,-882.61 869.2\n+00023110: 382c 2d39 3030 2e30 3922 2f3e 0a3c 706f  8,-900.09\"/>.<po\n+00023120: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+00023130: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+00023140: 6266 6266 2220 706f 696e 7473 3d22 3836  bfbf\" points=\"86\n+00023150: 382e 3039 2c2d 3839 362e 3737 2038 3539  8.09,-896.77 859\n+00023160: 2e31 322c 2d39 3032 2e34 2038 3639 2e36  .12,-902.4 869.6\n+00023170: 352c 2d39 3033 2e35 3920 3836 382e 3039  5,-903.59 868.09\n+00023180: 2c2d 3839 362e 3737 222f 3e0a 3c2f 673e  ,-896.77\"/>.</g>\n+00023190: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000231a0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+000231b0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+000231c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000231d0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n+000231e0: 2069 643d 2265 6467 6532 3530 2220 636c   id=\"edge250\" cl\n+000231f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00023200: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00023210: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00023220: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00023230: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023240: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n+00023250: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00023260: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00023270: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00023280: 6179 3d22 352c 3222 2064 3d22 4d31 3738  ay=\"5,2\" d=\"M178\n+00023290: 342e 3038 2c2d 3531 382e 3831 4331 3737  4.08,-518.81C177\n+000232a0: 372e 3834 2c2d 3439 332e 3536 2031 3736  7.84,-493.56 176\n+000232b0: 312e 3539 2c2d 3433 352e 3534 2031 3733  1.59,-435.54 173\n+000232c0: 352c 2d33 3933 2e32 3220 3137 3134 2e34  5,-393.22 1714.4\n+000232d0: 352c 2d33 3630 2e35 3220 3137 3039 2e30  5,-360.52 1709.0\n+000232e0: 322c 2d33 3438 2e36 3420 3136 3735 2c2d  2,-348.64 1675,-\n+000232f0: 3333 302e 3335 2031 3535 362e 3137 2c2d  330.35 1556.17,-\n+00023300: 3236 362e 3437 2031 3133 362e 3538 2c2d  266.47 1136.58,-\n+00023310: 3233 312e 3936 2039 3937 2e33 312c 2d32  231.96 997.31,-2\n+00023320: 3232 2e30 3622 2f3e 0a3c 706f 6c79 676f  22.06\"/>.<polygo\n+00023330: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00023340: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00023350: 2220 706f 696e 7473 3d22 3939 372e 3232  \" points=\"997.22\n+00023360: 2c2d 3231 382e 3535 2039 3837 2c2d 3232  ,-218.55 987,-22\n+00023370: 312e 3334 2039 3936 2e37 332c 2d32 3235  1.34 996.73,-225\n+00023380: 2e35 3320 3939 372e 3232 2c2d 3231 382e  .53 997.22,-218.\n+00023390: 3535 222f 3e0a 3c2f 673e 0a3c 212d 2d20  55\"/>.</g>.<!-- \n+000233a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000233b0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+000233c0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000233d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+000233e0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67  unutility -->.<g\n+000233f0: 2069 643d 2265 6467 6532 3531 2220 636c   id=\"edge251\" cl\n+00023400: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00023410: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00023420: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00023430: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00023440: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023450: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n+00023460: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00023470: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00023480: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+00023490: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+000234a0: 3d22 4d31 3735 352e 3738 2c2d 3534 332e  =\"M1755.78,-543.\n+000234b0: 3637 4331 3731 302e 3639 2c2d 3535 382e  67C1710.69,-558.\n+000234c0: 3433 2031 3632 342e 3636 2c2d 3538 362e  43 1624.66,-586.\n+000234d0: 3333 2031 3535 312c 2d36 3038 2e37 2031  33 1551,-608.7 1\n+000234e0: 3530 382e 3233 2c2d 3632 312e 3639 2031  508.23,-621.69 1\n+000234f0: 3435 392e 3037 2c2d 3633 352e 3736 2031  459.07,-635.76 1\n+00023500: 3432 352e 3033 2c2d 3634 352e 3337 222f  425.03,-645.37\"/\n+00023510: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00023520: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00023530: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+00023540: 733d 2231 3432 332e 3635 2c2d 3634 322e  s=\"1423.65,-642.\n+00023550: 3133 2031 3431 342e 3937 2c2d 3634 382e  13 1414.97,-648.\n+00023560: 3231 2031 3432 352e 3535 2c2d 3634 382e  21 1425.55,-648.\n+00023570: 3836 2031 3432 332e 3635 2c2d 3634 322e  86 1423.65,-642.\n+00023580: 3133 222f 3e0a 3c2f 673e 0a3c 212d 2d20  13\"/>.</g>.<!-- \n+00023590: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000235a0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+000235b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000235c0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n+000235d0: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265  pat -->.<g id=\"e\n+000235e0: 6467 6532 3535 2220 636c 6173 733d 2265  dge255\" class=\"e\n+000235f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00023600: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023610: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n+00023620: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00023630: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n+00023640: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00023650: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00023660: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00023670: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00023680: 3222 2064 3d22 4d31 3738 352e 3537 2c2d  2\" d=\"M1785.57,-\n+00023690: 3531 382e 3736 4331 3738 332e 3733 2c2d  518.76C1783.73,-\n+000236a0: 3530 332e 3731 2031 3738 302e 3134 2c2d  503.71 1780.14,-\n+000236b0: 3437 372e 3836 2031 3737 352c 2d34 3536  477.86 1775,-456\n+000236c0: 2e30 3920 3137 3631 2e38 352c 2d34 3030  .09 1761.85,-400\n+000236d0: 2e34 2031 3733 392e 392c 2d33 3336 2e36  .4 1739.9,-336.6\n+000236e0: 3720 3137 3238 2e31 2c2d 3330 332e 3931  7 1728.1,-303.91\n+000236f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00023700: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00023710: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00023720: 6e74 733d 2231 3733 312e 3336 2c2d 3330  nts=\"1731.36,-30\n+00023730: 322e 3632 2031 3732 342e 3635 2c2d 3239  2.62 1724.65,-29\n+00023740: 342e 3431 2031 3732 342e 3738 2c2d 3330  4.41 1724.78,-30\n+00023750: 352e 3031 2031 3733 312e 3336 2c2d 3330  5.01 1731.36,-30\n+00023760: 322e 3632 222f 3e0a 3c2f 673e 0a3c 212d  2.62\"/>.</g>.<!-\n+00023770: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00023780: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00023790: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+000237a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000237b0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+000237c0: 6564 6765 3235 3722 2063 6c61 7373 3d22  edge257\" class=\"\n+000237d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000237e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000237f0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n+00023800: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00023810: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00023820: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00023830: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00023840: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00023850: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00023860: 3222 2064 3d22 4d31 3736 312e 3939 2c2d  2\" d=\"M1761.99,-\n+00023870: 3532 302e 3134 4331 3730 392e 3134 2c2d  520.14C1709.14,-\n+00023880: 3439 362e 3338 2031 3538 322e 3134 2c2d  496.38 1582.14,-\n+00023890: 3433 392e 3520 3134 3735 2c2d 3339 332e  439.5 1475,-393.\n+000238a0: 3232 2031 3434 362e 3131 2c2d 3338 302e  22 1446.11,-380.\n+000238b0: 3734 2031 3431 322e 3939 2c2d 3336 362e  74 1412.99,-366.\n+000238c0: 3833 2031 3338 392e 3733 2c2d 3335 372e  83 1389.73,-357.\n+000238d0: 3133 222f 3e0a 3c70 6f6c 7967 6f6e 2066  13\"/>.<polygon f\n+000238e0: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+000238f0: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00023900: 6f69 6e74 733d 2231 3339 302e 3938 2c2d  oints=\"1390.98,-\n+00023910: 3335 332e 3836 2031 3338 302e 3431 2c2d  353.86 1380.41,-\n+00023920: 3335 332e 3235 2031 3338 382e 3239 2c2d  353.25 1388.29,-\n+00023930: 3336 302e 3332 2031 3339 302e 3938 2c2d  360.32 1390.98,-\n+00023940: 3335 332e 3836 222f 3e0a 3c2f 673e 0a3c  353.86\"/>.</g>.<\n+00023950: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00023960: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+00023970: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n+00023980: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00023990: 5f67 6d78 7072 6570 726f 6365 7373 202d  _gmxpreprocess -\n+000239a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235  ->.<g id=\"edge25\n+000239b0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+000239c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000239d0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+000239e0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n+000239f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00023a00: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+00023a10: 7373 3c2f 7469 746c 653e 0a3c 7061 7468  ss</title>.<path\n+00023a20: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00023a30: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n+00023a40: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00023a50: 352c 3222 2064 3d22 4d31 3833 362e 3033  5,2\" d=\"M1836.03\n+00023a60: 2c2d 3533 392e 3133 4331 3932 302e 3939  ,-539.13C1920.99\n+00023a70: 2c2d 3535 312e 3939 2032 3039 332e 3631  ,-551.99 2093.61\n+00023a80: 2c2d 3539 312e 3736 2032 3136 382c 2d37  ,-591.76 2168,-7\n+00023a90: 3037 2e35 3720 3232 3034 2e39 372c 2d37  07.57 2204.97,-7\n+00023aa0: 3635 2e31 3320 3231 3732 2e32 342c 2d37  65.13 2172.24,-7\n+00023ab0: 3936 2e32 3120 3231 3438 2c2d 3836 302e  96.21 2148,-860.\n+00023ac0: 3138 2032 3038 312e 3339 2c2d 3130 3335  18 2081.39,-1035\n+00023ad0: 2e39 3720 3230 3332 2e38 372c 2d31 3038  .97 2032.87,-108\n+00023ae0: 392e 3932 2031 3836 352c 2d31 3137 342e  9.92 1865,-1174.\n+00023af0: 3533 2031 3831 332e 3832 2c2d 3132 3030  53 1813.82,-1200\n+00023b00: 2e33 3320 3136 3535 2e37 382c 2d31 3231  .33 1655.78,-121\n+00023b10: 332e 3639 2031 3536 342e 3635 2c2d 3132  3.69 1564.65,-12\n+00023b20: 3139 2e34 3222 2f3e 0a3c 706f 6c79 676f  19.42\"/>.<polygo\n+00023b30: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n+00023b40: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00023b50: 2220 706f 696e 7473 3d22 3135 3634 2e31  \" points=\"1564.1\n+00023b60: 392c 2d31 3231 352e 3934 2031 3535 342e  9,-1215.94 1554.\n+00023b70: 3432 2c2d 3132 3230 2e30 3520 3135 3634  42,-1220.05 1564\n+00023b80: 2e36 322c 2d31 3232 322e 3933 2031 3536  .62,-1222.93 156\n+00023b90: 342e 3139 2c2d 3132 3135 2e39 3422 2f3e  4.19,-1215.94\"/>\n+00023ba0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00023bb0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+00023bc0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n+00023bd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00023be0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00023bf0: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n+00023c00: 6467 6532 3436 2220 636c 6173 733d 2265  dge246\" class=\"e\n+00023c10: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00023c20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023c30: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n+00023c40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00023c50: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n+00023c60: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n+00023c70: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00023c80: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n+00023c90: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00023ca0: 2235 2c32 2220 643d 224d 3137 3932 2e37  \"5,2\" d=\"M1792.7\n+00023cb0: 392c 2d35 3435 2e39 3543 3138 3033 2e33  9,-545.95C1803.3\n+00023cc0: 362c 2d35 3730 2e36 3620 3138 3233 2e33  6,-570.66 1823.3\n+00023cd0: 322c 2d36 3237 2e30 3620 3138 3038 2c2d  2,-627.06 1808,-\n+00023ce0: 3637 312e 3537 2031 3738 352e 3333 2c2d  671.57 1785.33,-\n+00023cf0: 3733 372e 3435 2031 3732 362e 3338 2c2d  737.45 1726.38,-\n+00023d00: 3739 372e 3532 2031 3639 342e 3033 2c2d  797.52 1694.03,-\n+00023d10: 3832 362e 3836 222f 3e0a 3c70 6f6c 7967  826.86\"/>.<polyg\n+00023d20: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n+00023d30: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n+00023d40: 6f69 6e74 733d 2231 3639 312e 3536 2c2d  oints=\"1691.56,-\n+00023d50: 3832 342e 3338 2031 3638 362e 3432 2c2d  824.38 1686.42,-\n+00023d60: 3833 332e 3634 2031 3639 362e 3232 2c2d  833.64 1696.22,-\n+00023d70: 3832 392e 3620 3136 3931 2e35 362c 2d38  829.6 1691.56,-8\n+00023d80: 3234 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21  24.38\"/>.</g>.<!\n+00023d90: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00023da0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00023db0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00023dc0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023dd0: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n+00023de0: 6964 3d22 6564 6765 3235 3822 2063 6c61  id=\"edge258\" cla\n+00023df0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00023e00: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00023e10: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00023e20: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+00023e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n+00023e40: 6172 6477 6172 653c 2f74 6974 6c65 3e0a  ardware</title>.\n+00023e50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00023e60: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00023e70: 3d22 4d31 3739 342e 3839 2c2d 3531 382e  =\"M1794.89,-518.\n+00023e80: 3932 4331 3830 302e 382c 2d35 3039 2e33  92C1800.8,-509.3\n+00023e90: 2031 3830 382e 392c 2d34 3935 2e35 3520   1808.9,-495.55 \n+00023ea0: 3138 3135 2c2d 3438 322e 3936 2031 3838  1815,-482.96 188\n+00023eb0: 302e 3931 2c2d 3334 3720 3139 3431 2e38  0.91,-347 1941.8\n+00023ec0: 322c 2d31 3735 2e33 3920 3139 3632 2e35  2,-175.39 1962.5\n+00023ed0: 332c 2d31 3135 2e32 3922 2f3e 0a3c 706f  3,-115.29\"/>.<po\n+00023ee0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00023ef0: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00023f00: 696e 7473 3d22 3139 3635 2e38 382c 2d31  ints=\"1965.88,-1\n+00023f10: 3136 2e33 2031 3936 352e 3831 2c2d 3130  16.3 1965.81,-10\n+00023f20: 352e 3720 3139 3539 2e32 362c 2d31 3134  5.7 1959.26,-114\n+00023f30: 2e30 3320 3139 3635 2e38 382c 2d31 3136  .03 1965.88,-116\n+00023f40: 2e33 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .3\"/>.</g>.<!-- \n+00023f50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023f60: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+00023f70: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00023f80: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+00023f90: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265  pan -->.<g id=\"e\n+00023fa0: 6467 6532 3539 2220 636c 6173 733d 2265  dge259\" class=\"e\n+00023fb0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00023fc0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023fd0: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n+00023fe0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00023ff0: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n+00024000: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00024010: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00024020: 653d 2272 6564 2220 643d 224d 3137 3936  e=\"red\" d=\"M1796\n+00024030: 2e39 2c2d 3531 392e 3038 4331 3833 382e  .9,-519.08C1838.\n+00024040: 3637 2c2d 3436 372e 3137 2031 3939 382e  67,-467.17 1998.\n+00024050: 3338 2c2d 3236 382e 3733 2032 3030 302c  38,-268.73 2000,\n+00024060: 2d32 3637 2e34 3820 3230 3834 2e38 382c  -267.48 2084.88,\n+00024070: 2d32 3032 2032 3135 332e 3936 2c2d 3235  -202 2153.96,-25\n+00024080: 332e 3035 2032 3232 302c 2d31 3638 2e36  3.05 2220,-168.6\n+00024090: 3120 3232 3436 2e32 332c 2d31 3335 2e30  1 2246.23,-135.0\n+000240a0: 3720 3232 3438 2e33 312c 2d38 322e 3936  7 2248.31,-82.96\n+000240b0: 2032 3234 362e 3938 2c2d 3533 2e32 3522   2246.98,-53.25\"\n+000240c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000240d0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+000240e0: 6564 2220 706f 696e 7473 3d22 3232 3530  ed\" points=\"2250\n+000240f0: 2e34 362c 2d35 322e 3831 2032 3234 362e  .46,-52.81 2246.\n+00024100: 3334 2c2d 3433 2e30 3420 3232 3433 2e34  34,-43.04 2243.4\n+00024110: 372c 2d35 332e 3234 2032 3235 302e 3436  7,-53.24 2250.46\n+00024120: 2c2d 3532 2e38 3122 2f3e 0a3c 2f67 3e0a  ,-52.81\"/>.</g>.\n+00024130: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00024140: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00024150: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00024160: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00024170: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67  s_options -->.<g\n+00024180: 2069 643d 2265 6467 6532 3439 2220 636c   id=\"edge249\" cl\n+00024190: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000241a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000241b0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+000241c0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+000241d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000241e0: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a  options</title>.\n+000241f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00024200: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00024210: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00024220: 793d 2235 2c32 2220 643d 224d 3138 3137  y=\"5,2\" d=\"M1817\n+00024230: 2e32 362c 2d35 3230 2e39 3343 3138 3438  .26,-520.93C1848\n+00024240: 2e33 342c 2d35 3130 2e31 3820 3138 3936  .34,-510.18 1896\n+00024250: 2e36 342c 2d34 3933 2e34 3820 3139 3239  .64,-493.48 1929\n+00024260: 2e30 322c 2d34 3832 2e32 3822 2f3e 0a3c  .02,-482.28\"/>.<\n+00024270: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n+00024280: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n+00024290: 636b 2220 706f 696e 7473 3d22 3139 3330  ck\" points=\"1930\n+000242a0: 2e32 312c 2d34 3835 2e35 3720 3139 3338  .21,-485.57 1938\n+000242b0: 2e35 322c 2d34 3738 2e39 3920 3139 3237  .52,-478.99 1927\n+000242c0: 2e39 332c 2d34 3738 2e39 3520 3139 3330  .93,-478.95 1930\n+000242d0: 2e32 312c 2d34 3835 2e35 3722 2f3e 0a3c  .21,-485.57\"/>.<\n+000242e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000242f0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00024300: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n+00024310: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00024320: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n+00024330: 0a3c 6720 6964 3d22 6564 6765 3234 3722  .<g id=\"edge247\"\n+00024340: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00024350: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00024360: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00024370: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+00024380: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00024390: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n+000243a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000243b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+000243c0: 6662 6622 2064 3d22 4d31 3736 372e 3635  fbf\" d=\"M1767.65\n+000243d0: 2c2d 3534 352e 3334 4331 3730 312e 3134  ,-545.34C1701.14\n+000243e0: 2c2d 3538 362e 3431 2031 3438 312e 3935  ,-586.41 1481.95\n+000243f0: 2c2d 3732 312e 3737 2031 3430 372e 3738  ,-721.77 1407.78\n+00024400: 2c2d 3736 372e 3537 222f 3e0a 3c70 6f6c  ,-767.57\"/>.<pol\n+00024410: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00024420: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00024430: 6662 6622 2070 6f69 6e74 733d 2231 3430  fbf\" points=\"140\n+00024440: 352e 3736 2c2d 3736 342e 3731 2031 3339  5.76,-764.71 139\n+00024450: 392e 3039 2c2d 3737 322e 3934 2031 3430  9.09,-772.94 140\n+00024460: 392e 3433 2c2d 3737 302e 3637 2031 3430  9.43,-770.67 140\n+00024470: 352e 3736 2c2d 3736 342e 3731 222f 3e0a  5.76,-764.71\"/>.\n+00024480: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00024490: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n+000244a0: 6c69 6564 5f66 6f72 6365 7326 2334 353b  lied_forces&#45;\n+000244b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000244c0: 726f 6d61 6373 5f65 7761 6c64 202d 2d3e  romacs_ewald -->\n+000244d0: 0a3c 6720 6964 3d22 6564 6765 3236 3022  .<g id=\"edge260\"\n+000244e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000244f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00024500: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00024510: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+00024520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00024530: 6373 5f65 7761 6c64 3c2f 7469 746c 653e  cs_ewald</title>\n+00024540: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00024550: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00024560: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00024570: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+00024580: 3733 342e 3332 2c2d 3532 372e 3432 4331  734.32,-527.42C1\n+00024590: 3634 332e 3033 2c2d 3532 302e 3239 2031  643.03,-520.29 1\n+000245a0: 3434 392e 362c 2d35 3034 2e30 3520 3132  449.6,-504.05 12\n+000245b0: 3837 2c2d 3438 322e 3936 2031 3231 332e  87,-482.96 1213.\n+000245c0: 3332 2c2d 3437 332e 3420 3131 3935 2e36  32,-473.4 1195.6\n+000245d0: 312c 2d34 3636 2e31 3920 3131 3232 2c2d  1,-466.19 1122,-\n+000245e0: 3435 362e 3039 2039 3736 2e33 352c 2d34  456.09 976.35,-4\n+000245f0: 3336 2e31 2038 3032 2e32 382c 2d34 3138  36.1 802.28,-418\n+00024600: 2e35 3420 3732 362e 3839 2c2d 3431 312e  .54 726.89,-411.\n+00024610: 3235 222f 3e0a 3c70 6f6c 7967 6f6e 2066  25\"/>.<polygon f\n+00024620: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00024630: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00024640: 6f69 6e74 733d 2237 3237 2e32 312c 2d34  oints=\"727.21,-4\n+00024650: 3037 2e37 3620 3731 362e 3932 2c2d 3431  07.76 716.92,-41\n+00024660: 302e 3239 2037 3236 2e35 342c 2d34 3134  0.29 726.54,-414\n+00024670: 2e37 3320 3732 372e 3231 2c2d 3430 372e  .73 727.21,-407.\n+00024680: 3736 222f 3e0a 3c2f 673e 0a3c 212d 2d20  76\"/>.</g>.<!-- \n+00024690: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000246a0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+000246b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000246c0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n+000246d0: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265  dom -->.<g id=\"e\n+000246e0: 6467 6532 3534 2220 636c 6173 733d 2265  dge254\" class=\"e\n+000246f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00024700: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00024710: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n+00024720: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00024730: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d  c_gromacs_random\n+00024740: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00024750: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00024760: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n+00024770: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00024780: 2064 3d22 4d31 3734 392e 3335 2c2d 3532   d=\"M1749.35,-52\n+00024790: 322e 3239 4331 3538 382e 3134 2c2d 3438  2.29C1588.14,-48\n+000247a0: 332e 3332 2039 3536 2e37 352c 2d33 3330  3.32 956.75,-330\n+000247b0: 2e36 3920 3739 332e 3633 2c2d 3239 312e  .69 793.63,-291.\n+000247c0: 3235 222f 3e0a 3c70 6f6c 7967 6f6e 2066  25\"/>.<polygon f\n+000247d0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+000247e0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+000247f0: 733d 2237 3934 2e31 322c 2d32 3837 2e37  s=\"794.12,-287.7\n+00024800: 3720 3738 332e 3537 2c2d 3238 382e 3832  7 783.57,-288.82\n+00024810: 2037 3932 2e34 372c 2d32 3934 2e35 3720   792.47,-294.57 \n+00024820: 3739 342e 3132 2c2d 3238 372e 3737 222f  794.12,-287.77\"/\n+00024830: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00024840: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n+00024850: 6d64 7275 6e5f 7465 7374 7320 2d2d 3e0a  mdrun_tests -->.\n+00024860: 3c67 2069 643d 226e 6f64 6535 3022 2063  <g id=\"node50\" c\n+00024870: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n+00024880: 746c 653e 6d6f 6475 6c65 5f73 7263 5f70  tle>module_src_p\n+00024890: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n+000248a0: 7374 733c 2f74 6974 6c65 3e0a 3c67 2069  sts</title>.<g i\n+000248b0: 643d 2261 5f6e 6f64 6535 3022 3e3c 6120  d=\"a_node50\"><a \n+000248c0: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n+000248d0: 705f 5f6d 6f64 756c 655f 5f6d 6472 756e  p__module__mdrun\n+000248e0: 5f5f 696e 7465 6772 6174 696f 6e5f 5f74  __integration__t\n+000248f0: 6573 7473 2e78 6874 6d6c 2220 7461 7267  ests.xhtml\" targ\n+00024900: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n+00024910: 7469 746c 653d 226d 6472 756e 5f69 6e74  title=\"mdrun_int\n+00024920: 6567 7261 7469 6f6e 5f74 6573 7473 223e  egration_tests\">\n+00024930: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00024940: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n+00024950: 2262 6c61 636b 2220 6378 3d22 3234 3638  \"black\" cx=\"2468\n+00024960: 2220 6379 3d22 2d39 322e 3331 2220 7278  \" cy=\"-92.31\" rx\n+00024970: 3d22 3835 2e36 3222 2072 793d 2231 332e  =\"85.62\" ry=\"13.\n+00024980: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00024990: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000249a0: 2078 3d22 3234 3638 2220 793d 222d 3839   x=\"2468\" y=\"-89\n+000249b0: 2e38 3122 2066 6f6e 742d 6661 6d69 6c79  .81\" font-family\n+000249c0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+000249d0: 2d73 697a 653d 2231 302e 3030 223e 6d64  -size=\"10.00\">md\n+000249e0: 7275 6e5f 696e 7465 6772 6174 696f 6e5f  run_integration_\n+000249f0: 7465 7374 733c 2f74 6578 743e 0a3c 2f61  tests</text>.</a\n+00024a00: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+00024a10: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00024a20: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00024a30: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+00024a40: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n+00024a50: 6472 756e 5f74 6573 7473 202d 2d3e 0a3c  drun_tests -->.<\n+00024a60: 6720 6964 3d22 6564 6765 3235 3322 2063  g id=\"edge253\" c\n+00024a70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00024a80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00024a90: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+00024aa0: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n+00024ab0: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n+00024ac0: 735f 6d64 7275 6e5f 7465 7374 733c 2f74  s_mdrun_tests</t\n+00024ad0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00024ae0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00024af0: 7265 6422 2064 3d22 4d31 3834 332e 342c  red\" d=\"M1843.4,\n+00024b00: 2d35 3330 2e38 3943 3139 3538 2e30 372c  -530.89C1958.07,\n+00024b10: 2d35 3236 2e37 3720 3232 3230 2e30 342c  -526.77 2220.04,\n+00024b20: 2d35 3031 2e31 3120 3233 3638 2c2d 3335  -501.11 2368,-35\n+00024b30: 372e 3232 2032 3433 382e 3231 2c2d 3238  7.22 2438.21,-28\n+00024b40: 382e 3934 2032 3435 392e 3735 2c2d 3136  8.94 2459.75,-16\n+00024b50: 362e 3339 2032 3436 352e 3831 2c2d 3131  6.39 2465.81,-11\n+00024b60: 352e 3935 222f 3e0a 3c70 6f6c 7967 6f6e  5.95\"/>.<polygon\n+00024b70: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+00024b80: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+00024b90: 2232 3436 392e 3331 2c2d 3131 362e 3132  \"2469.31,-116.12\n+00024ba0: 2032 3436 362e 3934 2c2d 3130 352e 3739   2466.94,-105.79\n+00024bb0: 2032 3436 322e 3336 2c2d 3131 352e 3335   2462.36,-115.35\n+00024bc0: 2032 3436 392e 3331 2c2d 3131 362e 3132   2469.31,-116.12\n+00024bd0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00024be0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00024bf0: 5f73 696d 6420 2d2d 3e0a 3c67 2069 643d  _simd -->.<g id=\n+00024c00: 226e 6f64 6534 3622 2063 6c61 7373 3d22  \"node46\" class=\"\n+00024c10: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00024c20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00024c30: 5f73 696d 643c 2f74 6974 6c65 3e0a 3c67  _simd</title>.<g\n+00024c40: 2069 643d 2261 5f6e 6f64 6534 3622 3e3c   id=\"a_node46\"><\n+00024c50: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n+00024c60: 6f75 705f 5f6d 6f64 756c 655f 5f73 696d  oup__module__sim\n+00024c70: 642e 7868 746d 6c22 2074 6172 6765 743d  d.xhtml\" target=\n+00024c80: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+00024c90: 6c65 3d22 7369 6d64 223e 0a3c 656c 6c69  le=\"simd\">.<elli\n+00024ca0: 7073 6520 6669 6c6c 3d22 2366 6665 3463  pse fill=\"#ffe4c\n+00024cb0: 6322 2073 7472 6f6b 653d 2262 6c61 636b  c\" stroke=\"black\n+00024cc0: 2220 6378 3d22 3239 3622 2063 793d 222d  \" cx=\"296\" cy=\"-\n+00024cd0: 3132 3836 2e38 3422 2072 783d 2232 3722  1286.84\" rx=\"27\"\n+00024ce0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00024cf0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00024d00: 226d 6964 646c 6522 2078 3d22 3239 3622  \"middle\" x=\"296\"\n+00024d10: 2079 3d22 2d31 3238 342e 3334 2220 666f   y=\"-1284.34\" fo\n+00024d20: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n+00024d30: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n+00024d40: 3130 2e30 3022 3e73 696d 643c 2f74 6578  10.00\">simd</tex\n+00024d50: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+00024d60: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00024d70: 635f 6772 6f6d 6163 735f 656e 6572 6779  c_gromacs_energy\n+00024d80: 616e 616c 7973 6973 202d 2d3e 0a3c 6720  analysis -->.<g \n+00024d90: 6964 3d22 6e6f 6465 3437 2220 636c 6173  id=\"node47\" clas\n+00024da0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+00024db0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00024dc0: 6163 735f 656e 6572 6779 616e 616c 7973  acs_energyanalys\n+00024dd0: 6973 3c2f 7469 746c 653e 0a3c 6720 6964  is</title>.<g id\n+00024de0: 3d22 615f 6e6f 6465 3437 223e 3c61 2078  =\"a_node47\"><a x\n+00024df0: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+00024e00: 5f5f 6d6f 6475 6c65 5f5f 656e 6572 6779  __module__energy\n+00024e10: 616e 616c 7973 6973 2e78 6874 6d6c 2220  analysis.xhtml\" \n+00024e20: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+00024e30: 696e 6b3a 7469 746c 653d 2265 6e65 7267  ink:title=\"energ\n+00024e40: 7961 6e61 6c79 7369 7322 3e0a 3c65 6c6c  yanalysis\">.<ell\n+00024e50: 6970 7365 2066 696c 6c3d 2223 6666 6363  ipse fill=\"#ffcc\n+00024e60: 6363 2220 7374 726f 6b65 3d22 626c 6163  cc\" stroke=\"blac\n+00024e70: 6b22 2063 783d 2231 3432 3722 2063 793d  k\" cx=\"1427\" cy=\n+00024e80: 222d 3930 392e 3632 2220 7278 3d22 3536  \"-909.62\" rx=\"56\n+00024e90: 2e36 3422 2072 793d 2231 332e 3337 222f  .64\" ry=\"13.37\"/\n+00024ea0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+00024eb0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+00024ec0: 3134 3237 2220 793d 222d 3930 372e 3132  1427\" y=\"-907.12\n+00024ed0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+00024ee0: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+00024ef0: 7a65 3d22 3130 2e30 3022 3e65 6e65 7267  ze=\"10.00\">energ\n+00024f00: 7961 6e61 6c79 7369 733c 2f74 6578 743e  yanalysis</text>\n+00024f10: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00024f20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00024f30: 6772 6f6d 6163 735f 656e 6572 6779 616e  gromacs_energyan\n+00024f40: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n 00024f50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024f60: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069  s_mdrun -->.<g i\n-00024f70: 643d 2265 6467 6532 3435 2220 636c 6173  d=\"edge245\" clas\n-00024f80: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00024f90: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00024fa0: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00024fb0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00024fc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00024fd0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468  un</title>.<path\n-00024fe0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00024ff0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00025000: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00025010: 352c 3222 2064 3d22 4d31 3338 392e 3938  5,2\" d=\"M1389.98\n-00025020: 2c2d 3130 3834 2e35 3643 3133 3834 2e38  ,-1084.56C1384.8\n-00025030: 372c 2d31 3034 302e 3531 2031 3337 302e  7,-1040.51 1370.\n-00025040: 3535 2c2d 3839 302e 3231 2031 3339 362e  55,-890.21 1396.\n-00025050: 3536 2c2d 3737 302e 3434 2031 3430 392e  56,-770.44 1409.\n-00025060: 352c 2d37 3130 2e38 3320 3134 3231 2e34  5,-710.83 1421.4\n-00025070: 322c 2d36 3937 2e37 3320 3134 3531 2e35  2,-697.73 1451.5\n-00025080: 362c 2d36 3434 2e37 2031 3438 352e 3532  6,-644.7 1485.52\n-00025090: 2c2d 3538 342e 3935 2031 3439 302e 3731  ,-584.95 1490.71\n-000250a0: 2c2d 3536 352e 3139 2031 3534 312e 3536  ,-565.19 1541.56\n-000250b0: 2c2d 3531 382e 3936 2031 3536 352e 3134  ,-518.96 1565.14\n-000250c0: 2c2d 3439 372e 3533 2031 3537 362e 3033  ,-497.53 1576.03\n-000250d0: 2c2d 3439 3920 3136 3033 2e35 362c 2d34  ,-499 1603.56,-4\n-000250e0: 3832 2e39 3620 3136 3234 2e30 322c 2d34  82.96 1624.02,-4\n-000250f0: 3731 2e30 3420 3136 3238 2e31 382c 2d34  71.04 1628.18,-4\n-00025100: 3636 2e32 3620 3136 3439 2e35 362c 2d34  66.26 1649.56,-4\n-00025110: 3536 2e30 3920 3136 3830 2e39 382c 2d34  56.09 1680.98,-4\n-00025120: 3431 2e31 3520 3137 3138 2e33 332c 2d34  41.15 1718.33,-4\n-00025130: 3237 2e35 3520 3137 3434 2e37 332c 2d34  27.55 1744.73,-4\n-00025140: 3138 2e36 222f 3e0a 3c70 6f6c 7967 6f6e  18.6\"/>.<polygon\n-00025150: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00025160: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00025170: 2070 6f69 6e74 733d 2231 3734 352e 3931   points=\"1745.91\n-00025180: 2c2d 3432 312e 3839 2031 3735 342e 3238  ,-421.89 1754.28\n-00025190: 2c2d 3431 352e 3420 3137 3433 2e36 392c  ,-415.4 1743.69,\n-000251a0: 2d34 3135 2e32 3620 3137 3435 2e39 312c  -415.26 1745.91,\n-000251b0: 2d34 3231 2e38 3922 2f3e 0a3c 2f67 3e0a  -421.89\"/>.</g>.\n-000251c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000251d0: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-000251e0: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n-000251f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025200: 5f6f 7074 696f 6e73 202d 2d3e 0a3c 6720  _options -->.<g \n-00025210: 6964 3d22 6564 6765 3235 3422 2063 6c61  id=\"edge254\" cla\n-00025220: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00025230: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00025240: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00025250: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n-00025260: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n-00025270: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70  tions</title>.<p\n-00025280: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00025290: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-000252a0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-000252b0: 793d 2235 2c32 2220 643d 224d 3133 3332  y=\"5,2\" d=\"M1332\n-000252c0: 2e39 392c 2d31 3039 372e 3331 4331 3039  .99,-1097.31C109\n-000252d0: 342e 3639 2c2d 3130 3936 2e38 3920 3231  4.69,-1096.89 21\n-000252e0: 302e 3536 2c2d 3130 3837 2e36 3520 3231  0.56,-1087.65 21\n-000252f0: 302e 3536 2c2d 3937 332e 3439 2032 3130  0.56,-973.49 210\n-00025300: 2e35 362c 2d39 3733 2e34 3920 3231 302e  .56,-973.49 210.\n-00025310: 3536 2c2d 3937 332e 3439 2032 3130 2e35  56,-973.49 210.5\n-00025320: 362c 2d34 3035 2e36 3620 3231 302e 3536  6,-405.66 210.56\n-00025330: 2c2d 3332 322e 3234 2031 3930 2e35 362c  ,-322.24 190.56,\n-00025340: 2d33 3032 2e34 3620 3139 302e 3536 2c2d  -302.46 190.56,-\n-00025350: 3231 392e 3035 2031 3930 2e35 362c 2d32  219.05 190.56,-2\n-00025360: 3139 2e30 3520 3139 302e 3536 2c2d 3231  19.05 190.56,-21\n-00025370: 392e 3035 2031 3930 2e35 362c 2d31 3534  9.05 190.56,-154\n-00025380: 2e31 3820 3139 302e 3536 2c2d 3130 312e  .18 190.56,-101.\n-00025390: 3334 2032 3333 2e32 332c 2d39 372e 3831  34 233.23,-97.81\n-000253a0: 2032 3832 2e35 362c 2d37 382e 3837 2033   282.56,-78.87 3\n-000253b0: 3734 2e34 392c 2d34 332e 3536 2031 3037  74.49,-43.56 107\n-000253c0: 352e 3139 2c2d 3333 2e30 3620 3132 3538  5.19,-33.06 1258\n-000253d0: 2e36 392c 2d33 302e 3922 2f3e 0a3c 706f  .69,-30.9\"/>.<po\n-000253e0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-000253f0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00025400: 3266 6363 2220 706f 696e 7473 3d22 3132  2fcc\" points=\"12\n-00025410: 3538 2e38 322c 2d33 342e 3420 3132 3638  58.82,-34.4 1268\n-00025420: 2e37 382c 2d33 302e 3738 2031 3235 382e  .78,-30.78 1258.\n-00025430: 3734 2c2d 3237 2e34 2031 3235 382e 3832  74,-27.4 1258.82\n-00025440: 2c2d 3334 2e34 222f 3e0a 3c2f 673e 0a3c  ,-34.4\"/>.</g>.<\n-00025450: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00025460: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-00025470: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n-00025480: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00025490: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964  gmxana -->.<g id\n-000254a0: 3d22 6564 6765 3235 3222 2063 6c61 7373  =\"edge252\" class\n-000254b0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-000254c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000254d0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-000254e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000254f0: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-00025500: 6e61 3c2f 7469 746c 653e 0a3c 7061 7468  na</title>.<path\n-00025510: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00025520: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00025530: 224d 3133 3339 2e39 322c 2d31 3039 312e  \"M1339.92,-1091.\n-00025540: 3843 3132 3237 2e32 342c 2d31 3037 392e  8C1227.24,-1079.\n-00025550: 3935 2039 3631 2e30 322c 2d31 3035 312e  95 961.02,-1051.\n-00025560: 3936 2038 3536 2e31 322c 2d31 3034 302e  96 856.12,-1040.\n-00025570: 3934 222f 3e0a 3c70 6f6c 7967 6f6e 2066  94\"/>.<polygon f\n-00025580: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00025590: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-000255a0: 6f69 6e74 733d 2238 3536 2e32 312c 2d31  oints=\"856.21,-1\n-000255b0: 3033 372e 3433 2038 3435 2e39 2c2d 3130  037.43 845.9,-10\n-000255c0: 3339 2e38 3620 3835 352e 3438 2c2d 3130  39.86 855.48,-10\n-000255d0: 3434 2e33 3920 3835 362e 3231 2c2d 3130  44.39 856.21,-10\n-000255e0: 3337 2e34 3322 2f3e 0a3c 2f67 3e0a 3c21  37.43\"/>.</g>.<!\n-000255f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00025600: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00025610: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00025620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-00025630: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22  wald -->.<g id=\"\n-00025640: 6564 6765 3234 3022 2063 6c61 7373 3d22  edge240\" class=\"\n-00025650: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00025660: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025670: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n-00025680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00025690: 635f 6772 6f6d 6163 735f 6577 616c 643c  c_gromacs_ewald<\n-000256a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-000256b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-000256c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-000256d0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-000256e0: 2220 643d 224d 3133 3334 2e30 342c 2d31  \" d=\"M1334.04,-1\n-000256f0: 3039 352e 3531 4331 3138 302e 3034 2c2d  095.51C1180.04,-\n-00025700: 3130 3930 2e35 3720 3736 362e 3236 2c2d  1090.57 766.26,-\n-00025710: 3130 3735 2e30 3120 3731 302e 3536 2c2d  1075.01 710.56,-\n-00025720: 3130 3438 2e37 3920 3630 352e 3232 2c2d  1048.79 605.22,-\n-00025730: 3939 392e 3231 2035 3239 2e39 312c 2d37  999.21 529.91,-7\n-00025740: 3732 2e38 3920 3532 302e 3536 2c2d 3733  72.89 520.56,-73\n-00025750: 342e 3434 2035 3137 2e37 342c 2d37 3232  4.44 517.74,-722\n-00025760: 2e38 3420 3531 342e 3838 2c2d 3731 382e  .84 514.88,-718.\n-00025770: 3038 2035 3230 2e35 362c 2d37 3037 2e35  08 520.56,-707.5\n-00025780: 3720 3533 342e 3435 2c2d 3638 312e 3837  7 534.45,-681.87\n-00025790: 2035 3539 2e32 312c 2d36 3935 2e37 3820   559.21,-695.78 \n-000257a0: 3537 352e 3536 2c2d 3637 312e 3537 2035  575.56,-671.57 5\n-000257b0: 3934 2e36 362c 2d36 3433 2e32 3920 3539  94.66,-643.29 59\n-000257c0: 302e 3536 2c2d 3633 302e 3339 2035 3930  0.56,-630.39 590\n-000257d0: 2e35 362c 2d35 3936 2e32 3720 3539 302e  .56,-596.27 590.\n-000257e0: 3536 2c2d 3539 362e 3237 2035 3930 2e35  56,-596.27 590.5\n-000257f0: 362c 2d35 3936 2e32 3720 3539 302e 3536  6,-596.27 590.56\n-00025800: 2c2d 3430 352e 3636 2035 3930 2e35 362c  ,-405.66 590.56,\n-00025810: 2d33 3036 2e31 3320 3734 342e 3738 2c2d  -306.13 744.78,-\n-00025820: 3238 362e 3420 3831 392e 3235 2c2d 3238  286.4 819.25,-28\n-00025830: 322e 3637 222f 3e0a 3c70 6f6c 7967 6f6e  2.67\"/>.<polygon\n-00025840: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00025850: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00025860: 2070 6f69 6e74 733d 2238 3139 2e37 382c   points=\"819.78,\n-00025870: 2d32 3836 2e31 3520 3832 392e 3632 2c2d  -286.15 829.62,-\n-00025880: 3238 322e 3233 2038 3139 2e34 382c 2d32  282.23 819.48,-2\n-00025890: 3739 2e31 3520 3831 392e 3738 2c2d 3238  79.15 819.78,-28\n-000258a0: 362e 3135 222f 3e0a 3c2f 673e 0a3c 212d  6.15\"/>.</g>.<!-\n-000258b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-000258c0: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-000258d0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n-000258e0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-000258f0: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n-00025900: 6564 6765 3235 3022 2063 6c61 7373 3d22  edge250\" class=\"\n-00025910: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00025920: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025930: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n-00025940: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00025950: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-00025960: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00025970: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00025980: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00025990: 3133 3938 2e36 2c2d 3130 3834 2e38 3543  1398.6,-1084.85C\n-000259a0: 3134 3231 2e33 372c 2d31 3034 342e 3836  1421.37,-1044.86\n-000259b0: 2031 3439 332e 3135 2c2d 3931 382e 3735   1493.15,-918.75\n-000259c0: 2031 3532 312e 3639 2c2d 3836 382e 3622   1521.69,-868.6\"\n-000259d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000259e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-000259f0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-00025a00: 7473 3d22 3135 3234 2e37 342c 2d38 3730  ts=\"1524.74,-870\n-00025a10: 2e33 3220 3135 3236 2e36 342c 2d38 3539  .32 1526.64,-859\n-00025a20: 2e39 2031 3531 382e 3635 2c2d 3836 362e  .9 1518.65,-866.\n-00025a30: 3836 2031 3532 342e 3734 2c2d 3837 302e  86 1524.74,-870.\n-00025a40: 3332 222f 3e0a 3c2f 673e 0a3c 212d 2d20  32\"/>.</g>.<!-- \n-00025a50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025a60: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00025a70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00025a80: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n-00025a90: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564  om -->.<g id=\"ed\n-00025aa0: 6765 3234 3922 2063 6c61 7373 3d22 6564  ge249\" class=\"ed\n-00025ab0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00025ac0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00025ad0: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-00025ae0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00025af0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n-00025b00: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00025b10: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00025b20: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n-00025b30: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00025b40: 3d22 4d31 3333 332e 3632 2c2d 3130 3935  =\"M1333.62,-1095\n-00025b50: 2e39 3443 3131 3732 2e35 322c 2d31 3039  .94C1172.52,-109\n-00025b60: 312e 3939 2037 3237 2e32 342c 2d31 3037  1.99 727.24,-107\n-00025b70: 382e 3520 3636 382e 3536 2c2d 3130 3438  8.5 668.56,-1048\n-00025b80: 2e37 3920 3438 372e 3531 2c2d 3935 372e  .79 487.51,-957.\n-00025b90: 3133 2034 3330 2e35 362c 2d38 3632 2e30  13 430.56,-862.0\n-00025ba0: 3620 3433 302e 3536 2c2d 3635 392e 3134  6 430.56,-659.14\n-00025bb0: 2034 3330 2e35 362c 2d36 3539 2e31 3420   430.56,-659.14 \n-00025bc0: 3433 302e 3536 2c2d 3635 392e 3134 2034  430.56,-659.14 4\n-00025bd0: 3330 2e35 362c 2d34 3035 2e36 3620 3433  30.56,-405.66 43\n-00025be0: 302e 3536 2c2d 3239 342e 3720 3437 372e  0.56,-294.7 477.\n-00025bf0: 3537 2c2d 3235 302e 3536 2035 3738 2e35  57,-250.56 578.5\n-00025c00: 362c 2d32 3034 2e36 3120 3634 302e 3332  6,-204.61 640.32\n-00025c10: 2c2d 3137 362e 3531 2037 3138 2e37 372c  ,-176.51 718.77,\n-00025c20: 2d31 3634 2e35 3120 3736 362e 3739 2c2d  -164.51 766.79,-\n-00025c30: 3135 392e 3533 222f 3e0a 3c70 6f6c 7967  159.53\"/>.<polyg\n-00025c40: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n-00025c50: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n-00025c60: 6f69 6e74 733d 2237 3637 2e32 342c 2d31  oints=\"767.24,-1\n-00025c70: 3633 2e30 3120 3737 362e 3835 2c2d 3135  63.01 776.85,-15\n-00025c80: 382e 3535 2037 3636 2e35 362c 2d31 3536  8.55 766.56,-156\n-00025c90: 2e30 3420 3736 372e 3234 2c2d 3136 332e  .04 767.24,-163.\n-00025ca0: 3031 222f 3e0a 3c2f 673e 0a3c 212d 2d20  01\"/>.</g>.<!-- \n-00025cb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025cc0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00025cd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00025ce0: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-00025cf0: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n-00025d00: 2069 643d 2265 6467 6532 3533 2220 636c   id=\"edge253\" cl\n-00025d10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00025d20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00025d30: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00025d40: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00025d50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n-00025d60: 6973 7465 645f 666f 7263 6573 3c2f 7469  isted_forces</ti\n-00025d70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00025d80: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00025d90: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00025da0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00025db0: 3d22 4d31 3433 302e 3239 2c2d 3130 3838  =\"M1430.29,-1088\n-00025dc0: 2e30 3343 3135 3234 2e34 362c 2d31 3036  .03C1524.46,-106\n-00025dd0: 352e 3636 2031 3736 352e 3036 2c2d 3130  5.66 1765.06,-10\n-00025de0: 3038 2e35 3220 3138 3636 2e34 322c 2d39  08.52 1866.42,-9\n-00025df0: 3834 2e34 3422 2f3e 0a3c 706f 6c79 676f  84.44\"/>.<polygo\n-00025e00: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00025e10: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00025e20: 2220 706f 696e 7473 3d22 3138 3637 2e34  \" points=\"1867.4\n-00025e30: 342c 2d39 3837 2e38 2031 3837 362e 3336  4,-987.8 1876.36\n-00025e40: 2c2d 3938 322e 3038 2031 3836 352e 3833  ,-982.08 1865.83\n-00025e50: 2c2d 3938 302e 3939 2031 3836 372e 3434  ,-980.99 1867.44\n-00025e60: 2c2d 3938 372e 3822 2f3e 0a3c 2f67 3e0a  ,-987.8\"/>.</g>.\n-00025e70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00025e80: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-00025e90: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n-00025ea0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025eb0: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n-00025ec0: 3e0a 3c67 2069 643d 2265 6467 6532 3436  >.<g id=\"edge246\n-00025ed0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00025ee0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00025ef0: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n-00025f00: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-00025f10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025f20: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n-00025f30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00025f40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00025f50: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00025f60: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00025f70: 2220 643d 224d 3134 3138 2e39 382c 2d31  \" d=\"M1418.98,-1\n-00025f80: 3038 362e 3334 4331 3435 382e 3634 2c2d  086.34C1458.64,-\n-00025f90: 3130 3730 2e38 3220 3135 3334 2e35 312c  1070.82 1534.51,\n-00025fa0: 2d31 3034 3220 3136 3030 2e35 362c 2d31  -1042 1600.56,-1\n-00025fb0: 3032 312e 3932 2031 3731 312c 2d39 3838  021.92 1711,-988\n-00025fc0: 2e33 3420 3137 3430 2e34 332c 2d39 3836  .34 1740.43,-986\n-00025fd0: 2e34 3820 3138 3532 2e35 362c 2d39 3539  .48 1852.56,-959\n-00025fe0: 2e30 3520 3139 3036 2e36 352c 2d39 3435  .05 1906.65,-945\n-00025ff0: 2e38 3220 3139 3638 2e39 382c 2d39 3330  .82 1968.98,-930\n-00026000: 2e39 3320 3230 3039 2e39 332c 2d39 3231  .93 2009.93,-921\n-00026010: 2e31 3922 2f3e 0a3c 706f 6c79 676f 6e20  .19\"/>.<polygon \n-00026020: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00026030: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00026040: 706f 696e 7473 3d22 3230 3130 2e39 342c  points=\"2010.94,\n-00026050: 2d39 3234 2e35 3520 3230 3139 2e38 372c  -924.55 2019.87,\n-00026060: 2d39 3138 2e38 3320 3230 3039 2e33 332c  -918.83 2009.33,\n-00026070: 2d39 3137 2e37 3420 3230 3130 2e39 342c  -917.74 2010.94,\n-00026080: 2d39 3234 2e35 3522 2f3e 0a3c 2f67 3e0a  -924.55\"/>.</g>.\n-00026090: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000260a0: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-000260b0: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n-000260c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000260d0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f  _applied_forces_\n-000260e0: 6177 6820 2d2d 3e0a 3c67 2069 643d 2265  awh -->.<g id=\"e\n-000260f0: 6467 6532 3339 2220 636c 6173 733d 2265  dge239\" class=\"e\n-00026100: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00026110: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00026120: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00026130: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00026140: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-00026150: 5f66 6f72 6365 735f 6177 683c 2f74 6974  _forces_awh</tit\n-00026160: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00026170: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-00026180: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-00026190: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-000261a0: 224d 3133 3332 2e38 312c 2d31 3039 372e  \"M1332.81,-1097.\n-000261b0: 3039 4331 3138 342e 3934 2c2d 3130 3936  09C1184.94,-1096\n-000261c0: 2e31 3420 3830 362e 3431 2c2d 3130 3839  .14 806.41,-1089\n-000261d0: 2e37 2037 3638 2e35 362c 2d31 3034 382e  .7 768.56,-1048.\n-000261e0: 3739 2036 3835 2e30 342c 2d39 3538 2e35  79 685.04,-958.5\n-000261f0: 3320 3739 362e 3931 2c2d 3739 372e 3432  3 796.91,-797.42\n-00026200: 2038 3430 2e35 312c 2d37 3431 2e36 3522   840.51,-741.65\"\n-00026210: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00026220: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00026230: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00026240: 7473 3d22 3834 332e 342c 2d37 3433 2e36  ts=\"843.4,-743.6\n-00026250: 3420 3834 362e 3838 2c2d 3733 332e 3633  4 846.88,-733.63\n-00026260: 2038 3337 2e39 322c 2d37 3339 2e32 3820   837.92,-739.28 \n-00026270: 3834 332e 342c 2d37 3433 2e36 3422 2f3e  843.4,-743.64\"/>\n-00026280: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00026290: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-000262a0: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n-000262b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74  &gt;module_src_t\n-000262c0: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720  estutils -->.<g \n-000262d0: 6964 3d22 6564 6765 3235 3522 2063 6c61  id=\"edge255\" cla\n-000262e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000262f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00026300: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00026310: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n-00026320: 655f 7372 635f 7465 7374 7574 696c 733c  e_src_testutils<\n-00026330: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00026340: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00026350: 3d22 7265 6422 2064 3d22 4d31 3434 392e  =\"red\" d=\"M1449.\n-00026360: 3638 2c2d 3130 3936 4331 3637 342e 3832  68,-1096C1674.82\n-00026370: 2c2d 3130 3931 2e32 3520 3234 3839 2e32  ,-1091.25 2489.2\n-00026380: 2c2d 3130 3733 2e31 3220 3237 3437 2e35  ,-1073.12 2747.5\n-00026390: 362c 2d31 3034 382e 3739 2032 3736 322e  6,-1048.79 2762.\n-000263a0: 3837 2c2d 3130 3437 2e33 3520 3237 3739  87,-1047.35 2779\n-000263b0: 2e36 382c 2d31 3034 342e 3931 2032 3739  .68,-1044.91 279\n-000263c0: 342e 3639 2c2d 3130 3432 2e35 3722 2f3e  4.69,-1042.57\"/>\n-000263d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000263e0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-000263f0: 2220 706f 696e 7473 3d22 3237 3935 2e34  \" points=\"2795.4\n-00026400: 312c 2d31 3034 3620 3238 3034 2e37 342c  1,-1046 2804.74,\n-00026410: 2d31 3034 302e 3938 2032 3739 342e 3332  -1040.98 2794.32\n-00026420: 2c2d 3130 3339 2e30 3920 3237 3935 2e34  ,-1039.09 2795.4\n-00026430: 312c 2d31 3034 3622 2f3e 0a3c 2f67 3e0a  1,-1046\"/>.</g>.\n-00026440: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00026450: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n-00026460: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n-00026470: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00026480: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n-00026490: 6964 3d22 6564 6765 3236 3022 2063 6c61  id=\"edge260\" cla\n-000264a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000264b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000264c0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-000264d0: 7926 2334 353b 2667 743b 6d6f 6475 6c65  y&#45;&gt;module\n-000264e0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n-000264f0: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70  dware</title>.<p\n-00026500: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00026510: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00026520: 2064 3d22 4d32 3035 392e 352c 2d39 3233   d=\"M2059.5,-923\n-00026530: 2e30 3643 3230 3735 2e33 312c 2d39 3632  .06C2075.31,-962\n-00026540: 2e39 3120 3231 3234 2e38 312c 2d31 3038  .91 2124.81,-108\n-00026550: 372e 3636 2032 3134 342e 3933 2c2d 3131  7.66 2144.93,-11\n-00026560: 3338 2e33 3522 2f3e 0a3c 706f 6c79 676f  38.35\"/>.<polygo\n-00026570: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-00026580: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00026590: 2220 706f 696e 7473 3d22 3231 3431 2e37  \" points=\"2141.7\n-000265a0: 312c 2d31 3133 392e 3732 2032 3134 382e  1,-1139.72 2148.\n-000265b0: 3635 2c2d 3131 3437 2e37 3220 3231 3438  65,-1147.72 2148\n-000265c0: 2e32 322c 2d31 3133 372e 3134 2032 3134  .22,-1137.14 214\n-000265d0: 312e 3731 2c2d 3131 3339 2e37 3222 2f3e  1.71,-1139.72\"/>\n-000265e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000265f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00026600: 7275 6e75 7469 6c69 7479 2623 3435 3b26  runutility&#45;&\n-00026610: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00026620: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n-00026630: 3e0a 3c67 2069 643d 2265 6467 6532 3538  >.<g id=\"edge258\n-00026640: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00026650: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00026660: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00026670: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n-00026680: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00026690: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n-000266a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000266b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-000266c0: 6662 6622 2064 3d22 4d32 3031 362e 362c  fbf\" d=\"M2016.6,\n-000266d0: 2d39 3031 2e34 4331 3938 302e 3035 2c2d  -901.4C1980.05,-\n-000266e0: 3839 332e 3732 2031 3932 332e 3639 2c2d  893.72 1923.69,-\n-000266f0: 3837 392e 3934 2031 3837 372e 3536 2c2d  879.94 1877.56,-\n-00026700: 3836 302e 3138 2031 3834 302e 3433 2c2d  860.18 1840.43,-\n-00026710: 3834 342e 3238 2031 3830 312e 3037 2c2d  844.28 1801.07,-\n-00026720: 3831 382e 3938 2031 3737 362e 3636 2c2d  818.98 1776.66,-\n-00026730: 3830 322e 3135 222f 3e0a 3c70 6f6c 7967  802.15\"/>.<polyg\n-00026740: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00026750: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00026760: 6622 2070 6f69 6e74 733d 2231 3737 382e  f\" points=\"1778.\n-00026770: 3537 2c2d 3739 392e 3232 2031 3736 382e  57,-799.22 1768.\n-00026780: 3337 2c2d 3739 362e 3337 2031 3737 342e  37,-796.37 1774.\n-00026790: 3537 2c2d 3830 342e 3936 2031 3737 382e  57,-804.96 1778.\n-000267a0: 3537 2c2d 3739 392e 3232 222f 3e0a 3c2f  57,-799.22\"/>.</\n-000267b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000267c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-000267d0: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n-000267e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000267f0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d  cs_commandline -\n-00026800: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235  ->.<g id=\"edge25\n-00026810: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n-00026820: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00026830: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00026840: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n-00026850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00026860: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n-00026870: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00026880: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00026890: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n-000268a0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000268b0: 3d22 4d32 3130 312c 2d39 3036 2e36 3943  =\"M2101,-906.69C\n-000268c0: 3231 3930 2e34 312c 2d39 3032 2e33 3420  2190.41,-902.34 \n-000268d0: 3233 3832 2e38 332c 2d38 3839 2e37 3720  2382.83,-889.77 \n-000268e0: 3234 3431 2e35 362c 2d38 3630 2e31 3820  2441.56,-860.18 \n-000268f0: 3236 3330 2e34 312c 2d37 3635 2e30 3520  2630.41,-765.05 \n-00026900: 3237 3134 2e35 362c 2d36 3831 2e39 3820  2714.56,-681.98 \n-00026910: 3237 3134 2e35 362c 2d34 3730 2e35 3320  2714.56,-470.53 \n-00026920: 3237 3134 2e35 362c 2d34 3730 2e35 3320  2714.56,-470.53 \n-00026930: 3237 3134 2e35 362c 2d34 3730 2e35 3320  2714.56,-470.53 \n-00026940: 3237 3134 2e35 362c 2d32 3137 2e30 3520  2714.56,-217.05 \n-00026950: 3237 3134 2e35 362c 2d31 3634 2e32 3120  2714.56,-164.21 \n-00026960: 3236 3732 2e30 352c 2d31 3630 2e32 3520  2672.05,-160.25 \n-00026970: 3236 3232 2e35 362c 2d31 3431 2e37 3420  2622.56,-141.74 \n-00026980: 3234 3936 2e31 362c 2d39 342e 3438 2031  2496.16,-94.48 1\n-00026990: 3534 332e 3135 2c2d 3131 352e 3631 2031  543.15,-115.61 1\n-000269a0: 3430 382e 3536 2c2d 3130 352e 3734 2031  408.56,-105.74 1\n-000269b0: 3339 312e 382c 2d31 3034 2e35 3120 3133  391.8,-104.51 13\n-000269c0: 3733 2e36 322c 2d31 3032 2e35 3920 3133  73.62,-102.59 13\n-000269d0: 3537 2e31 322c 2d31 3030 2e36 3322 2f3e  57.12,-100.63\"/>\n-000269e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000269f0: 626c 6163 6b22 2073 7472 6f6b 653d 2262  black\" stroke=\"b\n-00026a00: 6c61 636b 2220 706f 696e 7473 3d22 3133  lack\" points=\"13\n-00026a10: 3537 2e34 342c 2d39 372e 3134 2031 3334  57.44,-97.14 134\n-00026a20: 372e 3039 2c2d 3939 2e34 2031 3335 362e  7.09,-99.4 1356.\n-00026a30: 3539 2c2d 3130 342e 3039 2031 3335 372e  59,-104.09 1357.\n-00026a40: 3434 2c2d 3937 2e31 3422 2f3e 0a3c 2f67  44,-97.14\"/>.</g\n-00026a50: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00026a60: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00026a70: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n-00026a80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00026a90: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-00026aa0: 6964 3d22 6564 6765 3235 3722 2063 6c61  id=\"edge257\" cla\n-00026ab0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00026ac0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00026ad0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-00026ae0: 7926 2334 353b 2667 743b 6d6f 6475 6c65  y&#45;&gt;module\n-00026af0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-00026b00: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174  eio</title>.<pat\n-00026b10: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00026b20: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00026b30: 3d22 4d32 3031 312e 3134 2c2d 3930 342e  =\"M2011.14,-904.\n-00026b40: 3137 4331 3937 342e 3239 2c2d 3839 382e  17C1974.29,-898.\n-00026b50: 3533 2031 3932 312e 3738 2c2d 3838 362e  53 1921.78,-886.\n-00026b60: 3139 2031 3838 332e 3536 2c2d 3836 302e  19 1883.56,-860.\n-00026b70: 3138 2031 3831 322e 3232 2c2d 3831 312e  18 1812.22,-811.\n-00026b80: 3634 2031 3833 372e 3532 2c2d 3735 3220  64 1837.52,-752 \n-00026b90: 3137 3633 2e35 362c 2d37 3037 2e35 3720  1763.56,-707.57 \n-00026ba0: 3137 3235 2e37 342c 2d36 3834 2e38 3520  1725.74,-684.85 \n-00026bb0: 3136 3031 2e32 332c 2d36 3639 2e36 3520  1601.23,-669.65 \n-00026bc0: 3135 3338 2e37 342c 2d36 3632 2e39 3822  1538.74,-662.98\"\n-00026bd0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00026be0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-00026bf0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-00026c00: 7473 3d22 3135 3338 2e38 362c 2d36 3539  ts=\"1538.86,-659\n-00026c10: 2e34 3720 3135 3238 2e35 352c 2d36 3631  .47 1528.55,-661\n-00026c20: 2e39 3120 3135 3338 2e31 332c 2d36 3636  .91 1538.13,-666\n-00026c30: 2e34 3420 3135 3338 2e38 362c 2d36 3539  .44 1538.86,-659\n-00026c40: 2e34 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .47\"/>.</g>.<!--\n-00026c50: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00026c60: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n-00026c70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00026c80: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00026c90: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467  n -->.<g id=\"edg\n-00026ca0: 6532 3539 2220 636c 6173 733d 2265 6467  e259\" class=\"edg\n-00026cb0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00026cc0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00026cd0: 7275 6e75 7469 6c69 7479 2623 3435 3b26  runutility&#45;&\n-00026ce0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00026cf0: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974  omacs_mdrun</tit\n-00026d00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00026d10: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00026d20: 6422 2064 3d22 4d32 3034 342e 3635 2c2d  d\" d=\"M2044.65,-\n-00026d30: 3839 362e 3233 4332 3033 372e 3632 2c2d  896.23C2037.62,-\n-00026d40: 3838 312e 3220 3230 3239 2e37 312c 2d38  881.2 2029.71,-8\n-00026d50: 3535 2e31 3720 3230 3231 2e35 362c 2d38  55.17 2021.56,-8\n-00026d60: 3333 2e33 3120 3230 3130 2e39 332c 2d38  33.31 2010.93,-8\n-00026d70: 3034 2e38 3220 3230 3037 2e32 392c 2d37  04.82 2007.29,-7\n-00026d80: 3938 2e30 3620 3139 3934 2e35 362c 2d37  98.06 1994.56,-7\n-00026d90: 3730 2e34 3420 3139 3831 2e35 322c 2d37  70.44 1981.52,-7\n-00026da0: 3432 2e31 3520 3139 3830 2e37 332c 2d37  42.15 1980.73,-7\n-00026db0: 3333 2e35 3620 3139 3633 2e35 362c 2d37  33.56 1963.56,-7\n-00026dc0: 3037 2e35 3720 3139 3433 2e32 352c 2d36  07.57 1943.25,-6\n-00026dd0: 3736 2e38 3420 3139 3335 2e32 352c 2d36  76.84 1935.25,-6\n-00026de0: 3731 2e31 2031 3930 392e 3536 2c2d 3634  71.1 1909.56,-64\n-00026df0: 342e 3720 3138 3633 2e39 342c 2d35 3937  4.7 1863.94,-597\n-00026e00: 2e38 3320 3138 3333 2e34 382c 2d36 3032  .83 1833.48,-602\n-00026e10: 2e33 3520 3138 3030 2e35 362c 2d35 3435  .35 1800.56,-545\n-00026e20: 2e38 3320 3137 3739 2e31 352c 2d35 3039  .83 1779.15,-509\n-00026e30: 2e30 3720 3137 3732 2e35 322c 2d34 3538  .07 1772.52,-458\n-00026e40: 2e38 3820 3137 3733 2e32 352c 2d34 3330  .88 1773.25,-430\n-00026e50: 2e32 3122 2f3e 0a3c 706f 6c79 676f 6e20  .21\"/>.<polygon \n-00026e60: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-00026e70: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-00026e80: 3137 3736 2e37 362c 2d34 3330 2e32 3120  1776.76,-430.21 \n-00026e90: 3137 3733 2e39 312c 2d34 3230 2e30 3120  1773.91,-420.01 \n-00026ea0: 3137 3639 2e37 372c 2d34 3239 2e37 3620  1769.77,-429.76 \n-00026eb0: 3137 3736 2e37 362c 2d34 3330 2e32 3122  1776.76,-430.21\"\n-00026ec0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00026ed0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00026ee0: 6d64 7275 6e75 7469 6c69 7479 2623 3435  mdrunutility&#45\n-00026ef0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00026f00: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n-00026f10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236  ->.<g id=\"edge26\n-00026f20: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00026f30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00026f40: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00026f50: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n-00026f60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00026f70: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-00026f80: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00026f90: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00026fa0: 6662 6622 2064 3d22 4d32 3031 312e 3932  fbf\" d=\"M2011.92\n-00026fb0: 2c2d 3930 332e 3633 4331 3931 332e 3331  ,-903.63C1913.31\n-00026fc0: 2c2d 3839 322e 3131 2031 3637 302e 3533  ,-892.11 1670.53\n-00026fd0: 2c2d 3836 332e 3735 2031 3537 342e 3034  ,-863.75 1574.04\n-00026fe0: 2c2d 3835 322e 3438 222f 3e0a 3c70 6f6c  ,-852.48\"/>.<pol\n-00026ff0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-00027000: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-00027010: 6662 6622 2070 6f69 6e74 733d 2231 3537  fbf\" points=\"157\n-00027020: 342e 3136 2c2d 3834 382e 3937 2031 3536  4.16,-848.97 156\n-00027030: 332e 3833 2c2d 3835 312e 3238 2031 3537  3.83,-851.28 157\n-00027040: 332e 3335 2c2d 3835 352e 3932 2031 3537  3.35,-855.92 157\n-00027050: 342e 3136 2c2d 3834 382e 3937 222f 3e0a  4.16,-848.97\"/>.\n-00027060: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00027070: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n-00027080: 6563 7469 6f6e 202d 2d3e 0a3c 6720 6964  ection -->.<g id\n-00027090: 3d22 6e6f 6465 3438 2220 636c 6173 733d  =\"node48\" class=\n-000270a0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-000270b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000270c0: 735f 7365 6c65 6374 696f 6e3c 2f74 6974  s_selection</tit\n-000270d0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-000270e0: 6534 3822 3e3c 6120 786c 696e 6b3a 6872  e48\"><a xlink:hr\n-000270f0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n-00027100: 655f 5f73 656c 6563 7469 6f6e 2e78 6874  e__selection.xht\n-00027110: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n-00027120: 2220 786c 696e 6b3a 7469 746c 653d 2273  \" xlink:title=\"s\n-00027130: 656c 6563 7469 6f6e 223e 0a3c 656c 6c69  election\">.<elli\n-00027140: 7073 6520 6669 6c6c 3d22 2366 6663 6363  pse fill=\"#ffccc\n-00027150: 6322 2073 7472 6f6b 653d 2262 6c61 636b  c\" stroke=\"black\n-00027160: 2220 6378 3d22 3134 3537 2e35 3622 2063  \" cx=\"1457.56\" c\n-00027170: 793d 222d 3932 2e33 3122 2072 783d 2233  y=\"-92.31\" rx=\"3\n-00027180: 392e 3722 2072 793d 2231 332e 3337 222f  9.7\" ry=\"13.37\"/\n-00027190: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-000271a0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-000271b0: 3134 3537 2e35 3622 2079 3d22 2d38 392e  1457.56\" y=\"-89.\n-000271c0: 3831 2220 666f 6e74 2d66 616d 696c 793d  81\" font-family=\n-000271d0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-000271e0: 7369 7a65 3d22 3130 2e30 3022 3e73 656c  size=\"10.00\">sel\n-000271f0: 6563 7469 6f6e 3c2f 7465 7874 3e0a 3c2f  ection</text>.</\n-00027200: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n-00027210: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00027220: 6d61 6373 5f73 656c 6563 7469 6f6e 2623  macs_selection&#\n-00027230: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00027240: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e  c_gromacs_option\n-00027250: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-00027260: 6532 3632 2220 636c 6173 733d 2265 6467  e262\" class=\"edg\n-00027270: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00027280: 655f 7372 635f 6772 6f6d 6163 735f 7365  e_src_gromacs_se\n-00027290: 6c65 6374 696f 6e26 2334 353b 2667 743b  lection&#45;&gt;\n-000272a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000272b0: 6373 5f6f 7074 696f 6e73 3c2f 7469 746c  cs_options</titl\n-000272c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-000272d0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-000272e0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-000272f0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00027300: 4d31 3433 332c 2d38 312e 3636 4331 3430  M1433,-81.66C140\n-00027310: 362e 3436 2c2d 3731 2e32 3420 3133 3634  6.46,-71.24 1364\n-00027320: 2e30 372c 2d35 342e 3539 2031 3333 342e  .07,-54.59 1334.\n-00027330: 3835 2c2d 3433 2e31 3222 2f3e 0a3c 706f  85,-43.12\"/>.<po\n-00027340: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00027350: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00027360: 3266 6363 2220 706f 696e 7473 3d22 3133  2fcc\" points=\"13\n-00027370: 3336 2e30 382c 2d33 392e 3834 2031 3332  36.08,-39.84 132\n-00027380: 352e 3439 2c2d 3339 2e34 3420 3133 3333  5.49,-39.44 1333\n-00027390: 2e35 322c 2d34 362e 3335 2031 3333 362e  .52,-46.35 1336.\n-000273a0: 3038 2c2d 3339 2e38 3422 2f3e 0a3c 2f67  08,-39.84\"/>.</g\n-000273b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000273c0: 635f 6772 6f6d 6163 735f 7365 6c65 6374  c_gromacs_select\n-000273d0: 696f 6e26 2334 353b 2667 743b 6d6f 6475  ion&#45;&gt;modu\n-000273e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-000273f0: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n-00027400: 2265 6467 6532 3634 2220 636c 6173 733d  \"edge264\" class=\n-00027410: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00027420: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00027430: 735f 7365 6c65 6374 696f 6e26 2334 353b  s_selection&#45;\n-00027440: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00027450: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74  romacs_random</t\n-00027460: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00027470: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00027480: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n-00027490: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-000274a0: 643d 224d 3134 3231 2e39 2c2d 3938 2e34  d=\"M1421.9,-98.4\n-000274b0: 4331 3430 342e 3335 2c2d 3130 302e 3831  C1404.35,-100.81\n-000274c0: 2031 3338 322e 3837 2c2d 3130 332e 3632   1382.87,-103.62\n-000274d0: 2031 3336 332e 3536 2c2d 3130 352e 3734   1363.56,-105.74\n-000274e0: 2031 3137 342e 3436 2c2d 3132 362e 3532   1174.46,-126.52\n-000274f0: 2039 3438 2e32 2c2d 3134 342e 3035 2038   948.2,-144.05 8\n-00027500: 3534 2e35 312c 2d31 3530 2e39 3922 2f3e  54.51,-150.99\"/>\n-00027510: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00027520: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n-00027530: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n-00027540: 3d22 3835 332e 3939 2c2d 3134 372e 3532  =\"853.99,-147.52\n-00027550: 2038 3434 2e32 382c 2d31 3531 2e37 3420   844.28,-151.74 \n-00027560: 3835 342e 3531 2c2d 3135 342e 3520 3835  854.51,-154.5 85\n-00027570: 332e 3939 2c2d 3134 372e 3532 222f 3e0a  3.99,-147.52\"/>.\n-00027580: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00027590: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n-000275a0: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d  ection&#45;&gt;m\n-000275b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000275c0: 735f 6f6e 6c69 6e65 6865 6c70 202d 2d3e  s_onlinehelp -->\n-000275d0: 0a3c 6720 6964 3d22 6564 6765 3236 3322  .<g id=\"edge263\"\n-000275e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000275f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00027600: 5f67 726f 6d61 6373 5f73 656c 6563 7469  _gromacs_selecti\n-00027610: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c  on&#45;&gt;modul\n-00027620: 655f 7372 635f 6772 6f6d 6163 735f 6f6e  e_src_gromacs_on\n-00027630: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e  linehelp</title>\n-00027640: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00027650: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00027660: 6363 2220 643d 224d 3134 3537 2e35 362c  cc\" d=\"M1457.56,\n-00027670: 2d37 382e 3639 4331 3435 372e 3536 2c2d  -78.69C1457.56,-\n-00027680: 3731 2e33 3520 3134 3537 2e35 362c 2d36  71.35 1457.56,-6\n-00027690: 312e 3836 2031 3435 372e 3536 2c2d 3533  1.86 1457.56,-53\n-000276a0: 2e32 3522 2f3e 0a3c 706f 6c79 676f 6e20  .25\"/>.<polygon \n-000276b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-000276c0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-000276d0: 706f 696e 7473 3d22 3134 3631 2e30 362c  points=\"1461.06,\n-000276e0: 2d35 332e 3033 2031 3435 372e 3536 2c2d  -53.03 1457.56,-\n-000276f0: 3433 2e30 3320 3134 3534 2e30 362c 2d35  43.03 1454.06,-5\n-00027700: 332e 3033 2031 3436 312e 3036 2c2d 3533  3.03 1461.06,-53\n-00027710: 2e30 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .03\"/>.</g>.<!--\n-00027720: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00027730: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00027740: 6573 5f61 7768 2623 3435 3b26 6774 3b6d  es_awh&#45;&gt;m\n-00027750: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00027760: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-00027770: 2069 643d 2265 6467 6532 3732 2220 636c   id=\"edge272\" cl\n-00027780: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00027790: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000277a0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-000277b0: 7263 6573 5f61 7768 2623 3435 3b26 6774  rces_awh&#45;&gt\n-000277c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000277d0: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n-000277e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000277f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-00027800: 6662 6662 6622 2064 3d22 4d38 3832 2e32  fbfbf\" d=\"M882.2\n-00027810: 372c 2d37 3235 2e33 3643 3930 302e 3533  7,-725.36C900.53\n-00027820: 2c2d 3732 382e 3220 3932 352e 3036 2c2d  ,-728.2 925.06,-\n-00027830: 3733 322e 3136 2039 3436 2e35 362c 2d37  732.16 946.56,-7\n-00027840: 3334 2e34 3420 3132 3333 2e34 332c 2d37  34.44 1233.43,-7\n-00027850: 3634 2e39 3220 3135 3739 2e33 2c2d 3737  64.92 1579.3,-77\n-00027860: 372e 3535 2031 3730 342e 3531 2c2d 3738  7.55 1704.51,-78\n-00027870: 312e 3435 222f 3e0a 3c70 6f6c 7967 6f6e  1.45\"/>.<polygon\n-00027880: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00027890: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-000278a0: 2070 6f69 6e74 733d 2231 3730 342e 3434   points=\"1704.44\n-000278b0: 2c2d 3738 342e 3935 2031 3731 342e 3534  ,-784.95 1714.54\n-000278c0: 2c2d 3738 312e 3735 2031 3730 342e 3635  ,-781.75 1704.65\n-000278d0: 2c2d 3737 372e 3935 2031 3730 342e 3434  ,-777.95 1704.44\n-000278e0: 2c2d 3738 342e 3935 222f 3e0a 3c2f 673e  ,-784.95\"/>.</g>\n-000278f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00027900: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-00027910: 5f66 6f72 6365 735f 6177 6826 2334 353b  _forces_awh&#45;\n-00027920: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00027930: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-00027940: 3e0a 3c67 2069 643d 2265 6467 6532 3730  >.<g id=\"edge270\n-00027950: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00027960: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00027970: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n-00027980: 645f 666f 7263 6573 5f61 7768 2623 3435  d_forces_awh&#45\n-00027990: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000279a0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-000279b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000279c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000279d0: 2223 6266 6266 6266 2220 643d 224d 3838  \"#bfbfbf\" d=\"M88\n-000279e0: 322e 3536 2c2d 3731 372e 3237 4339 3833  2.56,-717.27C983\n-000279f0: 2e34 372c 2d37 3037 2e33 2031 3334 382e  .47,-707.3 1348.\n-00027a00: 3334 2c2d 3637 322e 3931 2031 3436 352e  34,-672.91 1465.\n-00027a10: 3839 2c2d 3636 322e 3239 222f 3e0a 3c70  89,-662.29\"/>.<p\n-00027a20: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00027a30: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-00027a40: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-00027a50: 3436 362e 3531 2c2d 3636 352e 3735 2031  466.51,-665.75 1\n-00027a60: 3437 362e 3136 2c2d 3636 312e 3336 2031  476.16,-661.36 1\n-00027a70: 3436 352e 3839 2c2d 3635 382e 3737 2031  465.89,-658.77 1\n-00027a80: 3436 362e 3531 2c2d 3636 352e 3735 222f  466.51,-665.75\"/\n-00027a90: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00027aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-00027ab0: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n-00027ac0: 6826 2334 353b 2667 743b 6d6f 6475 6c65  h&#45;&gt;module\n-00027ad0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n-00027ae0: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265  pan -->.<g id=\"e\n-00027af0: 6467 6532 3736 2220 636c 6173 733d 2265  dge276\" class=\"e\n-00027b00: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00027b10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00027b20: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n-00027b30: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n-00027b40: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00027b50: 7370 616e 3c2f 7469 746c 653e 0a3c 7061  span</title>.<pa\n-00027b60: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00027b70: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00027b80: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00027b90: 3d22 352c 3222 2064 3d22 4d38 3331 2e32  =\"5,2\" d=\"M831.2\n-00027ba0: 352c 2d37 3136 2e30 3343 3735 342e 3636  5,-716.03C754.66\n-00027bb0: 2c2d 3730 332e 3238 2035 3330 2e35 362c  ,-703.28 530.56,\n-00027bc0: 2d36 3630 2e35 3120 3533 302e 3536 2c2d  -660.51 530.56,-\n-00027bd0: 3539 362e 3237 2035 3330 2e35 362c 2d35  596.27 530.56,-5\n-00027be0: 3936 2e32 3720 3533 302e 3536 2c2d 3539  96.27 530.56,-59\n-00027bf0: 362e 3237 2035 3330 2e35 362c 2d34 3035  6.27 530.56,-405\n-00027c00: 2e36 3620 3533 302e 3536 2c2d 3237 362e  .66 530.56,-276.\n-00027c10: 3435 2034 3236 2e38 312c 2d32 3738 2e31  45 426.81,-278.1\n-00027c20: 3420 3332 302e 3536 2c2d 3230 342e 3631  4 320.56,-204.61\n-00027c30: 2032 3934 2e33 362c 2d31 3836 2e34 3820   294.36,-186.48 \n-00027c40: 3237 342e 3436 2c2d 3139 362e 3232 2032  274.46,-196.22 2\n-00027c50: 3538 2e35 362c 2d31 3638 2e36 3120 3235  58.56,-168.61 25\n-00027c60: 322e 362c 2d31 3538 2e32 3620 3235 332e  2.6,-158.26 253.\n-00027c70: 3035 2c2d 3135 322e 3334 2032 3538 2e35  05,-152.34 258.5\n-00027c80: 362c 2d31 3431 2e37 3420 3236 362e 3337  6,-141.74 266.37\n-00027c90: 2c2d 3132 362e 3732 2032 3831 2e32 312c  ,-126.72 281.21,\n-00027ca0: 2d31 3135 2e33 3820 3239 352e 3133 2c2d  -115.38 295.13,-\n-00027cb0: 3130 372e 3437 222f 3e0a 3c70 6f6c 7967  107.47\"/>.<polyg\n-00027cc0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00027cd0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00027ce0: 6322 2070 6f69 6e74 733d 2232 3936 2e38  c\" points=\"296.8\n-00027cf0: 352c 2d31 3130 2e35 3220 3330 342e 3036  5,-110.52 304.06\n-00027d00: 2c2d 3130 322e 3736 2032 3933 2e35 382c  ,-102.76 293.58,\n-00027d10: 2d31 3034 2e33 3320 3239 362e 3835 2c2d  -104.33 296.85,-\n-00027d20: 3131 302e 3532 222f 3e0a 3c2f 673e 0a3c  110.52\"/>.</g>.<\n-00027d30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00027d40: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-00027d50: 6f72 6365 735f 6177 6826 2334 353b 2667  orces_awh&#45;&g\n-00027d60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00027d70: 6d61 6373 5f74 7261 6a65 6374 6f72 7920  macs_trajectory \n-00027d80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00027d90: 3734 2220 636c 6173 733d 2265 6467 6522  74\" class=\"edge\"\n-00027da0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00027db0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-00027dc0: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n-00027dd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00027de0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-00027df0: 746f 7279 3c2f 7469 746c 653e 0a3c 7061  tory</title>.<pa\n-00027e00: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00027e10: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00027e20: 643d 224d 3834 342e 3337 2c2d 3730 382e  d=\"M844.37,-708.\n-00027e30: 3731 4338 3335 2e30 362c 2d36 3939 2e35  71C835.06,-699.5\n-00027e40: 2038 3232 2e35 312c 2d36 3835 2e37 3420   822.51,-685.74 \n-00027e50: 3831 342e 3536 2c2d 3637 312e 3537 2037  814.56,-671.57 7\n-00027e60: 3937 2e33 372c 2d36 3430 2e39 3420 3739  97.37,-640.94 79\n-00027e70: 302e 3536 2c2d 3633 312e 3339 2037 3930  0.56,-631.39 790\n-00027e80: 2e35 362c 2d35 3936 2e32 3720 3739 302e  .56,-596.27 790.\n-00027e90: 3536 2c2d 3539 362e 3237 2037 3930 2e35  56,-596.27 790.5\n-00027ea0: 362c 2d35 3936 2e32 3720 3739 302e 3536  6,-596.27 790.56\n-00027eb0: 2c2d 3430 352e 3636 2037 3930 2e35 362c  ,-405.66 790.56,\n-00027ec0: 2d32 3539 2e35 3820 3538 342e 3033 2c2d  -259.58 584.03,-\n-00027ed0: 3138 392e 3636 2034 3932 2e39 312c 2d31  189.66 492.91,-1\n-00027ee0: 3635 2e39 3222 2f3e 0a3c 706f 6c79 676f  65.92\"/>.<polygo\n-00027ef0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-00027f00: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00027f10: 2220 706f 696e 7473 3d22 3439 332e 3731  \" points=\"493.71\n-00027f20: 2c2d 3136 322e 3531 2034 3833 2e31 362c  ,-162.51 483.16,\n-00027f30: 2d31 3633 2e34 3420 3439 312e 3939 2c2d  -163.44 491.99,-\n-00027f40: 3136 392e 3320 3439 332e 3731 2c2d 3136  169.3 493.71,-16\n-00027f50: 322e 3531 222f 3e0a 3c2f 673e 0a3c 212d  2.51\"/>.</g>.<!-\n-00027f60: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00027f70: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00027f80: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n-00027f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00027fa0: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n-00027fb0: 2069 643d 2265 6467 6532 3731 2220 636c   id=\"edge271\" cl\n-00027fc0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00027fd0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00027fe0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-00027ff0: 7263 6573 5f61 7768 2623 3435 3b26 6774  rces_awh&#45;&gt\n-00028000: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00028010: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n-00028020: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00028030: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00028040: 6266 6266 2220 643d 224d 3836 342e 3135  bfbf\" d=\"M864.15\n-00028050: 2c2d 3733 332e 3939 4338 3735 2e39 362c  ,-733.99C875.96,\n-00028060: 2d37 3531 2e34 3420 3930 302e 352c 2d37  -751.44 900.5,-7\n-00028070: 3833 2e32 3720 3933 302e 3536 2c2d 3739  83.27 930.56,-79\n-00028080: 372e 3331 2031 3033 302e 3331 2c2d 3834  7.31 1030.31,-84\n-00028090: 332e 3932 2031 3337 312e 3136 2c2d 3834  3.92 1371.16,-84\n-000280a0: 362e 3637 2031 3439 312e 3236 2c2d 3834  6.67 1491.26,-84\n-000280b0: 362e 3134 222f 3e0a 3c70 6f6c 7967 6f6e  6.14\"/>.<polygon\n-000280c0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-000280d0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-000280e0: 2070 6f69 6e74 733d 2231 3439 312e 3534   points=\"1491.54\n-000280f0: 2c2d 3834 392e 3634 2031 3530 312e 3532  ,-849.64 1501.52\n-00028100: 2c2d 3834 362e 3038 2031 3439 312e 352c  ,-846.08 1491.5,\n-00028110: 2d38 3432 2e36 3420 3134 3931 2e35 342c  -842.64 1491.54,\n-00028120: 2d38 3439 2e36 3422 2f3e 0a3c 2f67 3e0a  -849.64\"/>.</g>.\n-00028130: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00028140: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-00028150: 666f 7263 6573 5f61 7768 2623 3435 3b26  forces_awh&#45;&\n-00028160: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00028170: 6f6d 6163 735f 7261 6e64 6f6d 202d 2d3e  omacs_random -->\n-00028180: 0a3c 6720 6964 3d22 6564 6765 3237 3522  .<g id=\"edge275\"\n-00028190: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000281a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000281b0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-000281c0: 5f66 6f72 6365 735f 6177 6826 2334 353b  _forces_awh&#45;\n-000281d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000281e0: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74  romacs_random</t\n-000281f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00028200: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00028210: 626c 6163 6b22 2073 7472 6f6b 652d 6461  black\" stroke-da\n-00028220: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-00028230: 224d 3834 382e 3736 2c2d 3730 372e 3932  \"M848.76,-707.92\n-00028240: 4338 3335 2e36 332c 2d36 3836 2e33 3820  C835.63,-686.38 \n-00028250: 3831 302e 3536 2c2d 3633 392e 3538 2038  810.56,-639.58 8\n-00028260: 3130 2e35 362c 2d35 3936 2e32 3720 3831  10.56,-596.27 81\n-00028270: 302e 3536 2c2d 3539 362e 3237 2038 3130  0.56,-596.27 810\n-00028280: 2e35 362c 2d35 3936 2e32 3720 3831 302e  .56,-596.27 810.\n-00028290: 3536 2c2d 3430 352e 3636 2038 3130 2e35  56,-405.66 810.5\n-000282a0: 362c 2d33 3536 2e31 3420 3830 362e 3637  6,-356.14 806.67\n-000282b0: 2c2d 3334 332e 3836 2038 3035 2e35 362c  ,-343.86 805.56,\n-000282c0: 2d32 3934 2e33 3520 3830 342e 3636 2c2d  -294.35 804.66,-\n-000282d0: 3235 342e 3438 2038 3033 2e35 312c 2d32  254.48 803.51,-2\n-000282e0: 3434 2e34 3420 3830 352e 3536 2c2d 3230  44.44 805.56,-20\n-000282f0: 342e 3631 2038 3035 2e39 392c 2d31 3936  4.61 805.99,-196\n-00028300: 2e32 3520 3830 362e 3834 2c2d 3138 372e  .25 806.84,-187.\n-00028310: 3132 2038 3037 2e37 312c 2d31 3739 2e30  12 807.71,-179.0\n-00028320: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-00028330: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b  ll=\"black\" strok\n-00028340: 653d 2262 6c61 636b 2220 706f 696e 7473  e=\"black\" points\n-00028350: 3d22 3831 312e 3231 2c2d 3137 392e 3233  =\"811.21,-179.23\n-00028360: 2038 3038 2e38 392c 2d31 3638 2e38 3920   808.89,-168.89 \n-00028370: 3830 342e 3236 2c2d 3137 382e 3433 2038  804.26,-178.43 8\n-00028380: 3131 2e32 312c 2d31 3739 2e32 3322 2f3e  11.21,-179.23\"/>\n-00028390: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000283a0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-000283b0: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n-000283c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000283d0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-000283e0: 6e75 7469 6c69 7479 202d 2d3e 0a3c 6720  nutility -->.<g \n-000283f0: 6964 3d22 6564 6765 3237 3322 2063 6c61  id=\"edge273\" cla\n-00028400: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00028410: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00028420: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00028430: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n-00028440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00028450: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n-00028460: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00028470: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00028480: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00028490: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-000284a0: 2220 643d 224d 3835 382e 3531 2c2d 3733  \" d=\"M858.51,-73\n-000284b0: 342e 3537 4338 3631 2e39 312c 2d37 3531  4.57C861.91,-751\n-000284c0: 2e38 3220 3837 302e 3637 2c2d 3738 322e  .82 870.67,-782.\n-000284d0: 3420 3839 312e 3536 2c2d 3739 372e 3331  4 891.56,-797.31\n-000284e0: 2039 3832 2e34 312c 2d38 3632 2e31 3720   982.41,-862.17 \n-000284f0: 3137 3736 2e39 352c 2d38 3937 2e37 3820  1776.95,-897.78 \n-00028500: 3139 3937 2e38 312c 2d39 3036 2e34 3922  1997.81,-906.49\"\n-00028510: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00028520: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00028530: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00028540: 7473 3d22 3139 3937 2e37 362c 2d39 3039  ts=\"1997.76,-909\n-00028550: 2e39 3920 3230 3037 2e38 392c 2d39 3036  .99 2007.89,-906\n-00028560: 2e38 3920 3139 3938 2e30 342c 2d39 3033  .89 1998.04,-903\n-00028570: 2031 3939 372e 3736 2c2d 3930 392e 3939   1997.76,-909.99\n-00028580: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00028590: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n-000285a0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n-000285b0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n-000285c0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964  rdware -->.<g id\n-000285d0: 3d22 6564 6765 3236 3622 2063 6c61 7373  =\"edge266\" class\n-000285e0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-000285f0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475  module_src_testu\n-00028600: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64  tils&#45;&gt;mod\n-00028610: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00028620: 6861 7264 7761 7265 3c2f 7469 746c 653e  hardware</title>\n-00028630: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00028640: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-00028650: 643d 224d 3238 3139 2e38 392c 2d31 3034  d=\"M2819.89,-104\n-00028660: 372e 3336 4332 3739 312e 3531 2c2d 3130  7.36C2791.51,-10\n-00028670: 3634 2e34 3220 3237 3333 2e34 372c 2d31  64.42 2733.47,-1\n-00028680: 3039 362e 3834 2032 3637 392e 3536 2c2d  096.84 2679.56,-\n-00028690: 3131 3131 2e36 3620 3235 3930 2e33 382c  1111.66 2590.38,\n-000286a0: 2d31 3133 362e 3138 2032 3331 352e 322c  -1136.18 2315.2,\n-000286b0: 2d31 3135 322e 3133 2032 3230 322e 3437  -1152.13 2202.47\n-000286c0: 2c2d 3131 3537 2e37 3922 2f3e 0a3c 706f  ,-1157.79\"/>.<po\n-000286d0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n-000286e0: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n-000286f0: 696e 7473 3d22 3232 3032 2e32 322c 2d31  ints=\"2202.22,-1\n-00028700: 3135 342e 3320 3231 3932 2e34 2c2d 3131  154.3 2192.4,-11\n-00028710: 3538 2e32 3920 3232 3032 2e35 362c 2d31  58.29 2202.56,-1\n-00028720: 3136 312e 3239 2032 3230 322e 3232 2c2d  161.29 2202.22,-\n-00028730: 3131 3534 2e33 222f 3e0a 3c2f 673e 0a3c  1154.3\"/>.</g>.<\n-00028740: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74  !-- module_src_t\n-00028750: 6573 7475 7469 6c73 2623 3435 3b26 6774  estutils&#45;&gt\n-00028760: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00028770: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n-00028780: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00028790: 3637 2220 636c 6173 733d 2265 6467 6522  67\" class=\"edge\"\n-000287a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000287b0: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n-000287c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000287d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n-000287e0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061  line</title>.<pa\n-000287f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00028800: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00028810: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00028820: 3d22 352c 3222 2064 3d22 4d32 3835 302e  =\"5,2\" d=\"M2850.\n-00028830: 382c 2d31 3032 322e 3833 4332 3837 322e  8,-1022.83C2872.\n-00028840: 3537 2c2d 3130 3032 2e35 3320 3239 3133  57,-1002.53 2913\n-00028850: 2e35 362c 2d39 3538 2e30 3120 3239 3133  .56,-958.01 2913\n-00028860: 2e35 362c 2d39 3130 2e36 3220 3239 3133  .56,-910.62 2913\n-00028870: 2e35 362c 2d39 3130 2e36 3220 3239 3133  .56,-910.62 2913\n-00028880: 2e35 362c 2d39 3130 2e36 3220 3239 3133  .56,-910.62 2913\n-00028890: 2e35 362c 2d32 3137 2e30 3520 3239 3133  .56,-217.05 2913\n-000288a0: 2e35 362c 2d39 392e 3733 2032 3737 362e  .56,-99.73 2776.\n-000288b0: 342c 2d31 3630 2e33 3220 3236 3630 2e35  4,-160.32 2660.5\n-000288c0: 362c 2d31 3431 2e37 3420 3233 3835 2e37  6,-141.74 2385.7\n-000288d0: 332c 2d39 372e 3636 2031 3638 362e 3136  3,-97.66 1686.16\n-000288e0: 2c2d 3132 352e 3937 2031 3430 382e 3536  ,-125.97 1408.56\n-000288f0: 2c2d 3130 352e 3734 2031 3339 312e 382c  ,-105.74 1391.8,\n-00028900: 2d31 3034 2e35 3220 3133 3733 2e36 322c  -104.52 1373.62,\n-00028910: 2d31 3032 2e36 2031 3335 372e 3132 2c2d  -102.6 1357.12,-\n-00028920: 3130 302e 3634 222f 3e0a 3c70 6f6c 7967  100.64\"/>.<polyg\n-00028930: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00028940: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00028950: 6322 2070 6f69 6e74 733d 2231 3335 372e  c\" points=\"1357.\n-00028960: 3434 2c2d 3937 2e31 3520 3133 3437 2e30  44,-97.15 1347.0\n-00028970: 392c 2d39 392e 3431 2031 3335 362e 3539  9,-99.41 1356.59\n-00028980: 2c2d 3130 342e 3120 3133 3537 2e34 342c  ,-104.1 1357.44,\n-00028990: 2d39 372e 3135 222f 3e0a 3c2f 673e 0a3c  -97.15\"/>.</g>.<\n-000289a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74  !-- module_src_t\n-000289b0: 6573 7475 7469 6c73 2623 3435 3b26 6774  estutils&#45;&gt\n-000289c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000289d0: 6163 735f 6770 755f 7574 696c 7320 2d2d  acs_gpu_utils --\n-000289e0: 3e0a 3c67 2069 643d 2265 6467 6532 3635  >.<g id=\"edge265\n-000289f0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00028a00: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00028a10: 635f 7465 7374 7574 696c 7326 2334 353b  c_testutils&#45;\n-00028a20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00028a30: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-00028a40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00028a50: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00028a60: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00028a70: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00028a80: 3222 2064 3d22 4d32 3830 352e 3731 2c2d  2\" d=\"M2805.71,-\n-00028a90: 3130 3431 2e38 3943 3237 3930 2e38 322c  1041.89C2790.82,\n-00028aa0: 2d31 3034 342e 3331 2032 3737 322e 3832  -1044.31 2772.82\n-00028ab0: 2c2d 3130 3437 2032 3735 362e 3536 2c2d  ,-1047 2756.56,-\n-00028ac0: 3130 3438 2e37 3920 3235 3032 2e33 382c  1048.79 2502.38,\n-00028ad0: 2d31 3037 362e 3732 2032 3139 362e 3331  -1076.72 2196.31\n-00028ae0: 2c2d 3130 3930 2e37 3420 3230 3738 2e37  ,-1090.74 2078.7\n-00028af0: 392c 2d31 3039 352e 3431 222f 3e0a 3c70  9,-1095.41\"/>.<p\n-00028b00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00028b10: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00028b20: 3832 6663 6322 2070 6f69 6e74 733d 2232  82fcc\" points=\"2\n-00028b30: 3037 382e 3533 2c2d 3130 3931 2e39 3120  078.53,-1091.91 \n-00028b40: 3230 3638 2e36 372c 2d31 3039 352e 3820  2068.67,-1095.8 \n-00028b50: 3230 3738 2e38 2c2d 3130 3938 2e39 3120  2078.8,-1098.91 \n-00028b60: 3230 3738 2e35 332c 2d31 3039 312e 3931  2078.53,-1091.91\n-00028b70: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00028b80: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n-00028b90: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n-00028ba0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00028bb0: 7870 7265 7072 6f63 6573 7320 2d2d 3e0a  xpreprocess -->.\n-00028bc0: 3c67 2069 643d 2265 6467 6532 3639 2220  <g id=\"edge269\" \n-00028bd0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00028be0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00028bf0: 7465 7374 7574 696c 7326 2334 353b 2667  testutils&#45;&g\n-00028c00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00028c10: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00028c20: 7373 3c2f 7469 746c 653e 0a3c 7061 7468  ss</title>.<path\n-00028c30: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00028c40: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00028c50: 224d 3238 3037 2e38 332c 2d31 3034 332e  \"M2807.83,-1043.\n-00028c60: 3136 4332 3739 342e 3837 2c2d 3130 3435  16C2794.87,-1045\n-00028c70: 2e33 3120 3237 3739 2e35 382c 2d31 3034  .31 2779.58,-104\n-00028c80: 372e 3437 2032 3736 352e 3536 2c2d 3130  7.47 2765.56,-10\n-00028c90: 3438 2e37 3920 3235 3038 2e33 382c 2d31  48.79 2508.38,-1\n-00028ca0: 3037 332e 3031 2031 3730 302e 3238 2c2d  073.01 1700.28,-\n-00028cb0: 3130 3931 2e30 3920 3134 3539 2e37 322c  1091.09 1459.72,\n-00028cc0: 2d31 3039 352e 3933 222f 3e0a 3c70 6f6c  -1095.93\"/>.<pol\n-00028cd0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-00028ce0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-00028cf0: 6662 6622 2070 6f69 6e74 733d 2231 3435  fbf\" points=\"145\n-00028d00: 392e 3634 2c2d 3130 3932 2e34 3420 3134  9.64,-1092.44 14\n-00028d10: 3439 2e37 312c 2d31 3039 362e 3134 2031  49.71,-1096.14 1\n-00028d20: 3435 392e 3738 2c2d 3130 3939 2e34 3320  459.78,-1099.43 \n-00028d30: 3134 3539 2e36 342c 2d31 3039 322e 3434  1459.64,-1092.44\n-00028d40: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00028d50: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n-00028d60: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n-00028d70: 655f 7372 635f 6772 6f6d 6163 735f 6f6e  e_src_gromacs_on\n-00028d80: 6c69 6e65 6865 6c70 202d 2d3e 0a3c 6720  linehelp -->.<g \n-00028d90: 6964 3d22 6564 6765 3236 3822 2063 6c61  id=\"edge268\" cla\n-00028da0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00028db0: 653e 6d6f 6475 6c65 5f73 7263 5f74 6573  e>module_src_tes\n-00028dc0: 7475 7469 6c73 2623 3435 3b26 6774 3b6d  tutils&#45;&gt;m\n-00028dd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00028de0: 735f 6f6e 6c69 6e65 6865 6c70 3c2f 7469  s_onlinehelp</ti\n-00028df0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00028e00: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00028e10: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00028e20: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00028e30: 3d22 4d32 3835 372e 3934 2c2d 3130 3234  =\"M2857.94,-1024\n-00028e40: 2e31 3443 3238 3930 2e37 332c 2d31 3030  .14C2890.73,-100\n-00028e50: 362e 3039 2032 3935 312e 3536 2c2d 3936  6.09 2951.56,-96\n-00028e60: 352e 3234 2032 3935 312e 3536 2c2d 3931  5.24 2951.56,-91\n-00028e70: 302e 3632 2032 3935 312e 3536 2c2d 3931  0.62 2951.56,-91\n-00028e80: 302e 3632 2032 3935 312e 3536 2c2d 3931  0.62 2951.56,-91\n-00028e90: 302e 3632 2032 3935 312e 3536 2c2d 3135  0.62 2951.56,-15\n-00028ea0: 342e 3138 2032 3935 312e 3536 2c2d 3830  4.18 2951.56,-80\n-00028eb0: 2e32 3220 3137 3733 2e33 372c 2d34 302e  .22 1773.37,-40.\n-00028ec0: 3033 2031 3530 392e 3535 2c2d 3331 2e39  03 1509.55,-31.9\n-00028ed0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669  6\"/>.<polygon fi\n-00028ee0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00028ef0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00028f00: 696e 7473 3d22 3135 3039 2e35 372c 2d32  ints=\"1509.57,-2\n-00028f10: 382e 3436 2031 3439 392e 3437 2c2d 3331  8.46 1499.47,-31\n-00028f20: 2e36 3520 3135 3039 2e33 362c 2d33 352e  .65 1509.36,-35.\n-00028f30: 3436 2031 3530 392e 3537 2c2d 3238 2e34  46 1509.57,-28.4\n-00028f40: 3622 2f3e 0a3c 2f67 3e0a 3c2f 673e 0a3c  6\"/>.</g>.</g>.<\n-00028f50: 2f73 7667 3e0a                           /svg>.\n+00024f60: 735f 7374 6174 6973 7469 6373 202d 2d3e  s_statistics -->\n+00024f70: 0a3c 6720 6964 3d22 6564 6765 3236 3322  .<g id=\"edge263\"\n+00024f80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00024f90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00024fa0: 5f67 726f 6d61 6373 5f65 6e65 7267 7961  _gromacs_energya\n+00024fb0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n+00024fc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00024fd0: 6373 5f73 7461 7469 7374 6963 733c 2f74  cs_statistics</t\n+00024fe0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00024ff0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00025000: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00025010: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00025020: 643d 224d 3134 3431 2e38 322c 2d38 3936  d=\"M1441.82,-896\n+00025030: 2e35 3943 3134 3532 2e36 342c 2d38 3837  .59C1452.64,-887\n+00025040: 2e38 3120 3134 3637 2e35 2c2d 3837 352e  .81 1467.5,-875.\n+00025050: 3735 2031 3437 392e 3734 2c2d 3836 352e  75 1479.74,-865.\n+00025060: 3831 222f 3e0a 3c70 6f6c 7967 6f6e 2066  81\"/>.<polygon f\n+00025070: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00025080: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00025090: 6f69 6e74 733d 2231 3438 322e 3136 2c2d  oints=\"1482.16,-\n+000250a0: 3836 382e 3335 2031 3438 372e 3732 2c2d  868.35 1487.72,-\n+000250b0: 3835 392e 3333 2031 3437 372e 3735 2c2d  859.33 1477.75,-\n+000250c0: 3836 322e 3932 2031 3438 322e 3136 2c2d  862.92 1482.16,-\n+000250d0: 3836 382e 3335 222f 3e0a 3c2f 673e 0a3c  868.35\"/>.</g>.<\n+000250e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000250f0: 726f 6d61 6373 5f65 6e65 7267 7961 6e61  romacs_energyana\n+00025100: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+00025110: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00025120: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e  _commandline -->\n+00025130: 0a3c 6720 6964 3d22 6564 6765 3236 3122  .<g id=\"edge261\"\n+00025140: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00025150: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00025160: 5f67 726f 6d61 6373 5f65 6e65 7267 7961  _gromacs_energya\n+00025170: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n+00025180: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00025190: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n+000251a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000251b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000251c0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+000251d0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+000251e0: 3d22 4d31 3436 332e 3934 2c2d 3839 392e  =\"M1463.94,-899.\n+000251f0: 3434 4331 3530 372e 3431 2c2d 3838 382e  44C1507.41,-888.\n+00025200: 3634 2031 3537 392e 3537 2c2d 3837 302e  64 1579.57,-870.\n+00025210: 3731 2031 3632 362e 3436 2c2d 3835 392e  71 1626.46,-859.\n+00025220: 3036 222f 3e0a 3c70 6f6c 7967 6f6e 2066  06\"/>.<polygon f\n+00025230: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+00025240: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+00025250: 733d 2231 3632 372e 3439 2c2d 3836 322e  s=\"1627.49,-862.\n+00025260: 3431 2031 3633 362e 3335 2c2d 3835 362e  41 1636.35,-856.\n+00025270: 3620 3136 3235 2e38 2c2d 3835 352e 3632  6 1625.8,-855.62\n+00025280: 2031 3632 372e 3439 2c2d 3836 322e 3431   1627.49,-862.41\n+00025290: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000252a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000252b0: 5f65 6e65 7267 7961 6e61 6c79 7369 7326  _energyanalysis&\n+000252c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000252d0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n+000252e0: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467  a -->.<g id=\"edg\n+000252f0: 6532 3634 2220 636c 6173 733d 2265 6467  e264\" class=\"edg\n+00025300: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00025310: 655f 7372 635f 6772 6f6d 6163 735f 656e  e_src_gromacs_en\n+00025320: 6572 6779 616e 616c 7973 6973 2623 3435  ergyanalysis&#45\n+00025330: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00025340: 6772 6f6d 6163 735f 676d 7861 6e61 3c2f  gromacs_gmxana</\n+00025350: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00025360: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00025370: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+00025380: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00025390: 2064 3d22 4d31 3437 342e 3235 2c2d 3931   d=\"M1474.25,-91\n+000253a0: 372e 3034 4331 3535 352e 362c 2d39 3330  7.04C1555.6,-930\n+000253b0: 2e39 3520 3137 3139 2e39 322c 2d39 3732  .95 1719.92,-972\n+000253c0: 2e32 3620 3137 3838 2c2d 3130 3834 2e37  .26 1788,-1084.7\n+000253d0: 3920 3137 3934 2e31 382c 2d31 3039 352e  9 1794.18,-1095.\n+000253e0: 3031 2031 3739 352e 342c 2d31 3130 322e  01 1795.4,-1102.\n+000253f0: 3239 2031 3738 382c 2d31 3131 312e 3636  29 1788,-1111.66\n+00025400: 2031 3737 372e 3936 2c2d 3131 3234 2e33   1777.96,-1124.3\n+00025410: 3820 3136 3832 2e38 352c 2d31 3134 322e  8 1682.85,-1142.\n+00025420: 3937 2031 3632 362e 3435 2c2d 3131 3533  97 1626.45,-1153\n+00025430: 2e30 3222 2f3e 0a3c 706f 6c79 676f 6e20  .02\"/>.<polygon \n+00025440: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00025450: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00025460: 706f 696e 7473 3d22 3136 3235 2e36 332c  points=\"1625.63,\n+00025470: 2d31 3134 392e 3631 2031 3631 362e 3339  -1149.61 1616.39\n+00025480: 2c2d 3131 3534 2e37 3920 3136 3236 2e38  ,-1154.79 1626.8\n+00025490: 352c 2d31 3135 362e 3520 3136 3235 2e36  5,-1156.5 1625.6\n+000254a0: 332c 2d31 3134 392e 3631 222f 3e0a 3c2f  3,-1149.61\"/>.</\n+000254b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000254c0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267  rc_gromacs_energ\n+000254d0: 7961 6e61 6c79 7369 7326 2334 353b 2667  yanalysis&#45;&g\n+000254e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000254f0: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a  macs_fileio -->.\n+00025500: 3c67 2069 643d 2265 6467 6532 3632 2220  <g id=\"edge262\" \n+00025510: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00025520: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00025530: 6772 6f6d 6163 735f 656e 6572 6779 616e  gromacs_energyan\n+00025540: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n+00025550: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00025560: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+00025570: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00025580: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00025590: 6266 2220 643d 224d 3134 3638 2e33 312c  bf\" d=\"M1468.31,\n+000255a0: 2d39 3030 2e34 4331 3531 332e 3634 2c2d  -900.4C1513.64,-\n+000255b0: 3838 392e 3439 2031 3537 362e 3738 2c2d  889.49 1576.78,-\n+000255c0: 3836 372e 3439 2031 3535 312c 2d38 3333  867.49 1551,-833\n+000255d0: 2e33 3120 3135 3135 2e39 332c 2d37 3836  .31 1515.93,-786\n+000255e0: 2e38 3120 3134 3830 2e39 322c 2d38 3133  .81 1480.92,-813\n+000255f0: 2e35 3820 3134 3235 2c2d 3739 372e 3331  .58 1425,-797.31\n+00025600: 2031 3432 312e 3836 2c2d 3739 362e 3420   1421.86,-796.4 \n+00025610: 3134 3138 2e35 392c 2d37 3935 2e34 3420  1418.59,-795.44 \n+00025620: 3134 3135 2e33 322c 2d37 3934 2e34 3822  1415.32,-794.48\"\n+00025630: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00025640: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00025650: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00025660: 7473 3d22 3134 3136 2e32 342c 2d37 3931  ts=\"1416.24,-791\n+00025670: 2e31 2031 3430 352e 3636 2c2d 3739 312e  .1 1405.66,-791.\n+00025680: 3633 2031 3431 342e 3236 2c2d 3739 372e  63 1414.26,-797.\n+00025690: 3831 2031 3431 362e 3234 2c2d 3739 312e  81 1416.24,-791.\n+000256a0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+000256b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000256c0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+000256d0: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64  _awh&#45;&gt;mod\n+000256e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000256f0: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n+00025700: 643d 2265 6467 6532 3730 2220 636c 6173  d=\"edge270\" clas\n+00025710: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00025720: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00025730: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00025740: 6573 5f61 7768 2623 3435 3b26 6774 3b6d  es_awh&#45;&gt;m\n+00025750: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00025760: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+00025770: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00025780: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00025790: 6662 6622 2064 3d22 4d31 3632 382e 3839  fbf\" d=\"M1628.89\n+000257a0: 2c2d 3733 322e 3933 4331 3634 322e 3236  ,-732.93C1642.26\n+000257b0: 2c2d 3734 382e 3438 2031 3636 322e 3732  ,-748.48 1662.72\n+000257c0: 2c2d 3737 372e 3334 2031 3638 352c 2d37  ,-777.34 1685,-7\n+000257d0: 3937 2e33 3120 3137 3037 2e33 312c 2d38  97.31 1707.31,-8\n+000257e0: 3137 2e33 3120 3137 3237 2e35 342c 2d38  17.31 1727.54,-8\n+000257f0: 3037 2e30 3720 3137 3432 2c2d 3833 332e  07.07 1742,-833.\n+00025800: 3331 2031 3734 372e 3736 2c2d 3834 332e  31 1747.76,-843.\n+00025810: 3737 2031 3734 392e 3133 2c2d 3835 302e  77 1749.13,-850.\n+00025820: 3620 3137 3432 2c2d 3836 302e 3138 2031  6 1742,-860.18 1\n+00025830: 3730 382e 3736 2c2d 3930 342e 3835 2031  708.76,-904.85 1\n+00025840: 3637 352e 3231 2c2d 3837 392e 3739 2031  675.21,-879.79 1\n+00025850: 3632 322c 2d38 3936 2e31 3820 3135 3834  622,-896.18 1584\n+00025860: 2e31 342c 2d39 3037 2e38 3420 3135 3735  .14,-907.84 1575\n+00025870: 2e31 372c 2d39 3132 2e34 3320 3135 3337  .17,-912.43 1537\n+00025880: 2c2d 3932 332e 3035 2031 3330 372e 3532  ,-923.05 1307.52\n+00025890: 2c2d 3938 362e 3933 2031 3234 382e 3035  ,-986.93 1248.05\n+000258a0: 2c2d 3939 352e 3031 2031 3031 362c 2d31  ,-995.01 1016,-1\n+000258b0: 3034 382e 3739 2039 3532 2e32 372c 2d31  048.79 952.27,-1\n+000258c0: 3036 332e 3536 2038 3737 2e38 342c 2d31  063.56 877.84,-1\n+000258d0: 3037 392e 3920 3833 312e 3933 2c2d 3130  079.9 831.93,-10\n+000258e0: 3839 2e33 3322 2f3e 0a3c 706f 6c79 676f  89.33\"/>.<polygo\n+000258f0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00025900: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00025910: 2220 706f 696e 7473 3d22 3833 312e 3132  \" points=\"831.12\n+00025920: 2c2d 3130 3835 2e39 3220 3832 322e 3032  ,-1085.92 822.02\n+00025930: 2c2d 3130 3931 2e33 3420 3833 322e 3531  ,-1091.34 832.51\n+00025940: 2c2d 3130 3932 2e37 3820 3833 312e 3132  ,-1092.78 831.12\n+00025950: 2c2d 3130 3835 2e39 3222 2f3e 0a3c 2f67  ,-1085.92\"/>.</g\n+00025960: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00025970: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+00025980: 645f 666f 7263 6573 5f61 7768 2623 3435  d_forces_awh&#45\n+00025990: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000259a0: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n+000259b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237  ->.<g id=\"edge27\n+000259c0: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n+000259d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000259e0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+000259f0: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n+00025a00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00025a10: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c  _gromacs_gmxlib<\n+00025a20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00025a30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00025a40: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n+00025a50: 3539 372e 352c 2d37 3330 2e39 3443 3135  597.5,-730.94C15\n+00025a60: 3633 2e31 392c 2d37 3437 2e30 3920 3134  63.19,-747.09 14\n+00025a70: 3836 2e39 392c 2d37 3830 2e39 3520 3134  86.99,-780.95 14\n+00025a80: 3139 2c2d 3739 372e 3331 2031 3237 332e  19,-797.31 1273.\n+00025a90: 3431 2c2d 3833 322e 3334 2031 3233 302e  41,-832.34 1230.\n+00025aa0: 382c 2d38 3033 2e37 3520 3130 3834 2c2d  8,-803.75 1084,-\n+00025ab0: 3833 332e 3331 2031 3034 312e 3637 2c2d  833.31 1041.67,-\n+00025ac0: 3834 312e 3834 2039 3234 2e33 332c 2d38  841.84 924.33,-8\n+00025ad0: 3738 2e38 3720 3836 352e 3932 2c2d 3839  78.87 865.92,-89\n+00025ae0: 372e 3633 222f 3e0a 3c70 6f6c 7967 6f6e  7.63\"/>.<polygon\n+00025af0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00025b00: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00025b10: 2070 6f69 6e74 733d 2238 3634 2e35 322c   points=\"864.52,\n+00025b20: 2d38 3934 2e34 3120 3835 362e 3037 2c2d  -894.41 856.07,-\n+00025b30: 3930 302e 3831 2038 3636 2e36 362c 2d39  900.81 866.66,-9\n+00025b40: 3031 2e30 3720 3836 342e 3532 2c2d 3839  01.07 864.52,-89\n+00025b50: 342e 3431 222f 3e0a 3c2f 673e 0a3c 212d  4.41\"/>.</g>.<!-\n+00025b60: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00025b70: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00025b80: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n+00025b90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00025ba0: 6373 5f6d 6472 756e 7574 696c 6974 7920  cs_mdrunutility \n+00025bb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00025bc0: 3734 2220 636c 6173 733d 2265 6467 6522  74\" class=\"edge\"\n+00025bd0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00025be0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00025bf0: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n+00025c00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00025c10: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00025c20: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n+00025c30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00025c40: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00025c50: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00025c60: 6179 3d22 352c 3222 2064 3d22 4d31 3539  ay=\"5,2\" d=\"M159\n+00025c70: 322e 3831 2c2d 3731 332e 3935 4331 3535  2.81,-713.95C155\n+00025c80: 332e 3933 2c2d 3730 332e 3739 2031 3437  3.93,-703.79 147\n+00025c90: 352e 3035 2c2d 3638 332e 3138 2031 3432  5.05,-683.18 142\n+00025ca0: 352e 3836 2c2d 3637 302e 3333 222f 3e0a  5.86,-670.33\"/>.\n+00025cb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00025cc0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00025cd0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00025ce0: 2231 3432 362e 372c 2d36 3636 2e39 3320  \"1426.7,-666.93 \n+00025cf0: 3134 3136 2e31 342c 2d36 3637 2e37 3920  1416.14,-667.79 \n+00025d00: 3134 3234 2e39 332c 2d36 3733 2e37 3120  1424.93,-673.71 \n+00025d10: 3134 3236 2e37 2c2d 3636 362e 3933 222f  1426.7,-666.93\"/\n+00025d20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00025d30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+00025d40: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n+00025d50: 6826 2334 353b 2667 743b 6d6f 6475 6c65  h&#45;&gt;module\n+00025d60: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+00025d70: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265  pan -->.<g id=\"e\n+00025d80: 6467 6532 3735 2220 636c 6173 733d 2265  dge275\" class=\"e\n+00025d90: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00025da0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00025db0: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00025dc0: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n+00025dd0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00025de0: 7370 616e 3c2f 7469 746c 653e 0a3c 7061  span</title>.<pa\n+00025df0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00025e00: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00025e10: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00025e20: 3d22 352c 3222 2064 3d22 4d31 3634 322e  =\"5,2\" d=\"M1642.\n+00025e30: 3537 2c2d 3731 372e 3843 3137 3634 2e33  57,-717.8C1764.3\n+00025e40: 322c 2d37 3037 2e33 3320 3232 3633 2c2d  2,-707.33 2263,-\n+00025e50: 3636 302e 3532 2032 3236 332c 2d35 3936  660.52 2263,-596\n+00025e60: 2e32 3720 3232 3633 2c2d 3539 362e 3237  .27 2263,-596.27\n+00025e70: 2032 3236 332c 2d35 3936 2e32 3720 3232   2263,-596.27 22\n+00025e80: 3633 2c2d 3436 382e 3533 2032 3236 332c  63,-468.53 2263,\n+00025e90: 2d34 3139 2e30 3520 3232 3634 2e35 362c  -419.05 2264.56,\n+00025ea0: 2d34 3036 2e37 2032 3236 352c 2d33 3537  -406.7 2265,-357\n+00025eb0: 2e32 3220 3232 3636 2e31 312c 2d32 3333  .22 2266.11,-233\n+00025ec0: 2e33 3320 3232 3630 2e30 352c 2d32 3032  .33 2260.05,-202\n+00025ed0: 2e33 3520 3232 3530 2c2d 3738 2e38 3720  .35 2250,-78.87 \n+00025ee0: 3232 3439 2e33 322c 2d37 302e 3533 2032  2249.32,-70.53 2\n+00025ef0: 3234 382e 3432 2c2d 3631 2e34 2032 3234  248.42,-61.4 224\n+00025f00: 372e 3537 2c2d 3533 2e33 3322 2f3e 0a3c  7.57,-53.33\"/>.<\n+00025f10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00025f20: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00025f30: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00025f40: 3232 3531 2e30 322c 2d35 322e 3733 2032  2251.02,-52.73 2\n+00025f50: 3234 362e 3437 2c2d 3433 2e31 3720 3232  246.47,-43.17 22\n+00025f60: 3434 2e30 372c 2d35 332e 3439 2032 3235  44.07,-53.49 225\n+00025f70: 312e 3032 2c2d 3532 2e37 3322 2f3e 0a3c  1.02,-52.73\"/>.<\n+00025f80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00025f90: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00025fa0: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n+00025fb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00025fc0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n+00025fd0: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n+00025fe0: 6564 6765 3237 3222 2063 6c61 7373 3d22  edge272\" class=\"\n+00025ff0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00026000: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00026010: 5f61 7070 6c69 6564 5f66 6f72 6365 735f  _applied_forces_\n+00026020: 6177 6826 2334 353b 2667 743b 6d6f 6475  awh&#45;&gt;modu\n+00026030: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00026040: 7261 6a65 6374 6f72 793c 2f74 6974 6c65  rajectory</title\n+00026050: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00026060: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00026070: 6662 6622 2064 3d22 4d31 3634 332e 3037  fbf\" d=\"M1643.07\n+00026080: 2c2d 3731 392e 3539 4331 3732 342e 3138  ,-719.59C1724.18\n+00026090: 2c2d 3731 362e 3635 2031 3936 342e 3732  ,-716.65 1964.72\n+000260a0: 2c2d 3639 352e 3232 2032 3034 382c 2d35  ,-695.22 2048,-5\n+000260b0: 3435 2e38 3320 3230 3932 2e31 382c 2d34  45.83 2092.18,-4\n+000260c0: 3636 2e35 3820 3230 3639 2e32 312c 2d33  66.58 2069.21,-3\n+000260d0: 3532 2e30 3220 3230 3536 2e35 342c 2d33  52.02 2056.54,-3\n+000260e0: 3034 2e32 222f 3e0a 3c70 6f6c 7967 6f6e  04.2\"/>.<polygon\n+000260f0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00026100: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00026110: 2070 6f69 6e74 733d 2232 3035 392e 392c   points=\"2059.9,\n+00026120: 2d33 3033 2e32 3520 3230 3533 2e38 372c  -303.25 2053.87,\n+00026130: 2d32 3934 2e35 3420 3230 3533 2e31 362c  -294.54 2053.16,\n+00026140: 2d33 3035 2e31 3120 3230 3539 2e39 2c2d  -305.11 2059.9,-\n+00026150: 3330 332e 3235 222f 3e0a 3c2f 673e 0a3c  303.25\"/>.</g>.<\n+00026160: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00026170: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+00026180: 6f72 6365 735f 6177 6826 2334 353b 2667  orces_awh&#45;&g\n+00026190: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000261a0: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a  macs_fileio -->.\n+000261b0: 3c67 2069 643d 2265 6467 6532 3731 2220  <g id=\"edge271\" \n+000261c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000261d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000261e0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+000261f0: 666f 7263 6573 5f61 7768 2623 3435 3b26  forces_awh&#45;&\n+00026200: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00026210: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+00026220: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00026230: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00026240: 6266 6266 6266 2220 643d 224d 3135 3936  bfbfbf\" d=\"M1596\n+00026250: 2e37 322c 2d37 3330 2e37 3443 3135 3932  .72,-730.74C1592\n+00026260: 2e35 332c 2d37 3332 2e30 3220 3135 3838  .53,-732.02 1588\n+00026270: 2e31 362c 2d37 3333 2e32 3920 3135 3834  .16,-733.29 1584\n+00026280: 2c2d 3733 342e 3434 2031 3532 362e 3236  ,-734.44 1526.26\n+00026290: 2c2d 3735 302e 3437 2031 3435 382e 3132  ,-750.47 1458.12\n+000262a0: 2c2d 3736 372e 3133 2031 3431 372e 3638  ,-767.13 1417.68\n+000262b0: 2c2d 3737 362e 3133 222f 3e0a 3c70 6f6c  ,-776.13\"/>.<pol\n+000262c0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+000262d0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+000262e0: 6662 6622 2070 6f69 6e74 733d 2231 3431  fbf\" points=\"141\n+000262f0: 362e 382c 2d37 3732 2e37 3420 3134 3037  6.8,-772.74 1407\n+00026300: 2e37 382c 2d37 3738 2e33 2031 3431 382e  .78,-778.3 1418.\n+00026310: 332c 2d37 3739 2e35 3820 3134 3136 2e38  3,-779.58 1416.8\n+00026320: 2c2d 3737 322e 3734 222f 3e0a 3c2f 673e  ,-772.74\"/>.</g>\n+00026330: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00026340: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00026350: 5f66 6f72 6365 735f 6177 6826 2334 353b  _forces_awh&#45;\n+00026360: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00026370: 726f 6d61 6373 5f72 616e 646f 6d20 2d2d  romacs_random --\n+00026380: 3e0a 3c67 2069 643d 2265 6467 6532 3736  >.<g id=\"edge276\n+00026390: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000263a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000263b0: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+000263c0: 645f 666f 7263 6573 5f61 7768 2623 3435  d_forces_awh&#45\n+000263d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000263e0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n+000263f0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00026400: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00026410: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+00026420: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00026430: 3d22 4d31 3538 382e 3633 2c2d 3731 392e  =\"M1588.63,-719.\n+00026440: 3838 4331 3434 352e 3434 2c2d 3731 382e  88C1445.44,-718.\n+00026450: 3534 2037 3835 2e33 312c 2d37 3033 2e37  54 785.31,-703.7\n+00026460: 3920 3638 342c 2d35 3435 2e38 3320 3637  9 684,-545.83 67\n+00026470: 372e 3535 2c2d 3533 352e 3738 2036 3739  7.55,-535.78 679\n+00026480: 2e39 332c 2d35 3330 2e31 3920 3638 342c  .93,-530.19 684,\n+00026490: 2d35 3138 2e39 3620 3639 312e 3039 2c2d  -518.96 691.09,-\n+000264a0: 3439 392e 3338 2037 3034 2e39 352c 2d35  499.38 704.95,-5\n+000264b0: 3031 2e37 3220 3731 342c 2d34 3832 2e39  01.72 714,-482.9\n+000264c0: 3620 3734 332e 3031 2c2d 3432 322e 3820  6 743.01,-422.8 \n+000264d0: 3735 312e 3532 2c2d 3334 322e 3932 2037  751.52,-342.92 7\n+000264e0: 3534 2c2d 3330 342e 3438 222f 3e0a 3c70  54,-304.48\"/>.<p\n+000264f0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n+00026500: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n+00026510: 6b22 2070 6f69 6e74 733d 2237 3537 2e35  k\" points=\"757.5\n+00026520: 2c2d 3330 342e 3534 2037 3534 2e35 372c  ,-304.54 754.57,\n+00026530: 2d32 3934 2e33 3620 3735 302e 3531 2c2d  -294.36 750.51,-\n+00026540: 3330 342e 3135 2037 3537 2e35 2c2d 3330  304.15 757.5,-30\n+00026550: 342e 3534 222f 3e0a 3c2f 673e 0a3c 212d  4.54\"/>.</g>.<!-\n+00026560: 2d20 6d6f 6475 6c65 5f73 7263 5f74 6573  - module_src_tes\n+00026570: 7475 7469 6c73 2623 3435 3b26 6774 3b6d  tutils&#45;&gt;m\n+00026580: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00026590: 735f 6770 755f 7574 696c 7320 2d2d 3e0a  s_gpu_utils -->.\n+000265a0: 3c67 2069 643d 2265 6467 6532 3637 2220  <g id=\"edge267\" \n+000265b0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000265c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000265d0: 7465 7374 7574 696c 7326 2334 353b 2667  testutils&#45;&g\n+000265e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000265f0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n+00026600: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00026610: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00026620: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00026630: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00026640: 2064 3d22 4d32 3339 312e 3239 2c2d 3130   d=\"M2391.29,-10\n+00026650: 3838 2e34 3143 3233 3836 2e32 382c 2d31  88.41C2386.28,-1\n+00026660: 3038 362e 3935 2032 3338 312e 3032 2c2d  086.95 2381.02,-\n+00026670: 3130 3835 2e36 3420 3233 3736 2c2d 3130  1085.64 2376,-10\n+00026680: 3834 2e37 3920 3230 3933 2e35 332c 2d31  84.79 2093.53,-1\n+00026690: 3033 372e 3133 2031 3137 372e 3834 2c2d  037.13 1177.84,-\n+000266a0: 3130 3335 2e38 2039 3533 2e38 312c 2d31  1035.8 953.81,-1\n+000266b0: 3033 362e 3222 2f3e 0a3c 706f 6c79 676f  036.2\"/>.<polygo\n+000266c0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+000266d0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+000266e0: 2220 706f 696e 7473 3d22 3935 332e 3636  \" points=\"953.66\n+000266f0: 2c2d 3130 3332 2e37 2039 3433 2e36 372c  ,-1032.7 943.67,\n+00026700: 2d31 3033 362e 3232 2039 3533 2e36 372c  -1036.22 953.67,\n+00026710: 2d31 3033 392e 3720 3935 332e 3636 2c2d  -1039.7 953.66,-\n+00026720: 3130 3332 2e37 222f 3e0a 3c2f 673e 0a3c  1032.7\"/>.</g>.<\n+00026730: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74  !-- module_src_t\n+00026740: 6573 7475 7469 6c73 2623 3435 3b26 6774  estutils&#45;&gt\n+00026750: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00026760: 6163 735f 6f6e 6c69 6e65 6865 6c70 202d  acs_onlinehelp -\n+00026770: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236  ->.<g id=\"edge26\n+00026780: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+00026790: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000267a0: 7263 5f74 6573 7475 7469 6c73 2623 3435  rc_testutils&#45\n+000267b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000267c0: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865  gromacs_onlinehe\n+000267d0: 6c70 3c2f 7469 746c 653e 0a3c 7061 7468  lp</title>.<path\n+000267e0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+000267f0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00026800: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00026810: 352c 3222 2064 3d22 4d32 3431 342e 3634  5,2\" d=\"M2414.64\n+00026820: 2c2d 3130 3834 2e36 4332 3431 322e 3336  ,-1084.6C2412.36\n+00026830: 2c2d 3130 3632 2e32 3320 3234 3038 2c2d  ,-1062.23 2408,-\n+00026840: 3130 3134 2e31 3720 3234 3038 2c2d 3937  1014.17 2408,-97\n+00026850: 332e 3439 2032 3430 382c 2d39 3733 2e34  3.49 2408,-973.4\n+00026860: 3920 3234 3038 2c2d 3937 332e 3439 2032  9 2408,-973.49 2\n+00026870: 3430 382c 2d39 3038 2e36 3220 3234 3038  408,-908.62 2408\n+00026880: 2c2d 3837 322e 3037 2032 3430 342e 3135  ,-872.07 2404.15\n+00026890: 2c2d 3835 352e 3334 2032 3337 352c 2d38  ,-855.34 2375,-8\n+000268a0: 3333 2e33 3120 3233 3238 2e37 362c 2d37  33.31 2328.76,-7\n+000268b0: 3938 2e33 3720 3231 3631 2e30 382c 2d37  98.37 2161.08,-7\n+000268c0: 3838 2e36 3320 3230 3734 2e35 322c 2d37  88.63 2074.52,-7\n+000268d0: 3835 2e39 3222 2f3e 0a3c 706f 6c79 676f  85.92\"/>.<polygo\n+000268e0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+000268f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00026900: 2220 706f 696e 7473 3d22 3230 3734 2e34  \" points=\"2074.4\n+00026910: 382c 2d37 3832 2e34 3220 3230 3634 2e33  8,-782.42 2064.3\n+00026920: 382c 2d37 3835 2e36 3220 3230 3734 2e32  8,-785.62 2074.2\n+00026930: 372c 2d37 3839 2e34 3120 3230 3734 2e34  7,-789.41 2074.4\n+00026940: 382c 2d37 3832 2e34 3222 2f3e 0a3c 2f67  8,-782.42\"/>.</g\n+00026950: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00026960: 635f 7465 7374 7574 696c 7326 2334 353b  c_testutils&#45;\n+00026970: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00026980: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+00026990: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22  cess -->.<g id=\"\n+000269a0: 6564 6765 3236 3922 2063 6c61 7373 3d22  edge269\" class=\"\n+000269b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000269c0: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+000269d0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+000269e0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+000269f0: 7870 7265 7072 6f63 6573 733c 2f74 6974  xpreprocess</tit\n+00026a00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00026a10: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00026a20: 6662 6662 6622 2064 3d22 4d32 3430 322e  fbfbf\" d=\"M2402.\n+00026a30: 3838 2c2d 3131 3130 2e37 3543 3233 3832  88,-1110.75C2382\n+00026a40: 2e30 392c 2d31 3132 382e 3231 2032 3333  .09,-1128.21 233\n+00026a50: 392e 3538 2c2d 3131 3630 2e37 3820 3232  9.58,-1160.78 22\n+00026a60: 3937 2c2d 3131 3734 2e35 3320 3231 3632  97,-1174.53 2162\n+00026a70: 2e31 322c 2d31 3231 382e 3039 2031 3733  .12,-1218.09 173\n+00026a80: 342e 3932 2c2d 3132 3232 2e39 3820 3135  4.92,-1222.98 15\n+00026a90: 3636 2e38 362c 2d31 3232 332e 3137 222f  66.86,-1223.17\"/\n+00026aa0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00026ab0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00026ac0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00026ad0: 733d 2231 3536 362e 3635 2c2d 3132 3139  s=\"1566.65,-1219\n+00026ae0: 2e36 3720 3135 3536 2e36 352c 2d31 3232  .67 1556.65,-122\n+00026af0: 332e 3138 2031 3536 362e 3635 2c2d 3132  3.18 1566.65,-12\n+00026b00: 3236 2e36 3720 3135 3636 2e36 352c 2d31  26.67 1566.65,-1\n+00026b10: 3231 392e 3637 222f 3e0a 3c2f 673e 0a3c  219.67\"/>.</g>.<\n+00026b20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74  !-- module_src_t\n+00026b30: 6573 7475 7469 6c73 2623 3435 3b26 6774  estutils&#45;&gt\n+00026b40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00026b50: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n+00026b60: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00026b70: 3635 2220 636c 6173 733d 2265 6467 6522  65\" class=\"edge\"\n+00026b80: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00026b90: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n+00026ba0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00026bb0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n+00026bc0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061  line</title>.<pa\n+00026bd0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00026be0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00026bf0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00026c00: 3d22 352c 3222 2064 3d22 4d32 3430 312e  =\"5,2\" d=\"M2401.\n+00026c10: 3535 2c2d 3130 3835 2e38 3443 3233 3831  55,-1085.84C2381\n+00026c20: 2e33 352c 2d31 3037 302e 3233 2032 3334  .35,-1070.23 234\n+00026c30: 332e 322c 2d31 3034 312e 3837 2032 3330  3.2,-1041.87 230\n+00026c40: 382c 2d31 3032 312e 3932 2032 3131 332e  8,-1021.92 2113.\n+00026c50: 3432 2c2d 3931 312e 3637 2031 3834 352e  42,-911.67 1845.\n+00026c60: 3435 2c2d 3836 382e 3236 2031 3732 392e  45,-868.26 1729.\n+00026c70: 3431 2c2d 3835 332e 3838 222f 3e0a 3c70  41,-853.88\"/>.<p\n+00026c80: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00026c90: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00026ca0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+00026cb0: 3732 392e 3637 2c2d 3835 302e 3338 2031  729.67,-850.38 1\n+00026cc0: 3731 392e 3332 2c2d 3835 322e 3635 2031  719.32,-852.65 1\n+00026cd0: 3732 382e 3833 2c2d 3835 372e 3333 2031  728.83,-857.33 1\n+00026ce0: 3732 392e 3637 2c2d 3835 302e 3338 222f  729.67,-850.38\"/\n+00026cf0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00026d00: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n+00026d10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00026d20: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n+00026d30: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22  ware -->.<g id=\"\n+00026d40: 6564 6765 3236 3822 2063 6c61 7373 3d22  edge268\" class=\"\n+00026d50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00026d60: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+00026d70: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+00026d80: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+00026d90: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n+00026da0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00026db0: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+00026dc0: 224d 3234 3237 2e38 342c 2d31 3038 352e  \"M2427.84,-1085.\n+00026dd0: 3433 4332 3434 372e 3333 2c2d 3130 3634  43C2447.33,-1064\n+00026de0: 2e37 2032 3438 342c 2d31 3031 392e 3537  .7 2484,-1019.57\n+00026df0: 2032 3438 342c 2d39 3733 2e34 3920 3234   2484,-973.49 24\n+00026e00: 3834 2c2d 3937 332e 3439 2032 3438 342c  84,-973.49 2484,\n+00026e10: 2d39 3733 2e34 3920 3234 3834 2c2d 3436  -973.49 2484,-46\n+00026e20: 382e 3533 2032 3438 342c 2d32 3335 2e36  8.53 2484,-235.6\n+00026e30: 2032 3133 352e 3431 2c2d 3133 312e 3834   2135.41,-131.84\n+00026e40: 2032 3031 322e 3337 2c2d 3130 322e 3438   2012.37,-102.48\n+00026e50: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00026e60: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+00026e70: 7265 6422 2070 6f69 6e74 733d 2232 3031  red\" points=\"201\n+00026e80: 332e 3038 2c2d 3939 2e30 3520 3230 3032  3.08,-99.05 2002\n+00026e90: 2e35 342c 2d31 3030 2e31 3720 3230 3131  .54,-100.17 2011\n+00026ea0: 2e34 382c 2d31 3035 2e38 3620 3230 3133  .48,-105.86 2013\n+00026eb0: 2e30 382c 2d39 392e 3035 222f 3e0a 3c2f  .08,-99.05\"/>.</\n+00026ec0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00026ed0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n+00026ee0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n+00026ef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00026f00: 6373 5f6f 6e6c 696e 6568 656c 7020 2d2d  cs_onlinehelp --\n+00026f10: 3e0a 3c67 2069 643d 2265 6467 6532 3835  >.<g id=\"edge285\n+00026f20: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00026f30: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00026f40: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n+00026f50: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n+00026f60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00026f70: 735f 6f6e 6c69 6e65 6865 6c70 3c2f 7469  s_onlinehelp</ti\n+00026f80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00026f90: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00026fa0: 3263 6363 3238 2220 7374 726f 6b65 2d64  2ccc28\" stroke-d\n+00026fb0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00026fc0: 3d22 4d32 3437 302e 3035 2c2d 3130 362e  =\"M2470.05,-106.\n+00026fd0: 3032 4332 3437 392e 3931 2c2d 3136 372e  02C2479.91,-167.\n+00026fe0: 3338 2032 3532 322c 2d34 3331 2e33 3420  38 2522,-431.34 \n+00026ff0: 3235 3232 2c2d 3436 382e 3533 2032 3532  2522,-468.53 252\n+00027000: 322c 2d36 3539 2e31 3420 3235 3232 2c2d  2,-659.14 2522,-\n+00027010: 3635 392e 3134 2032 3532 322c 2d36 3539  659.14 2522,-659\n+00027020: 2e31 3420 3235 3232 2c2d 3735 302e 3638  .14 2522,-750.68\n+00027030: 2032 3230 322e 3137 2c2d 3737 342e 3934   2202.17,-774.94\n+00027040: 2032 3037 342e 312c 2d37 3830 2e39 3922   2074.1,-780.99\"\n+00027050: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00027060: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n+00027070: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n+00027080: 7473 3d22 3230 3733 2e36 2c2d 3737 372e  ts=\"2073.6,-777.\n+00027090: 3531 2032 3036 332e 3737 2c2d 3738 312e  51 2063.77,-781.\n+000270a0: 3436 2032 3037 332e 3932 2c2d 3738 342e  46 2073.92,-784.\n+000270b0: 3520 3230 3733 2e36 2c2d 3737 372e 3531  5 2073.6,-777.51\n+000270c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000270d0: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n+000270e0: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n+000270f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00027100: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+00027110: 726f 6365 7373 202d 2d3e 0a3c 6720 6964  rocess -->.<g id\n+00027120: 3d22 6564 6765 3238 3122 2063 6c61 7373  =\"edge281\" class\n+00027130: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00027140: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n+00027150: 616d 735f 6d64 7275 6e5f 7465 7374 7326  ams_mdrun_tests&\n+00027160: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00027170: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+00027180: 6570 726f 6365 7373 3c2f 7469 746c 653e  eprocess</title>\n+00027190: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000271a0: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n+000271b0: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n+000271c0: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n+000271d0: 3437 342e 3839 2c2d 3130 352e 3731 4332  474.89,-105.71C2\n+000271e0: 3437 392e 3937 2c2d 3131 352e 3320 3234  479.97,-115.3 24\n+000271f0: 3836 2e37 312c 2d31 3239 2e30 3420 3234  86.71,-129.04 24\n+00027200: 3931 2c2d 3134 312e 3734 2032 3533 382e  91,-141.74 2538.\n+00027210: 352c 2d32 3832 2e33 3820 3235 3630 2c2d  5,-282.38 2560,-\n+00027220: 3332 302e 3039 2032 3536 302c 2d34 3638  320.09 2560,-468\n+00027230: 2e35 3320 3235 3630 2c2d 3635 392e 3134  .53 2560,-659.14\n+00027240: 2032 3536 302c 2d36 3539 2e31 3420 3235   2560,-659.14 25\n+00027250: 3630 2c2d 3635 392e 3134 2032 3536 302c  60,-659.14 2560,\n+00027260: 2d37 3938 2e39 3820 3235 3232 2c2d 3833  -798.98 2522,-83\n+00027270: 312e 3634 2032 3532 322c 2d39 3731 2e34  1.64 2522,-971.4\n+00027280: 3920 3235 3232 2c2d 3130 3336 2e33 3620  9 2522,-1036.36 \n+00027290: 3235 3232 2c2d 3130 3336 2e33 3620 3235  2522,-1036.36 25\n+000272a0: 3232 2c2d 3130 3336 2e33 3620 3235 3232  22,-1036.36 2522\n+000272b0: 2c2d 3131 3338 2e36 3220 3234 3336 2e37  ,-1138.62 2436.7\n+000272c0: 2c2d 3131 3437 2e37 3420 3233 3338 2c2d  ,-1147.74 2338,-\n+000272d0: 3131 3734 2e35 3320 3231 3933 2e32 312c  1174.53 2193.21,\n+000272e0: 2d31 3231 332e 3833 2031 3733 392e 3938  -1213.83 1739.98\n+000272f0: 2c2d 3132 3231 2e32 3520 3135 3636 2e34  ,-1221.25 1566.4\n+00027300: 392c 2d31 3232 322e 3634 222f 3e0a 3c70  9,-1222.64\"/>.<p\n+00027310: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263  olygon fill=\"#2c\n+00027320: 6363 3238 2220 7374 726f 6b65 3d22 2332  cc28\" stroke=\"#2\n+00027330: 6363 6332 3822 2070 6f69 6e74 733d 2231  ccc28\" points=\"1\n+00027340: 3536 362e 3433 2c2d 3132 3139 2e31 3420  566.43,-1219.14 \n+00027350: 3135 3536 2e34 362c 2d31 3232 322e 3732  1556.46,-1222.72\n+00027360: 2031 3536 362e 3439 2c2d 3132 3236 2e31   1566.49,-1226.1\n+00027370: 3420 3135 3636 2e34 332c 2d31 3231 392e  4 1566.43,-1219.\n+00027380: 3134 222f 3e0a 3c2f 673e 0a3c 212d 2d20  14\"/>.</g>.<!-- \n+00027390: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n+000273a0: 616d 735f 6d64 7275 6e5f 7465 7374 7326  ams_mdrun_tests&\n+000273b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000273c0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+000273d0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964  ndline -->.<g id\n+000273e0: 3d22 6564 6765 3238 3022 2063 6c61 7373  =\"edge280\" class\n+000273f0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00027400: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n+00027410: 616d 735f 6d64 7275 6e5f 7465 7374 7326  ams_mdrun_tests&\n+00027420: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00027430: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+00027440: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c  ndline</title>.<\n+00027450: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00027460: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00027470: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00027480: 6179 3d22 352c 3222 2064 3d22 4d32 3439  ay=\"5,2\" d=\"M249\n+00027490: 322e 3338 2c2d 3130 352e 3234 4332 3530  2.38,-105.24C250\n+000274a0: 362e 3731 2c2d 3131 332e 3532 2032 3532  6.71,-113.52 252\n+000274b0: 332e 3935 2c2d 3132 352e 3920 3235 3334  3.95,-125.9 2534\n+000274c0: 2c2d 3134 312e 3734 2032 3537 332e 3635  ,-141.74 2573.65\n+000274d0: 2c2d 3230 342e 3232 2032 3539 382c 2d33  ,-204.22 2598,-3\n+000274e0: 3934 2e35 3320 3235 3938 2c2d 3436 382e  94.53 2598,-468.\n+000274f0: 3533 2032 3539 382c 2d36 3539 2e31 3420  53 2598,-659.14 \n+00027500: 3235 3938 2c2d 3635 392e 3134 2032 3539  2598,-659.14 259\n+00027510: 382c 2d36 3539 2e31 3420 3235 3938 2c2d  8,-659.14 2598,-\n+00027520: 3732 362e 3638 2032 3532 392e 3731 2c2d  726.68 2529.71,-\n+00027530: 3731 322e 3031 2032 3436 362c 2d37 3334  712.01 2466,-734\n+00027540: 2e34 3420 3232 3035 2e32 382c 2d38 3236  .44 2205.28,-826\n+00027550: 2e32 3420 3138 3731 2e32 392c 2d38 3432  .24 1871.29,-842\n+00027560: 2e35 3920 3137 3334 2e35 372c 2d38 3435  .59 1734.57,-845\n+00027570: 2e33 3122 2f3e 0a3c 706f 6c79 676f 6e20  .31\"/>.<polygon \n+00027580: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00027590: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+000275a0: 706f 696e 7473 3d22 3137 3334 2e32 332c  points=\"1734.23,\n+000275b0: 2d38 3431 2e38 3220 3137 3234 2e32 392c  -841.82 1724.29,\n+000275c0: 2d38 3435 2e35 2031 3733 342e 3336 2c2d  -845.5 1734.36,-\n+000275d0: 3834 382e 3832 2031 3733 342e 3233 2c2d  848.82 1734.23,-\n+000275e0: 3834 312e 3832 222f 3e0a 3c2f 673e 0a3c  841.82\"/>.</g>.<\n+000275f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n+00027600: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n+00027610: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n+00027620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00027630: 6f6f 6c73 202d 2d3e 0a3c 6720 6964 3d22  ools -->.<g id=\"\n+00027640: 6564 6765 3238 3422 2063 6c61 7373 3d22  edge284\" class=\"\n+00027650: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00027660: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n+00027670: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n+00027680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00027690: 5f67 726f 6d61 6373 5f74 6f6f 6c73 3c2f  _gromacs_tools</\n+000276a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000276b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000276c0: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+000276d0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+000276e0: 2064 3d22 4d32 3439 392e 3933 2c2d 3130   d=\"M2499.93,-10\n+000276f0: 342e 3843 3235 3137 2e39 362c 2d31 3132  4.8C2517.96,-112\n+00027700: 2e37 3320 3235 3339 2e36 392c 2d31 3234  .73 2539.69,-124\n+00027710: 2e38 3920 3235 3534 2c2d 3134 312e 3734  .89 2554,-141.74\n+00027720: 2032 3635 302e 3936 2c2d 3235 352e 3835   2650.96,-255.85\n+00027730: 2032 3633 362c 2d33 3138 2e37 3820 3236   2636,-318.78 26\n+00027740: 3336 2c2d 3436 382e 3533 2032 3633 362c  36,-468.53 2636,\n+00027750: 2d36 3539 2e31 3420 3236 3336 2c2d 3635  -659.14 2636,-65\n+00027760: 392e 3134 2032 3633 362c 2d36 3539 2e31  9.14 2636,-659.1\n+00027770: 3420 3236 3336 2c2d 3830 322e 3031 2032  4 2636,-802.01 2\n+00027780: 3536 302c 2d38 3238 2e36 3120 3235 3630  560,-828.61 2560\n+00027790: 2c2d 3937 312e 3439 2032 3536 302c 2d31  ,-971.49 2560,-1\n+000277a0: 3033 362e 3336 2032 3536 302c 2d31 3033  036.36 2560,-103\n+000277b0: 362e 3336 2032 3536 302c 2d31 3033 362e  6.36 2560,-1036.\n+000277c0: 3336 2032 3536 302c 2d31 3138 372e 3420  36 2560,-1187.4 \n+000277d0: 3234 3331 2e36 2c2d 3131 3937 2e32 3420  2431.6,-1197.24 \n+000277e0: 3232 3836 2c2d 3132 3337 2e34 2032 3137  2286,-1237.4 217\n+000277f0: 352e 3436 2c2d 3132 3637 2e38 3920 3133  5.46,-1267.89 13\n+00027800: 3436 2e37 352c 2d31 3238 322e 3339 2031  46.75,-1282.39 1\n+00027810: 3136 302e 3231 2c2d 3132 3835 2e32 3922  160.21,-1285.29\"\n+00027820: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00027830: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n+00027840: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n+00027850: 7473 3d22 3131 3630 2e30 332c 2d31 3238  ts=\"1160.03,-128\n+00027860: 312e 3739 2031 3135 302e 3038 2c2d 3132  1.79 1150.08,-12\n+00027870: 3835 2e34 3420 3131 3630 2e31 342c 2d31  85.44 1160.14,-1\n+00027880: 3238 382e 3739 2031 3136 302e 3033 2c2d  288.79 1160.03,-\n+00027890: 3132 3831 2e37 3922 2f3e 0a3c 2f67 3e0a  1281.79\"/>.</g>.\n+000278a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000278b0: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74  programs_mdrun_t\n+000278c0: 6573 7473 2623 3435 3b26 6774 3b6d 6f64  ests&#45;&gt;mod\n+000278d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000278e0: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n+000278f0: 6964 3d22 6564 6765 3238 3322 2063 6c61  id=\"edge283\" cla\n+00027900: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00027910: 653e 6d6f 6475 6c65 5f73 7263 5f70 726f  e>module_src_pro\n+00027920: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n+00027930: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00027940: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+00027950: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70  dware</title>.<p\n+00027960: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00027970: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+00027980: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00027990: 793d 2235 2c32 2220 643d 224d 3234 3336  y=\"5,2\" d=\"M2436\n+000279a0: 2e32 392c 2d31 3034 2e38 3843 3234 3136  .29,-104.88C2416\n+000279b0: 2e36 372c 2d31 3131 2e39 3820 3233 3930  .67,-111.98 2390\n+000279c0: 2e37 382c 2d31 3230 2e31 3220 3233 3637  .78,-120.12 2367\n+000279d0: 2c2d 3132 332e 3734 2032 3233 392e 3134  ,-123.74 2239.14\n+000279e0: 2c2d 3134 332e 3138 2032 3038 362e 3138  ,-143.18 2086.18\n+000279f0: 2c2d 3131 372e 3433 2032 3031 332e 3036  ,-117.43 2013.06\n+00027a00: 2c2d 3130 322e 3135 222f 3e0a 3c70 6f6c  ,-102.15\"/>.<pol\n+00027a10: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n+00027a20: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n+00027a30: 6332 3822 2070 6f69 6e74 733d 2232 3031  c28\" points=\"201\n+00027a40: 332e 3337 2c2d 3938 2e36 3420 3230 3032  3.37,-98.64 2002\n+00027a50: 2e38 362c 2d39 392e 3938 2032 3031 312e  .86,-99.98 2011.\n+00027a60: 3931 2c2d 3130 352e 3438 2032 3031 332e  91,-105.48 2013.\n+00027a70: 3337 2c2d 3938 2e36 3422 2f3e 0a3c 2f67  37,-98.64\"/>.</g\n+00027a80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00027a90: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n+00027aa0: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n+00027ab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00027ac0: 735f 6d64 7370 616e 202d 2d3e 0a3c 6720  s_mdspan -->.<g \n+00027ad0: 6964 3d22 6564 6765 3237 3922 2063 6c61  id=\"edge279\" cla\n+00027ae0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00027af0: 653e 6d6f 6475 6c65 5f73 7263 5f70 726f  e>module_src_pro\n+00027b00: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n+00027b10: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00027b20: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+00027b30: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174  pan</title>.<pat\n+00027b40: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00027b50: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n+00027b60: 3432 372e 3837 2c2d 3830 2e33 3543 3233  427.87,-80.35C23\n+00027b70: 3836 2e36 312c 2d36 392e 3039 2032 3332  86.61,-69.09 232\n+00027b80: 322e 3833 2c2d 3531 2e36 3820 3232 3832  2.83,-51.68 2282\n+00027b90: 2e35 342c 2d34 302e 3638 222f 3e0a 3c70  .54,-40.68\"/>.<p\n+00027ba0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+00027bb0: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+00027bc0: 6f69 6e74 733d 2232 3238 332e 3339 2c2d  oints=\"2283.39,-\n+00027bd0: 3337 2e32 3920 3232 3732 2e38 322c 2d33  37.29 2272.82,-3\n+00027be0: 382e 3033 2032 3238 312e 3535 2c2d 3434  8.03 2281.55,-44\n+00027bf0: 2e30 3420 3232 3833 2e33 392c 2d33 372e  .04 2283.39,-37.\n+00027c00: 3239 222f 3e0a 3c2f 673e 0a3c 212d 2d20  29\"/>.</g>.<!-- \n+00027c10: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n+00027c20: 616d 735f 6d64 7275 6e5f 7465 7374 7326  ams_mdrun_tests&\n+00027c30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00027c40: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n+00027c50: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467  a -->.<g id=\"edg\n+00027c60: 6532 3832 2220 636c 6173 733d 2265 6467  e282\" class=\"edg\n+00027c70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00027c80: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n+00027c90: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n+00027ca0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00027cb0: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469  omacs_gmxana</ti\n+00027cc0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00027cd0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00027ce0: 3263 6363 3238 2220 7374 726f 6b65 2d64  2ccc28\" stroke-d\n+00027cf0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00027d00: 3d22 4d32 3533 342e 3135 2c2d 3130 302e  =\"M2534.15,-100.\n+00027d10: 3935 4332 3536 312e 3635 2c2d 3130 372e  95C2561.65,-107.\n+00027d20: 3437 2032 3539 312e 3632 2c2d 3131 392e  47 2591.62,-119.\n+00027d30: 3532 2032 3631 312c 2d31 3431 2e37 3420  52 2611,-141.74 \n+00027d40: 3236 3335 2e33 312c 2d31 3639 2e36 3120  2635.31,-169.61 \n+00027d50: 3236 3734 2c2d 3433 312e 3535 2032 3637  2674,-431.55 267\n+00027d60: 342c 2d34 3638 2e35 3320 3236 3734 2c2d  4,-468.53 2674,-\n+00027d70: 3635 392e 3134 2032 3637 342c 2d36 3539  659.14 2674,-659\n+00027d80: 2e31 3420 3236 3734 2c2d 3635 392e 3134  .14 2674,-659.14\n+00027d90: 2032 3637 342c 2d37 3530 2e37 2032 3635   2674,-750.7 265\n+00027da0: 322e 3538 2c2d 3737 312e 3720 3236 3239  2.58,-771.7 2629\n+00027db0: 2c2d 3836 302e 3138 2032 3631 352e 3738  ,-860.18 2615.78\n+00027dc0: 2c2d 3930 392e 3820 3235 3938 2c2d 3932  ,-909.8 2598,-92\n+00027dd0: 302e 3133 2032 3539 382c 2d39 3731 2e34  0.13 2598,-971.4\n+00027de0: 3920 3235 3938 2c2d 3130 3336 2e33 3620  9 2598,-1036.36 \n+00027df0: 3235 3938 2c2d 3130 3336 2e33 3620 3235  2598,-1036.36 25\n+00027e00: 3938 2c2d 3130 3336 2e33 3620 3235 3938  98,-1036.36 2598\n+00027e10: 2c2d 3131 3035 2e38 3420 3235 3237 2e38  ,-1105.84 2527.8\n+00027e20: 392c 2d31 3039 322e 3835 2032 3436 312c  9,-1092.85 2461,\n+00027e30: 2d31 3131 312e 3636 2032 3239 322e 392c  -1111.66 2292.9,\n+00027e40: 2d31 3135 382e 3935 2031 3834 392e 3931  -1158.95 1849.91\n+00027e50: 2c2d 3131 3331 2e38 3220 3136 3736 2c2d  ,-1131.82 1676,-\n+00027e60: 3131 3437 2e36 3620 3136 3630 2c2d 3131  1147.66 1660,-11\n+00027e70: 3439 2e31 3220 3136 3432 2e35 2c2d 3131  49.12 1642.5,-11\n+00027e80: 3531 2e33 3520 3136 3237 2e31 362c 2d31  51.35 1627.16,-1\n+00027e90: 3135 332e 3533 222f 3e0a 3c70 6f6c 7967  153.53\"/>.<polyg\n+00027ea0: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00027eb0: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00027ec0: 3822 2070 6f69 6e74 733d 2231 3632 362e  8\" points=\"1626.\n+00027ed0: 3332 2c2d 3131 3530 2e31 3220 3136 3136  32,-1150.12 1616\n+00027ee0: 2e39 332c 2d31 3135 352e 3032 2031 3632  .93,-1155.02 162\n+00027ef0: 372e 3333 2c2d 3131 3537 2e30 3420 3136  7.33,-1157.04 16\n+00027f00: 3236 2e33 322c 2d31 3135 302e 3132 222f  26.32,-1150.12\"/\n+00027f10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00027f20: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n+00027f30: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n+00027f40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00027f50: 726f 6d61 6373 5f74 7261 6a65 6374 6f72  romacs_trajector\n+00027f60: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n+00027f70: 6532 3737 2220 636c 6173 733d 2265 6467  e277\" class=\"edg\n+00027f80: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00027f90: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n+00027fa0: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n+00027fb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00027fc0: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+00027fd0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00027fe0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00027ff0: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n+00028000: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00028010: 3222 2064 3d22 4d32 3434 312e 3536 2c2d  2\" d=\"M2441.56,-\n+00028020: 3130 352e 3131 4332 3336 382e 3331 2c2d  105.11C2368.31,-\n+00028030: 3133 372e 3831 2032 3136 322e 3835 2c2d  137.81 2162.85,-\n+00028040: 3232 392e 3533 2032 3038 322e 3635 2c2d  229.53 2082.65,-\n+00028050: 3236 352e 3334 222f 3e0a 3c70 6f6c 7967  265.34\"/>.<polyg\n+00028060: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00028070: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00028080: 3822 2070 6f69 6e74 733d 2232 3038 302e  8\" points=\"2080.\n+00028090: 3737 2c2d 3236 322e 3334 2032 3037 332e  77,-262.34 2073.\n+000280a0: 3037 2c2d 3236 392e 3632 2032 3038 332e  07,-269.62 2083.\n+000280b0: 3633 2c2d 3236 382e 3734 2032 3038 302e  63,-268.74 2080.\n+000280c0: 3737 2c2d 3236 322e 3334 222f 3e0a 3c2f  77,-262.34\"/>.</\n+000280d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000280e0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n+000280f0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n+00028100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00028110: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67  cs_fileio -->.<g\n+00028120: 2069 643d 2265 6467 6532 3738 2220 636c   id=\"edge278\" cl\n+00028130: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00028140: 6c65 3e6d 6f64 756c 655f 7372 635f 7072  le>module_src_pr\n+00028150: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573  ograms_mdrun_tes\n+00028160: 7473 2623 3435 3b26 6774 3b6d 6f64 756c  ts&#45;&gt;modul\n+00028170: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00028180: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n+00028190: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000281a0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+000281b0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+000281c0: 3d22 352c 3222 2064 3d22 4d32 3438 352e  =\"5,2\" d=\"M2485.\n+000281d0: 3236 2c2d 3130 352e 3632 4332 3532 302e  26,-105.62C2520.\n+000281e0: 3832 2c2d 3133 312e 3736 2032 3630 332e  82,-131.76 2603.\n+000281f0: 3032 2c2d 3139 362e 3236 2032 3635 322c  02,-196.26 2652,\n+00028200: 2d32 3637 2e34 3820 3237 3034 2e38 342c  -267.48 2704.84,\n+00028210: 2d33 3434 2e33 3120 3237 3132 2c2d 3337  -344.31 2712,-37\n+00028220: 352e 3238 2032 3731 322c 2d34 3638 2e35  5.28 2712,-468.5\n+00028230: 3320 3237 3132 2c2d 3635 392e 3134 2032  3 2712,-659.14 2\n+00028240: 3731 322c 2d36 3539 2e31 3420 3237 3132  712,-659.14 2712\n+00028250: 2c2d 3635 392e 3134 2032 3731 322c 2d38  ,-659.14 2712,-8\n+00028260: 3530 2e35 3320 3234 3738 2e31 342c 2d37  50.53 2478.14,-7\n+00028270: 3132 2e35 3520 3232 3838 2c2d 3733 342e  12.55 2288,-734.\n+00028280: 3434 2031 3935 322e 3732 2c2d 3737 332e  44 1952.72,-773.\n+00028290: 3034 2031 3534 332e 3934 2c2d 3738 302e  04 1543.94,-780.\n+000282a0: 3936 2031 3432 302e 3231 2c2d 3738 322e  96 1420.21,-782.\n+000282b0: 3531 222f 3e0a 3c70 6f6c 7967 6f6e 2066  51\"/>.<polygon f\n+000282c0: 696c 6c3d 2223 3263 6363 3238 2220 7374  ill=\"#2ccc28\" st\n+000282d0: 726f 6b65 3d22 2332 6363 6332 3822 2070  roke=\"#2ccc28\" p\n+000282e0: 6f69 6e74 733d 2231 3432 302e 3038 2c2d  oints=\"1420.08,-\n+000282f0: 3737 392e 3031 2031 3431 302e 3132 2c2d  779.01 1410.12,-\n+00028300: 3738 322e 3633 2031 3432 302e 3137 2c2d  782.63 1420.17,-\n+00028310: 3738 362e 3031 2031 3432 302e 3038 2c2d  786.01 1420.08,-\n+00028320: 3737 392e 3031 222f 3e0a 3c2f 673e 0a3c  779.01\"/>.</g>.<\n+00028330: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n+00028340: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n+00028350: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n+00028360: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+00028370: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22  wald -->.<g id=\"\n+00028380: 6564 6765 3238 3622 2063 6c61 7373 3d22  edge286\" class=\"\n+00028390: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000283a0: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n+000283b0: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n+000283c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000283d0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f  _gromacs_ewald</\n+000283e0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000283f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00028400: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+00028410: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00028420: 2064 3d22 4d32 3534 362e 3633 2c2d 3937   d=\"M2546.63,-97\n+00028430: 2e36 3643 3236 3133 2e34 322c 2d31 3033  .66C2613.42,-103\n+00028440: 2e31 3620 3237 3032 2e30 312c 2d31 3135  .16 2702.01,-115\n+00028450: 2e33 3220 3237 3235 2c2d 3134 312e 3734  .32 2725,-141.74\n+00028460: 2032 3734 342e 3432 2c2d 3136 342e 3036   2744.42,-164.06\n+00028470: 2032 3733 382e 3234 2c2d 3231 382e 3039   2738.24,-218.09\n+00028480: 2032 3732 382c 2d32 3331 2e34 3820 3235   2728,-231.48 25\n+00028490: 3938 2e34 382c 2d34 3030 2e38 3720 3234  98.48,-400.87 24\n+000284a0: 3735 2e39 2c2d 3332 352e 3739 2032 3236  75.9,-325.79 226\n+000284b0: 352c 2d33 3537 2e32 3220 3231 3039 2c2d  5,-357.22 2109,-\n+000284c0: 3338 302e 3437 2039 3536 2e35 382c 2d34  380.47 956.58,-4\n+000284d0: 3031 2e31 3120 3732 382e 3235 2c2d 3430  01.11 728.25,-40\n+000284e0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n+000284f0: 6c6c 3d22 2332 6363 6332 3822 2073 7472  ll=\"#2ccc28\" str\n+00028500: 6f6b 653d 2223 3263 6363 3238 2220 706f  oke=\"#2ccc28\" po\n+00028510: 696e 7473 3d22 3732 382e 3032 2c2d 3430  ints=\"728.02,-40\n+00028520: 312e 3520 3731 382e 3038 2c2d 3430 352e  1.5 718.08,-405.\n+00028530: 3137 2037 3238 2e31 342c 2d34 3038 2e35  17 728.14,-408.5\n+00028540: 2037 3238 2e30 322c 2d34 3031 2e35 222f   728.02,-401.5\"/\n+00028550: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c2f 7376  >.</g>.</g>.</sv\n+00028560: 673e 0a                                  g>.\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "unified_diff": "@@ -74,15 +74,15 @@\n </div><!-- top -->\n <div><div class=\"header\">\n   <div class=\"headertitle\"><div class=\"title\">Module dependency graph</div></div>\n </div><!--header-->\n <div class=\"contents\">\n <div class=\"textblock\"><p>The graph below shows the dependencies between the source code modules, computed from include statements in the code. For documented modules (those that do not have a gray background), clicking on the module takes you to the module documentation. Legend for the graph can be found below the graph.</p>\n <div class=\"dotgraph\">\n-<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"4048\" height=\"1630\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n+<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3662\" height=\"1796\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n  <h1><a class=\"anchor\" id=\"autotoc_md49\"></a>\n Legend</h1>\n <p>The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.</p>\n <div class=\"dotgraph\">\n <iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_inline_dotgraph_2.svg\" width=\"440\" height=\"407\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <p>Node colors: </p><dl>\n <dt>gray background </dt>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -263,29 +263,29 @@\n     ]],\n     ['matrix3x3constspan_165', ['Matrix3x3ConstSpan', ['../namespacegmx.xhtml#a589179a4042893247bfe78e630ee381f', 1, 'gmx']]],\n     ['matrix3x3span_166', ['Matrix3x3Span', ['../namespacegmx.xhtml#a42b7945e249b8dd5a00cd733e679c2a9', 1, 'gmx']]],\n     ['matrix3x3tostring_167', ['Matrix3x3ToString', ['../structgmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03_1_1Matrix3x3ToString.xhtml', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n     ['matrix_5f_168', ['matrix_', ['../structgmx_1_1MrcDensitySkewData.xhtml#a8341d52116450b5e201979b68356df03', 1, 'gmx::MrcDensitySkewData']]],\n     ['matrix_5fconvert_169', ['matrix_convert', ['../pbc_8cpp.xhtml#aec6c71950b4b9e1c90429eff68ea4168', 1, 'pbc.cpp']]],\n     ['matrixvectormultiply_170', ['matrixVectorMultiply', ['../namespacegmx.xhtml#a2f6cbfad1dad185c82ec9bee081833c5', 1, 'gmx']]],\n-    ['max_171', ['max', ['../classgmx_1_1ThreeFry2x64General.xhtml#a747866a072cff89a20b8f58621ae4bc5', 1, 'gmx::ThreeFry2x64General::max()'],\n+    ['max_171', ['max', ['../classgmx_1_1UniformRealDistribution.xhtml#abf888030231e57e8c412cecd63f70f78', 1, 'gmx::UniformRealDistribution::max()'],\n+        ['../namespacegmx.xhtml#a16f6bf4a20b14262f28168596d5bb8b9', 1, 'gmx::max()'],\n+        ['../classgmx_1_1UniformIntDistribution.xhtml#af3bf0caf1c448e8f298a0d2b60b34733', 1, 'gmx::UniformIntDistribution::max()'],\n+        ['../classgmx_1_1ThreeFry2x64General.xhtml#a747866a072cff89a20b8f58621ae4bc5', 1, 'gmx::ThreeFry2x64General::max()'],\n         ['../classgmx_1_1TabulatedNormalDistribution.xhtml#a445e2fab20c2f008fd972f5e96cd8b68', 1, 'gmx::TabulatedNormalDistribution::max()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#aba294339d0eec4d12a1019d24848f0b9', 1, 'gmx::NormalDistribution::max()'],\n         ['../classgmx_1_1GammaDistribution.xhtml#af043df37641bf3c31adc4b46164ef94c', 1, 'gmx::GammaDistribution::max()'],\n         ['../classgmx_1_1ExponentialDistribution.xhtml#a5db77b73c9d84977cd6a1e93427abb6b', 1, 'gmx::ExponentialDistribution::max()'],\n         ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#a41d9f565256e2af79951232a328ce054', 1, 'gmx::BoundingBox::Corner::max()'],\n-        ['../classgmx_1_1UniformIntDistribution.xhtml#af3bf0caf1c448e8f298a0d2b60b34733', 1, 'gmx::UniformIntDistribution::max()'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml#abf888030231e57e8c412cecd63f70f78', 1, 'gmx::UniformRealDistribution::max()'],\n-        ['../namespacegmx.xhtml#a16f6bf4a20b14262f28168596d5bb8b9', 1, 'gmx::max(double a, double b)'],\n-        ['../group__module__simd.xhtml#gaceb279f0a831efc0d8e6be7d96c9e6d2', 1, 'gmx::max(SimdDouble a, SimdDouble b)'],\n+        ['../group__module__simd.xhtml#ga68bbfb58d0ab7d2362d0efde15c14ca3', 1, 'gmx::max(Simd4Double a, Simd4Double b)'],\n+        ['../group__module__simd.xhtml#ga3c66081dde9666200461f364725a4085', 1, 'gmx::max(Simd4Float a, Simd4Float b)'],\n         ['../namespacegmx.xhtml#aa8475501c67be44a07c58f4aa43eed23', 1, 'gmx::max(const gmx::BasicVector&lt; float &gt; &amp;v1, const gmx::BasicVector&lt; float &gt; &amp;v2)'],\n+        ['../group__module__simd.xhtml#gaceb279f0a831efc0d8e6be7d96c9e6d2', 1, 'gmx::max(SimdDouble a, SimdDouble b)'],\n         ['../group__module__simd.xhtml#ga4edeef3c458f5c77cf3ceb80532a57ff', 1, 'gmx::max(SimdFloat a, SimdFloat b)'],\n-        ['../namespacegmx.xhtml#a35c7b010fbd32f5424afa0de0c70db6f', 1, 'gmx::max(float a, float b)'],\n-        ['../group__module__simd.xhtml#ga3c66081dde9666200461f364725a4085', 1, 'gmx::max(Simd4Float a, Simd4Float b)'],\n-        ['../group__module__simd.xhtml#ga68bbfb58d0ab7d2362d0efde15c14ca3', 1, 'gmx::max(Simd4Double a, Simd4Double b)']\n+        ['../namespacegmx.xhtml#a35c7b010fbd32f5424afa0de0c70db6f', 1, 'gmx::max(float a, float b)']\n     ]],\n     ['max_5f_172', ['max_', ['../structgmx_1_1MrcDataStatistics.xhtml#a3d4ebb4aee6f51e4383349225d3dee83', 1, 'gmx::MrcDataStatistics']]],\n     ['max_5fbeta_173', ['max_beta', ['../structgmx__enfrotgrp.xhtml#ac3907c78cd20eccc0e427c288bec058d', 1, 'gmx_enfrotgrp']]],\n     ['max_5fconnect_174', ['max_connect', ['../classgmx_1_1Lincs.xhtml#a7c26cd85abd23d06de22e27ee68af042', 1, 'gmx::Lincs']]],\n     ['max_5fcutoff2_175', ['max_cutoff2', ['../pbc_8cpp.xhtml#aa14c05a2e7b891ca9ce15895e75ff6db', 1, 'max_cutoff2():&#160;pbc.cpp'],\n         ['../structt__pbc.xhtml#a0648f104170187ab2a5656e7c16323d6', 1, 't_pbc::max_cutoff2']\n     ]],\n@@ -725,21 +725,21 @@\n     ['moleculeinformation_444', ['MoleculeInformation', ['../structMoleculeInformation.xhtml', 1, '']]],\n     ['moleculepatch_445', ['MoleculePatch', ['../structMoleculePatch.xhtml', 1, '']]],\n     ['moleculepatchdatabase_446', ['MoleculePatchDatabase', ['../structMoleculePatchDatabase.xhtml', 1, '']]],\n     ['moleculepatchtype_447', ['MoleculePatchType', ['../hackblock_8h.xhtml#ab96ef77f5bc6d24fdd272b55f5206016', 1, 'hackblock.h']]],\n     ['moleculesarewhole_448', ['MoleculesAreWhole', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9af6ea0d2701a81eb19f537c7c982b2fd8', 1, 'gmx']]],\n     ['moleculetype_449', ['moleculetype', ['../namespacegmx_1_1test_1_1anonymous__namespace_02mshift_8cpp_03.xhtml#ae9b5b921bcb8dd2b97cc0d6a14741216', 1, 'gmx::test::anonymous_namespace{mshift.cpp}::moleculeType()'],\n         ['../structAtomInMolblock.xhtml#adbd0c382ef27b472f0ad350a0142c809', 1, 'AtomInMolblock::moleculeType'],\n-        ['../structMoleculeType.xhtml', 1, 'MoleculeType'],\n+        ['../structMolecularTopologyAtomIndices.xhtml#ac033337827f14c4585e4b1ae9eb272e3', 1, 'MolecularTopologyAtomIndices::moleculeType'],\n         ['../classAtomProxy.xhtml#a82511a69b9b329f73b3ecaa77c7e5df0', 1, 'AtomProxy::moleculeType()'],\n-        ['../structMolecularTopologyAtomIndices.xhtml#ac033337827f14c4585e4b1ae9eb272e3', 1, 'MolecularTopologyAtomIndices::moleculeType']\n+        ['../structMoleculeType.xhtml', 1, 'MoleculeType']\n     ]],\n     ['molname_450', ['molname', ['../structswap__group.xhtml#a1133a26ad7fa6ffc6614b1a50127f47d', 1, 'swap_group']]],\n-    ['mols_451', ['mols', ['../structMoleculeInformation.xhtml#a945c507ad8f991d11901cb3fcce96487', 1, 'MoleculeInformation::mols'],\n-        ['../classgmx_1_1ImdSession_1_1Impl.xhtml#ab3aac1e190ed353a1e717fa5fa60b61a', 1, 'gmx::ImdSession::Impl::mols']\n+    ['mols_451', ['mols', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#ab3aac1e190ed353a1e717fa5fa60b61a', 1, 'gmx::ImdSession::Impl::mols'],\n+        ['../structMoleculeInformation.xhtml#a945c507ad8f991d11901cb3fcce96487', 1, 'MoleculeInformation::mols']\n     ]],\n     ['moltypehasvsite_452', ['moltypeHasVsite', ['../computemultibodycutoffs_8cpp.xhtml#a7759c5f444a2540620bd7aed6b99577a', 1, 'computemultibodycutoffs.cpp']]],\n     ['momentum_453', ['momentum', ['../structSystemMomentum.xhtml#a12a78f8e5157ad1e319366a2e4bebc1c', 1, 'SystemMomentum']]],\n     ['momentumfullstep_454', ['momentumFullStep', ['../structSystemMomenta.xhtml#ab8b254f7b2e18c4c7377bf444edad356', 1, 'SystemMomenta']]],\n     ['momentumhalfstep_455', ['momentumHalfStep', ['../structSystemMomenta.xhtml#aa8d185ac5f2bc0357cb2065c31ebaa25', 1, 'SystemMomenta']]],\n     ['momentumoldhalfstep_456', ['momentumOldHalfStep', ['../structSystemMomenta.xhtml#af9444ab09b89450b547c049d37cf052e', 1, 'SystemMomenta']]],\n     ['mon_457', ['mon', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__edvecs.xhtml#a09f4fe90ebb817228b3fb0824e790530', 1, 'anonymous_namespace{edsam.cpp}::t_edvecs']]],\n@@ -763,23 +763,23 @@\n     ['mpicommall_475', ['mpicommall', ['../classgmx_1_1DomainCommForward.xhtml#acca96094d4f43e2ae83ec208f1b99e88', 1, 'gmx::DomainCommForward::mpiCommAll()'],\n         ['../classgmx_1_1DomainCommBackward.xhtml#ac550edb7920c56ccd8caf801c68cb054', 1, 'gmx::DomainCommBackward::mpiCommAll()']\n     ]],\n     ['mpicommx_476', ['mpiCommX', ['../structPmeShared.xhtml#a4a18c130ef148fbaca140a4a47411227', 1, 'PmeShared']]],\n     ['mpicommy_477', ['mpiCommY', ['../structPmeShared.xhtml#ad622e2d0e19fc94d173231cd03e72afe', 1, 'PmeShared']]],\n     ['mpilibraryversionstring_478', ['mpiLibraryVersionString', ['../namespacegmx.xhtml#a49c75db6d97651626c88f9f23f4bffaa', 1, 'gmx']]],\n     ['mpisetupvalid_479', ['mpiSetupValid', ['../classgmx_1_1test_1_1MultiSimTest.xhtml#aed91522d2a8bd6ddc44d716a07ed6a07', 1, 'gmx::test::MultiSimTest']]],\n-    ['mpitest_2ecpp_480', ['mpitest.cpp', ['../mpitest_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2mpitest_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mpitest_2ecpp_480', ['mpitest.cpp', ['../tests_2mpitest_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../mpitest_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mpitest_2eh_481', ['mpitest.h', ['../mpitest_8h.xhtml', 1, '']]],\n     ['mpiwaitall_482', ['mpiWaitall', ['../namespacegmx_1_1anonymous__namespace_02haloexchange_8cpp_03.xhtml#a6cc9ed97595c08f467311956380390ad', 1, 'gmx::anonymous_namespace{haloexchange.cpp}']]],\n     ['mrcdatamode_483', ['MrcDataMode', ['../namespacegmx.xhtml#a4355a7e0f393d42cbb5b2a47aefea966', 1, 'gmx']]],\n     ['mrcdatastatistics_484', ['MrcDataStatistics', ['../structgmx_1_1MrcDataStatistics.xhtml', 1, 'gmx']]],\n-    ['mrcdensitymap_2ecpp_485', ['mrcdensitymap.cpp', ['../tests_2mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mrcdensitymap_2ecpp_485', ['mrcdensitymap.cpp', ['../mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymap_2eh_486', ['mrcdensitymap.h', ['../mrcdensitymap_8h.xhtml', 1, '']]],\n     ['mrcdensitymapheader_487', ['MrcDensityMapHeader', ['../structgmx_1_1MrcDensityMapHeader.xhtml', 1, 'gmx']]],\n     ['mrcdensitymapheader_2ecpp_488', ['mrcdensitymapheader.cpp', ['../tests_2mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymapheader_2eh_489', ['mrcdensitymapheader.h', ['../mrcdensitymapheader_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -444,28 +444,28 @@\n     ]],\n     ['nnpottopologypreprocessor_2ecpp_297', ['nnpottopologypreprocessor.cpp', ['../nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpottopologypreprocessor_2eh_298', ['nnpottopologypreprocessor.h', ['../nnpottopologypreprocessor_8h.xhtml', 1, '']]],\n     ['nnpottopologypreprocessortest_299', ['NNPotTopologyPreprocessorTest', ['../classgmx_1_1test_1_1NNPotTopologyPreprocessorTest.xhtml', 1, 'gmx::test']]],\n     ['nnstl_300', ['NNSTL', ['../pairlist__tuning_8cpp.xhtml#aa7bb25f96f0e989b4b7c45d407a1b63c', 1, 'pairlist_tuning.cpp']]],\n-    ['no_301', ['no', ['../md__enums_8h.xhtml#a7f23540ff5222f8735be151f3cbd1b2fabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n-        ['../md__enums_8h.xhtml#a07be3f2d86a9b6337ff8c4853a0fb8b8abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n-        ['../md__enums_8h.xhtml#a4434e158af47f6a5cbc228465ade1511abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n-        ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n-        ['../namespacegmx.xhtml#abb4f062823c006fc233c4b4bcb0119ecabafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+    ['no_301', ['no', ['../group__module__modularsimulator.xhtml#gga5c5a9708579f420d64688aaea88c2885abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n         ['../namespacegmx.xhtml#ab1684f724061fbe3bfdd1efde3e715e7abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n-        ['../group__module__modularsimulator.xhtml#gga5c5a9708579f420d64688aaea88c2885abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+        ['../namespacegmx.xhtml#abb4f062823c006fc233c4b4bcb0119ecabafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+        ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+        ['../md__enums_8h.xhtml#a4434e158af47f6a5cbc228465ade1511abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+        ['../md__enums_8h.xhtml#a07be3f2d86a9b6337ff8c4853a0fb8b8abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+        ['../md__enums_8h.xhtml#a7f23540ff5222f8735be151f3cbd1b2fabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+        ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n         ['../namespacegmx.xhtml#a65a4da1c9de2e9bed752f8b8a3f9f536abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n         ['../namespacegmx.xhtml#af2ca01657023e02580baaaf0c011a60ca7fa3b767c460b54a2be4d49030b349c7', 1, 'gmx::no'],\n         ['../dlbtiming_8h.xhtml#a187697058dfa34f355e4ee2e8fcf1dc1a7fa3b767c460b54a2be4d49030b349c7', 1, 'no:&#160;dlbtiming.h'],\n         ['../dlbtiming_8h.xhtml#a4c394e83d3a1d89ac14e90553e54dff4a7fa3b767c460b54a2be4d49030b349c7', 1, 'no:&#160;dlbtiming.h'],\n         ['../classgmx_1_1BiasParams.xhtml#a6e4efe51c269090a20241639f64bcb03a7fa3b767c460b54a2be4d49030b349c7', 1, 'gmx::BiasParams::no'],\n-        ['../classgmx_1_1Bias.xhtml#aa82610508a501aa57b8b5be5054920f2abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::Bias::No'],\n-        ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h']\n+        ['../classgmx_1_1Bias.xhtml#aa82610508a501aa57b8b5be5054920f2abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::Bias::No']\n     ]],\n     ['no_5fdelete_302', ['no_delete', ['../structgmx_1_1no__delete.xhtml', 1, 'gmx']]],\n     ['no_5fvalue_303', ['NO_VALUE', ['../selvalue_8h.xhtml#a70b42b87d434580bf1493591857b8beca4d694119ce83b62d74ff06b5e017dca8', 1, 'selvalue.h']]],\n     ['noappending_304', ['NoAppending', ['../namespacegmx.xhtml#afd6f3326407d61e4364f4bfeeebe5f03a95924eff082d0bc6529c77794edce7c8', 1, 'gmx']]],\n     ['nocallparameter_305', ['NoCallParameter', ['../classgmx_1_1BuildMDModulesNotifier_3_4_1_1NoCallParameter.xhtml', 1, 'gmx::BuildMDModulesNotifier&lt;&gt;']]],\n     ['nocontentsmatch_306', ['NoContentsMatch', ['../classgmx_1_1test_1_1NoContentsMatch.xhtml', 1, 'gmx::test']]],\n     ['nodeid_307', ['nodeid', ['../structPmeShared.xhtml#a3cb7f7f195edc383281687d9eb107973', 1, 'PmeShared']]],\n@@ -474,16 +474,16 @@\n     ['nodelete_2eh_310', ['nodelete.h', ['../nodelete_8h.xhtml', 1, '']]],\n     ['nodes_311', ['nodes', ['../structgmx_1_1HardwareTopology_1_1Numa.xhtml#a09d015a6bc89da23f7152cbc5495a460', 1, 'gmx::HardwareTopology::Numa']]],\n     ['noguarantee_312', ['NoGuarantee', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9ab1f3d3b15c2fba228004f1fbda97ad53', 1, 'gmx']]],\n     ['non_20bonded_20algorithm_313', ['The NxM atom-cluster non-bonded algorithm', ['../page_nbnxm.xhtml', 1, 'index']]],\n     ['non_20bonded_20interaction_20module_314', ['Short-range non-bonded interaction module', ['../group______module__nbnxm.xhtml', 1, '']]],\n     ['non_20bonded_20pair_20interactions_315', ['Non-bonded pair interactions', ['../group__module__nbnxm.xhtml', 1, '']]],\n     ['non_20mdp_20option_20module_20parameters_316', ['Storing non-mdp option module parameters', ['../page_mdmodules.xhtml#autotoc_md7', 1, '']]],\n-    ['nonbonded_317', ['nonbonded', ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded'],\n-        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded']\n+    ['nonbonded_317', ['nonbonded', ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded'],\n+        ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded']\n     ]],\n     ['nonbonded_5fbench_2ecpp_318', ['nonbonded_bench.cpp', ['../nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nonbonded_5fbench_2eh_319', ['nonbonded_bench.h', ['../nonbonded__bench_8h.xhtml', 1, '']]],\n     ['nonbonded_5fverlet_5ft_320', ['nonbonded_verlet_t', ['../structgmx_1_1nonbonded__verlet__t.xhtml#ab52ad7395380f5bd86727743c6d916a5', 1, 'gmx::nonbonded_verlet_t::nonbonded_verlet_t(std::unique_ptr&lt; PairlistSets &gt; pairlistSets, std::unique_ptr&lt; PairSearch &gt; pairSearch, std::unique_ptr&lt; nbnxn_atomdata_t &gt; nbat, const NbnxmKernelSetup &amp;kernelSetup, std::unique_ptr&lt; ExclusionChecker &gt; exclusionChecker, NbnxmGpu *gpu_nbv, gmx_wallcycle *wcycle)'],\n         ['../structgmx_1_1nonbonded__verlet__t.xhtml#a674a2426156a932ffe11dea93d5d70bf', 1, 'gmx::nonbonded_verlet_t::nonbonded_verlet_t(std::unique_ptr&lt; PairlistSets &gt; pairlistSets, std::unique_ptr&lt; PairSearch &gt; pairSearch, std::unique_ptr&lt; nbnxn_atomdata_t &gt; nbat, const NbnxmKernelSetup &amp;kernelSetup, NbnxmGpu *gpu_nbv)'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -413,62 +413,62 @@\n         ['../structgmx_1_1nbnxn__cj__packed__t.xhtml#a9befbd81dc0c6814336361777c4a484b', 1, 'gmx::nbnxn_cj_packed_t::operator==()'],\n         ['../structgmx_1_1nbnxn__excl__t.xhtml#acedfd5c8e267cbe17c0f44a0c09b7f33', 1, 'gmx::nbnxn_excl_t::operator==()'],\n         ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml#aa8c58085db22f33906ea7610d629bc1e', 1, 'gmx::ExponentialDistribution::param_type::operator==()'],\n         ['../classgmx_1_1ExponentialDistribution.xhtml#a861d380456f3de070590091bcfa9c450', 1, 'gmx::ExponentialDistribution::operator==()'],\n         ['../classAtomIterator.xhtml#a131019b7785b19c5441332d1db5b53c1', 1, 'AtomIterator::operator==()'],\n         ['../classgmx_1_1GammaDistribution.xhtml#a8c16fff1f566e551eed4c120796d1b4d', 1, 'gmx::GammaDistribution::operator==()'],\n         ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#adce250aa91a8e661eeb251cd870bc721', 1, 'gmx::NormalDistribution::param_type::operator==()'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml#a8e84daaa940cc3848999e435e69a5c25', 1, 'gmx::UniformRealDistribution::operator==()'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a51e148261d27165d5999d24b1efa7d29', 1, 'gmx::UniformRealDistribution::param_type::operator==()'],\n-        ['../classgmx_1_1UniformIntDistribution.xhtml#ad4fcfc7ee9414785a066f05c6592d20e', 1, 'gmx::UniformIntDistribution::operator==()'],\n-        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a9326cd205dd093e9d6fc22aa590348d3', 1, 'gmx::UniformIntDistribution::param_type::operator==()'],\n-        ['../classgmx_1_1ThreeFry2x64General.xhtml#abdd84b4ad2be63bab6281d334a52b8f4', 1, 'gmx::ThreeFry2x64General::operator==()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ab4eceef543b7c7870a20aa540c4ee14f', 1, 'gmx::TabulatedNormalDistribution::operator==()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#aaa3b31154447ead4f82a4f703cbbb72e', 1, 'gmx::NormalDistribution::operator==()'],\n+        ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ab4eceef543b7c7870a20aa540c4ee14f', 1, 'gmx::TabulatedNormalDistribution::operator==()'],\n+        ['../classgmx_1_1ThreeFry2x64General.xhtml#abdd84b4ad2be63bab6281d334a52b8f4', 1, 'gmx::ThreeFry2x64General::operator==()'],\n+        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a9326cd205dd093e9d6fc22aa590348d3', 1, 'gmx::UniformIntDistribution::param_type::operator==()'],\n+        ['../classgmx_1_1UniformIntDistribution.xhtml#ad4fcfc7ee9414785a066f05c6592d20e', 1, 'gmx::UniformIntDistribution::operator==()'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a51e148261d27165d5999d24b1efa7d29', 1, 'gmx::UniformRealDistribution::param_type::operator==()'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#a8e84daaa940cc3848999e435e69a5c25', 1, 'gmx::UniformRealDistribution::operator==()'],\n         ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#a59e459feab609adf418f245fe3306fe3', 1, 'gmx::SelectionParserSymbolIterator::operator==()']\n     ]],\n-    ['operator_5b_5d_133', ['operator[]', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdData.xhtml#ac8c1e5cf4bc31bc59fbe02e1e3e0020f', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdData::operator[]()'],\n+    ['operator_5b_5d_133', ['operator[]', ['../classgmx_1_1FixedCapacityVector.xhtml#ac695b3695422899aa106a748f2242166', 1, 'gmx::FixedCapacityVector::operator[]()'],\n+        ['../classgmx_1_1ListOfLists.xhtml#acd74b039aaea684b78fc368d2b0bb289', 1, 'gmx::ListOfLists::operator[]()'],\n         ['../structgmx_1_1EnumerationArray.xhtml#a19f0ee284d558c5158a392189af41237', 1, 'gmx::EnumerationArray::operator[]()'],\n         ['../classgmx_1_1ArrayRef.xhtml#ae5992e7e6c407d5f8fb0c08dd314b303', 1, 'gmx::ArrayRef::operator[]()'],\n         ['../classStringTable.xhtml#ad323be1b121601515ed9af457ec5ddcc', 1, 'StringTable::operator[]()'],\n         ['../classgmx_1_1BasicVector.xhtml#a1f32a1ba41548841b6696001d14ff278', 1, 'gmx::BasicVector::operator[](int i) const'],\n         ['../classgmx_1_1BasicVector.xhtml#a1c8a8588a9e93f68dba743c0cb9e18af', 1, 'gmx::BasicVector::operator[](int i)'],\n         ['../classgmx_1_1KeyValueTreeObjectBuilder.xhtml#afcfc3b3506eb1e6d13bfb6e689c27ea0', 1, 'gmx::KeyValueTreeObjectBuilder::operator[]()'],\n         ['../classgmx_1_1KeyValueTreePath.xhtml#a62cf97a0ac5b6cbc7af9888ed59e0f85', 1, 'gmx::KeyValueTreePath::operator[]()'],\n-        ['../classgmx_1_1FixedCapacityVector.xhtml#a25ced2077a500cd5614846ad603a52a9', 1, 'gmx::FixedCapacityVector::operator[](size_type n) noexcept'],\n-        ['../classgmx_1_1FixedCapacityVector.xhtml#ac695b3695422899aa106a748f2242166', 1, 'gmx::FixedCapacityVector::operator[](size_type n) const noexcept'],\n+        ['../classgmx_1_1FixedCapacityVector.xhtml#a25ced2077a500cd5614846ad603a52a9', 1, 'gmx::FixedCapacityVector::operator[]()'],\n+        ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdData.xhtml#ac8c1e5cf4bc31bc59fbe02e1e3e0020f', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdData::operator[]()'],\n         ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a9d827cc183213269fd50ded567b814c9', 1, 'gmx::internal::SimdArrayRef::operator[]()'],\n         ['../classgmx_1_1basic__mdspan.xhtml#abfb92b8c8080a27aa05100195f8cad65', 1, 'gmx::basic_mdspan::operator[](const IndexType index) const noexcept'],\n         ['../classgmx_1_1basic__mdspan.xhtml#adba2c0279184c7c51724dce1b5ba53f8', 1, 'gmx::basic_mdspan::operator[](const IndexType &amp;i) const noexcept'],\n         ['../classgmx_1_1PaddedVector.xhtml#aa4af8a957abb5d0c28a321c3b712a2c7', 1, 'gmx::PaddedVector::operator[](int i) const'],\n-        ['../classgmx_1_1PaddedVector.xhtml#afdbd0a9199b2b06faf9039a172b7a76e', 1, 'gmx::PaddedVector::operator[](int i)'],\n-        ['../classgmx_1_1ListOfLists.xhtml#acd74b039aaea684b78fc368d2b0bb289', 1, 'gmx::ListOfLists::operator[]()']\n+        ['../classgmx_1_1PaddedVector.xhtml#afdbd0a9199b2b06faf9039a172b7a76e', 1, 'gmx::PaddedVector::operator[](int i)']\n     ]],\n     ['operator_5e_134', ['operator^', ['../group__module__simd.xhtml#ga8385ef4b8312eff3f715d2f817604e51', 1, 'gmx::operator^(Simd4Float a, Simd4Float b)'],\n-        ['../group__module__simd.xhtml#ga37544015fbce9d2b11dce07e159e878b', 1, 'gmx::operator^(SimdFloat a, SimdFloat b)'],\n         ['../group__module__simd.xhtml#gad65f7d7aa6d2a6c4b697ac0be0f3a616', 1, 'gmx::operator^(SimdDouble a, SimdDouble b)'],\n+        ['../group__module__simd.xhtml#gabb7e81f2ef83cfb9aaae088c8762c2b0', 1, 'gmx::operator^(SimdFInt32 a, SimdFInt32 b)'],\n         ['../group__module__simd.xhtml#gaba7ccd2477ecf6b07f5b7696d9490038', 1, 'gmx::operator^(SimdDInt32 a, SimdDInt32 b)'],\n-        ['../group__module__simd.xhtml#gaad7bb7baf5edd91a8707584c9cdc086e', 1, 'gmx::operator^(Simd4Double a, Simd4Double b)'],\n-        ['../group__module__simd.xhtml#gabb7e81f2ef83cfb9aaae088c8762c2b0', 1, 'gmx::operator^(SimdFInt32 a, SimdFInt32 b)']\n+        ['../group__module__simd.xhtml#ga37544015fbce9d2b11dce07e159e878b', 1, 'gmx::operator^(SimdFloat a, SimdFloat b)'],\n+        ['../group__module__simd.xhtml#gaad7bb7baf5edd91a8707584c9cdc086e', 1, 'gmx::operator^(Simd4Double a, Simd4Double b)']\n     ]],\n-    ['operator_7c_135', ['operator|', ['../group__module__simd.xhtml#ga69973d1808eb0e8e60715d3abf01cd22', 1, 'gmx::operator|(SimdFloat a, SimdFloat b)'],\n+    ['operator_7c_135', ['operator|', ['../group__module__simd.xhtml#gabcaa9a287c021ad7e3507311ffe23497', 1, 'gmx::operator|(Simd4Double a, Simd4Double b)'],\n         ['../group__module__simd.xhtml#gad759e852213903c61d6d4b9053e794fc', 1, 'gmx::operator|(Simd4Float a, Simd4Float b)'],\n         ['../group__module__simd.xhtml#ga72cbfbcd5395b355e242f2ef4284f5c5', 1, 'gmx::operator|(SimdDouble a, SimdDouble b)'],\n         ['../group__module__simd.xhtml#ga65d3eb9cd43b33b4665dfe676c0e79d2', 1, 'gmx::operator|(SimdDInt32 a, SimdDInt32 b)'],\n-        ['../group__module__simd.xhtml#gabcaa9a287c021ad7e3507311ffe23497', 1, 'gmx::operator|(Simd4Double a, Simd4Double b)'],\n-        ['../group__module__simd.xhtml#gaf6f2042babc63e1b20b08ed61d859f74', 1, 'gmx::operator|(SimdFInt32 a, SimdFInt32 b)'],\n-        ['../classgmx_1_1FlagsTemplate.xhtml#a3320b083043b67b957a2a0f0d7afc331', 1, 'gmx::FlagsTemplate::operator|(const FlagsTemplate&lt; FlagType &gt; &amp;other) const']\n+        ['../classgmx_1_1FlagsTemplate.xhtml#a3320b083043b67b957a2a0f0d7afc331', 1, 'gmx::FlagsTemplate::operator|()'],\n+        ['../group__module__simd.xhtml#ga69973d1808eb0e8e60715d3abf01cd22', 1, 'gmx::operator|(SimdFloat a, SimdFloat b)'],\n+        ['../group__module__simd.xhtml#gaf6f2042babc63e1b20b08ed61d859f74', 1, 'gmx::operator|(SimdFInt32 a, SimdFInt32 b)']\n     ]],\n     ['operator_7c_3d_136', ['operator|=', ['../classgmx_1_1FlagsTemplate.xhtml#ae042cf7992ac906cf26a15a08708b779', 1, 'gmx::FlagsTemplate']]],\n-    ['operator_7c_7c_137', ['operator||', ['../group__module__simd.xhtml#ga5d5483d15fe15e3c3eaf1e4e90e53f90', 1, 'gmx::operator||(Simd4DBool a, Simd4DBool b)'],\n+    ['operator_7c_7c_137', ['operator||', ['../group__module__simd.xhtml#gab7b197309edc60323a129fa9620a7400', 1, 'gmx::operator||(SimdFIBool a, SimdFIBool b)'],\n+        ['../group__module__simd.xhtml#ga5d5483d15fe15e3c3eaf1e4e90e53f90', 1, 'gmx::operator||(Simd4DBool a, Simd4DBool b)'],\n         ['../group__module__simd.xhtml#gaf2ab4b4f3d3e7f6e9a012df64c1d9f3c', 1, 'gmx::operator||(Simd4FBool a, Simd4FBool b)'],\n         ['../group__module__simd.xhtml#gad1da27c5bc4fd40afe78810c7b6e0730', 1, 'gmx::operator||(SimdDBool a, SimdDBool b)'],\n         ['../group__module__simd.xhtml#ga2382ca9a262a0503bb5dcfcec09df671', 1, 'gmx::operator||(SimdDIBool a, SimdDIBool b)'],\n-        ['../group__module__simd.xhtml#ga5595db8a2c813f0ae078285a1b6b8bd3', 1, 'gmx::operator||(SimdFBool a, SimdFBool b)'],\n-        ['../group__module__simd.xhtml#gab7b197309edc60323a129fa9620a7400', 1, 'gmx::operator||(SimdFIBool a, SimdFIBool b)']\n+        ['../group__module__simd.xhtml#ga5595db8a2c813f0ae078285a1b6b8bd3', 1, 'gmx::operator||(SimdFBool a, SimdFBool b)']\n     ]],\n     ['operator_7e_138', ['operator~', ['../classgmx_1_1FlagsTemplate.xhtml#a38267207d85020c70e257cd26f526077', 1, 'gmx::FlagsTemplate']]],\n     ['opt_139', ['opt', ['../structt__filenm.xhtml#ae5882b5fc5beeb495f11a2e9307c64aa', 1, 't_filenm']]],\n     ['opt2bset_140', ['opt2bset', ['../group__module__commandline.xhtml#gaeeff60cfe846f34b5f2c29d786bf125c', 1, 'opt2bSet(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp'],\n         ['../group__module__commandline.xhtml#gaeeff60cfe846f34b5f2c29d786bf125c', 1, 'opt2bSet(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp']\n     ]],\n     ['opt2file_141', ['opt2FILE', ['../group__module__commandline.xhtml#gab26cf759c91577b19db7e87b2922d1b9', 1, 'filenm.h']]],\n@@ -510,74 +510,74 @@\n         ['../tests_2optimization_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['optimization_2eh_155', ['optimization.h', ['../optimization_8h.xhtml', 1, '']]],\n     ['optimize_5farithmetic_5fexpressions_156', ['optimize_arithmetic_expressions', ['../compiler_8cpp.xhtml#aa22e901f96e3edaa72c2e222ed75bd01', 1, 'compiler.cpp']]],\n     ['optimize_5fboolean_5fexpressions_157', ['optimize_boolean_expressions', ['../compiler_8cpp.xhtml#aaf983339164e05e4e7319e88683ca6d6', 1, 'compiler.cpp']]],\n     ['optimize_5fsurface_5fpoints_158', ['optimize_surface_points', ['../sm__insolidangle_8cpp.xhtml#aadef1b206fd479d83a526a388faa275e', 1, 'sm_insolidangle.cpp']]],\n     ['optimizeddcells_159', ['optimizeDDCells', ['../domdec__setup_8cpp.xhtml#a0116fb195a0ff21854f683c3d8676b5a', 1, 'domdec_setup.cpp']]],\n-    ['option_160', ['option', ['../classgmx_1_1OptionInfo.xhtml#adc99ae3c6896ed469ae9a4aff7423cd9', 1, 'gmx::OptionInfo::option() const'],\n+    ['option_160', ['option', ['../structt__pargs.xhtml#a11d53770ae18dbb0a0320c925b4ebc35', 1, 't_pargs::option'],\n         ['../classgmx_1_1OptionInfo.xhtml#a1ec4a05fce3bfa125c320dd8e0cfc604', 1, 'gmx::OptionInfo::option()'],\n-        ['../structt__pargs.xhtml#a11d53770ae18dbb0a0320c925b4ebc35', 1, 't_pargs::option']\n+        ['../classgmx_1_1OptionInfo.xhtml#adc99ae3c6896ed469ae9a4aff7423cd9', 1, 'gmx::OptionInfo::option() const']\n     ]],\n     ['option_20module_20parameters_161', ['Storing non-mdp option module parameters', ['../page_mdmodules.xhtml#autotoc_md7', 1, '']]],\n     ['option_2ecpp_162', ['option.cpp', ['../option_8cpp.xhtml', 1, '']]],\n     ['optionfiletype_163', ['OptionFileType', ['../group__module__options.xhtml#ga322a6d38e527f46b273c08583a31665d', 1, 'gmx']]],\n     ['optionfiletype_2eh_164', ['optionfiletype.h', ['../optionfiletype_8h.xhtml', 1, '']]],\n     ['optionflag_165', ['OptionFlag', ['../namespacegmx.xhtml#ad86fc7354045be1e1456c019b8f97c25', 1, 'gmx']]],\n     ['optionflags_166', ['OptionFlags', ['../namespacegmx.xhtml#a0b60cc84dcdf372e00a5084712630993', 1, 'gmx']]],\n     ['optionflags_2eh_167', ['optionflags.h', ['../optionflags_8h.xhtml', 1, '']]],\n-    ['optioninfo_168', ['optioninfo', ['../classgmx_1_1OptionInfo.xhtml', 1, 'gmx::OptionInfo'],\n+    ['optioninfo_168', ['optioninfo', ['../classgmx_1_1StringOptionStorage.xhtml#adfec3df516810853d338d2a19f3082cb', 1, 'gmx::StringOptionStorage::optionInfo()'],\n         ['../classgmx_1_1OptionInfo.xhtml#a28702d9e5916402f81fe48c541a260bc', 1, 'gmx::OptionInfo::OptionInfo()'],\n         ['../classgmx_1_1SelectionOptionStorage.xhtml#a92005e65992f933cee89ac8e73364c26', 1, 'gmx::SelectionOptionStorage::optionInfo()'],\n         ['../classgmx_1_1SelectionFileOptionStorage.xhtml#ae7e23ab9895809f8529112419a0d6868', 1, 'gmx::SelectionFileOptionStorage::optionInfo()'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a7d87e123198297afec33a2f9e047afea', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::optionInfo()'],\n         ['../classgmx_1_1FileNameOptionStorage.xhtml#ac565fab34f14163b1e8591c73b13179b', 1, 'gmx::FileNameOptionStorage::optionInfo()'],\n         ['../classgmx_1_1EnumOptionStorage.xhtml#adbdf1a9b814e0e4ce1d33726c51c3527', 1, 'gmx::EnumOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1StringOptionStorage.xhtml#adfec3df516810853d338d2a19f3082cb', 1, 'gmx::StringOptionStorage::optionInfo()'],\n         ['../classgmx_1_1FloatOptionStorage.xhtml#a22c2a72cd49b6566794868f635f363fb', 1, 'gmx::FloatOptionStorage::optionInfo()'],\n         ['../classgmx_1_1DoubleOptionStorage.xhtml#a6a468029afea3a69795399893e9c9e61', 1, 'gmx::DoubleOptionStorage::optionInfo()'],\n         ['../classgmx_1_1Int64OptionStorage.xhtml#a3b575c5b59217bd0f94ff8a44aa1c9b5', 1, 'gmx::Int64OptionStorage::optionInfo()'],\n         ['../classgmx_1_1IntegerOptionStorage.xhtml#a51929f25babbe05a1b8829acd081702a', 1, 'gmx::IntegerOptionStorage::optionInfo()'],\n         ['../classgmx_1_1BooleanOptionStorage.xhtml#a6dcd9cecae230e1d8f9551d329fb6fbc', 1, 'gmx::BooleanOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1AbstractOptionStorage.xhtml#a14a9360077f79b7c0f768260fa807796', 1, 'gmx::AbstractOptionStorage::optionInfo()']\n+        ['../classgmx_1_1AbstractOptionStorage.xhtml#a14a9360077f79b7c0f768260fa807796', 1, 'gmx::AbstractOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1OptionInfo.xhtml', 1, 'gmx::OptionInfo']\n     ]],\n-    ['optionlist_169', ['optionlist', ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#abd2f04d3b754c9be06639ee28a16e0e7', 1, 'gmx::internal::OptionSectionImpl::Group::OptionList'],\n-        ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a9bcab8534a29f710047bfcccba220da1', 1, 'gmx::SelectionOptionManager::Impl::OptionList']\n+    ['optionlist_169', ['optionlist', ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a9bcab8534a29f710047bfcccba220da1', 1, 'gmx::SelectionOptionManager::Impl::OptionList'],\n+        ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#abd2f04d3b754c9be06639ee28a16e0e7', 1, 'gmx::internal::OptionSectionImpl::Group::OptionList']\n     ]],\n     ['optionmanagercontainer_170', ['OptionManagerContainer', ['../classgmx_1_1OptionManagerContainer.xhtml', 1, 'gmx']]],\n     ['optionmanagercontainer_2eh_171', ['optionmanagercontainer.h', ['../optionmanagercontainer_8h.xhtml', 1, '']]],\n     ['optionmap_172', ['OptionMap', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#aa8de9d9b14647ede508a45dfb7ebbd22', 1, 'gmx::internal::OptionSectionImpl']]],\n     ['optionmap_5f_173', ['optionMap_', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#aec29c46247eccc69f7ffa3f5c9cebed4', 1, 'gmx::internal::OptionSectionImpl']]],\n     ['options_174', ['options', ['../page_trajectoryanalysisframework.xhtml#section_trajectoryanalysisframework_options', 1, 'Input options'],\n         ['../page_energyanalysisframework.xhtml#section_energyanalysisframework_options', 1, 'Input options'],\n         ['../page_analysistemplate.xhtml#autotoc_md83', 1, 'Input options'],\n         ['../classgmx__reverse__top__t.xhtml#a1784e4b777f6805ec9e792f04fa2b78a', 1, 'gmx_reverse_top_t::options()'],\n-        ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#af6fe6e0a4bd11c13b7f64e60dfe59c2b', 1, 'gmx::CommandLineCommonOptionsHolder::options()'],\n+        ['../classgmx_1_1Options.xhtml', 1, 'gmx::Options'],\n         ['../classgmx_1_1Options.xhtml#a488515445eb8fd101a43b1903e64bdbf', 1, 'gmx::Options::Options()'],\n-        ['../classgmx_1_1Options.xhtml', 1, 'gmx::Options']\n+        ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#af6fe6e0a4bd11c13b7f64e60dfe59c2b', 1, 'gmx::CommandLineCommonOptionsHolder::options()']\n     ]],\n     ['options_20options_175', ['Extensible Handling of Options (options)', ['../group__module__options.xhtml', 1, '']]],\n     ['options_2ecpp_176', ['options.cpp', ['../options_8cpp.xhtml', 1, '']]],\n-    ['options_2eh_177', ['options.h', ['../api_2legacy_2include_2gromacs_2options_2options_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../src_2gromacs_2domdec_2options_8h.xhtml', 1, '(Global Namespace)']\n+    ['options_2eh_177', ['options.h', ['../src_2gromacs_2domdec_2options_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../api_2legacy_2include_2gromacs_2options_2options_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['options_5f_178', ['options_', ['../classgmx_1_1test_1_1FlagTest.xhtml#af80844cb3a58c500effbefef505aab8b', 1, 'gmx::test::FlagTest::options_'],\n-        ['../classgmx_1_1DomainDecompositionBuilder_1_1Impl.xhtml#a461bcb33bd4d0aed73b9a02f46963ba4', 1, 'gmx::DomainDecompositionBuilder::Impl::options_'],\n-        ['../classgmx_1_1CommandLineHelpWriter_1_1Impl.xhtml#a9baa833f1ccfd071e838765eb5de135e', 1, 'gmx::CommandLineHelpWriter::Impl::options_'],\n-        ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#aa0b581c60a66865d20e59c0b7734729c', 1, 'gmx::internal::OptionSectionImpl::Group::options_'],\n+    ['options_5f_178', ['options_', ['../classgmx_1_1DomainDecompositionBuilder_1_1Impl.xhtml#a461bcb33bd4d0aed73b9a02f46963ba4', 1, 'gmx::DomainDecompositionBuilder::Impl::options_'],\n+        ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a82e46f05bb9b7b80b013b6c614089228', 1, 'gmx::SelectionOptionManager::Impl::options_'],\n         ['../classgmx_1_1OptionsAssigner_1_1Impl.xhtml#a292a0c6cfed7148f01a99b95d8f8d7f4', 1, 'gmx::OptionsAssigner::Impl::options_'],\n-        ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a82e46f05bb9b7b80b013b6c614089228', 1, 'gmx::SelectionOptionManager::Impl::options_']\n+        ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#aa0b581c60a66865d20e59c0b7734729c', 1, 'gmx::internal::OptionSectionImpl::Group::options_'],\n+        ['../classgmx_1_1test_1_1FlagTest.xhtml#af80844cb3a58c500effbefef505aab8b', 1, 'gmx::test::FlagTest::options_'],\n+        ['../classgmx_1_1CommandLineHelpWriter_1_1Impl.xhtml#a9baa833f1ccfd071e838765eb5de135e', 1, 'gmx::CommandLineHelpWriter::Impl::options_']\n     ]],\n     ['options_5fimpl_2eh_179', ['options_impl.h', ['../options__impl_8h.xhtml', 1, '']]],\n-    ['optionsadapter_180', ['optionsadapter', ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter'],\n-        ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml#a1f9a304d7b9fb1e0ecf1e1241be78a04', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter::OptionsAdapter()']\n+    ['optionsadapter_180', ['optionsadapter', ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml#a1f9a304d7b9fb1e0ecf1e1241be78a04', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter::OptionsAdapter()'],\n+        ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter']\n     ]],\n-    ['optionsassigner_181', ['optionsassigner', ['../classgmx_1_1OptionsAssigner.xhtml#a1ec73dc8457bd1a10e4542b0617aac2c', 1, 'gmx::OptionsAssigner::OptionsAssigner()'],\n-        ['../classgmx_1_1OptionsAssigner.xhtml', 1, 'gmx::OptionsAssigner'],\n-        ['../classgmx_1_1Options.xhtml#a597cdff9412b378552b0419beb08fb2f', 1, 'gmx::Options::OptionsAssigner']\n+    ['optionsassigner_181', ['optionsassigner', ['../classgmx_1_1Options.xhtml#a597cdff9412b378552b0419beb08fb2f', 1, 'gmx::Options::OptionsAssigner'],\n+        ['../classgmx_1_1OptionsAssigner.xhtml#a1ec73dc8457bd1a10e4542b0617aac2c', 1, 'gmx::OptionsAssigner::OptionsAssigner()'],\n+        ['../classgmx_1_1OptionsAssigner.xhtml', 1, 'gmx::OptionsAssigner']\n     ]],\n     ['optionsassigner_2ecpp_182', ['optionsassigner.cpp', ['../tests_2optionsassigner_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../optionsassigner_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['optionsassigner_2eh_183', ['optionsassigner.h', ['../optionsassigner_8h.xhtml', 1, '']]],\n     ['optionsbehaviorcollection_184', ['optionsbehaviorcollection', ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a74526a586cd629ef3cf99fea463e57f1', 1, 'gmx::OptionsBehaviorCollection::OptionsBehaviorCollection()'],\n         ['../classgmx_1_1OptionsBehaviorCollection.xhtml', 1, 'gmx::OptionsBehaviorCollection']\n@@ -592,48 +592,48 @@\n     ]],\n     ['optionsectionimpl_189', ['optionsectionimpl', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#ad732e164448081e172643b2e192e1d68', 1, 'gmx::internal::OptionSectionImpl::OptionSectionImpl()'],\n         ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml', 1, 'gmx::internal::OptionSectionImpl']\n     ]],\n     ['optionsfilter_190', ['optionsfilter', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsFilter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsFilter'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsFilter.xhtml#aacaefce8572e2ffc40493686194daf32', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsFilter::OptionsFilter()']\n     ]],\n-    ['optionsfinished_191', ['optionsfinished', ['../classgmx_1_1ICommandLineOptionsModule.xhtml#ace80320e3379cc01c79e52c2a51e4e56', 1, 'gmx::ICommandLineOptionsModule::optionsFinished()'],\n+    ['optionsfinished_191', ['optionsfinished', ['../classgmx_1_1TimeUnitBehavior.xhtml#a39dbf3ae0c6cd27e41260525cdc81934', 1, 'gmx::TimeUnitBehavior::optionsFinished()'],\n+        ['../classgmx_1_1ICommandLineOptionsModule.xhtml#ace80320e3379cc01c79e52c2a51e4e56', 1, 'gmx::ICommandLineOptionsModule::optionsFinished()'],\n         ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a96e859a1f8ceb6bd4c430944a4f3faaa', 1, 'gmx::OptionsBehaviorCollection::optionsFinished()'],\n-        ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#afa3457cc922f1d16c4c19cec740e0442', 1, 'gmx::TrajectoryAnalysisModule::optionsFinished()'],\n         ['../classgmx_1_1analysismodules_1_1Msd.xhtml#a0b40f3faf4d88711bbabac660aa3f597', 1, 'gmx::analysismodules::Msd::optionsFinished()'],\n-        ['../classgmx_1_1SelectionOptionBehavior.xhtml#ac18e2436bac7d70a0a973166150b3683', 1, 'gmx::SelectionOptionBehavior::optionsFinished()'],\n         ['../group__module__trajectoryanalysis.xhtml#gad6e3bdf7096e4c88b9ff8cf4e1ad9739', 1, 'gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf::optionsFinished()'],\n         ['../classgmx_1_1TrajectoryAnalysisRunnerCommon.xhtml#a03b3e6895e314ca7ea90359ed0a3fedd', 1, 'gmx::TrajectoryAnalysisRunnerCommon::optionsFinished()'],\n-        ['../classgmx_1_1TimeUnitBehavior.xhtml#a39dbf3ae0c6cd27e41260525cdc81934', 1, 'gmx::TimeUnitBehavior::optionsFinished()'],\n-        ['../classgmx_1_1IOptionsBehavior.xhtml#a0e51c68861417e488fcb2a61b425887a', 1, 'gmx::IOptionsBehavior::optionsFinished()']\n+        ['../classgmx_1_1SelectionOptionBehavior.xhtml#ac18e2436bac7d70a0a973166150b3683', 1, 'gmx::SelectionOptionBehavior::optionsFinished()'],\n+        ['../classgmx_1_1IOptionsBehavior.xhtml#a0e51c68861417e488fcb2a61b425887a', 1, 'gmx::IOptionsBehavior::optionsFinished()'],\n+        ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#afa3457cc922f1d16c4c19cec740e0442', 1, 'gmx::TrajectoryAnalysisModule::optionsFinished()']\n     ]],\n-    ['optionsfinishing_192', ['optionsfinishing', ['../classgmx_1_1TimeUnitBehavior.xhtml#a40693bc93fd435e9fb88c14f68dc709f', 1, 'gmx::TimeUnitBehavior::optionsFinishing()'],\n-        ['../classgmx_1_1SelectionOptionBehavior.xhtml#ab968390f8410e64d43021d5d7455154b', 1, 'gmx::SelectionOptionBehavior::optionsFinishing()'],\n+    ['optionsfinishing_192', ['optionsfinishing', ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a677d18d5dc8e7656783ca21b486055d2', 1, 'gmx::OptionsBehaviorCollection::optionsFinishing()'],\n         ['../classgmx_1_1IOptionsBehavior.xhtml#a2d687df65d56514816478fcda042c3b1', 1, 'gmx::IOptionsBehavior::optionsFinishing()'],\n-        ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a677d18d5dc8e7656783ca21b486055d2', 1, 'gmx::OptionsBehaviorCollection::optionsFinishing()']\n+        ['../classgmx_1_1SelectionOptionBehavior.xhtml#ab968390f8410e64d43021d5d7455154b', 1, 'gmx::SelectionOptionBehavior::optionsFinishing()'],\n+        ['../classgmx_1_1TimeUnitBehavior.xhtml#a40693bc93fd435e9fb88c14f68dc709f', 1, 'gmx::TimeUnitBehavior::optionsFinishing()']\n     ]],\n     ['optionsimpl_193', ['OptionsImpl', ['../classgmx_1_1internal_1_1OptionsImpl.xhtml', 1, 'gmx::internal']]],\n     ['optionsiterator_194', ['optionsiterator', ['../classgmx_1_1OptionsIterator.xhtml', 1, 'gmx::OptionsIterator'],\n         ['../classgmx_1_1OptionsIterator.xhtml#a04e208ff7282fa44bcf65172bf5ec6bc', 1, 'gmx::OptionsIterator::OptionsIterator(const OptionSectionInfo &amp;section)'],\n         ['../classgmx_1_1OptionsIterator.xhtml#a85a4bbdac8294e17f46c19b869ec18ad', 1, 'gmx::OptionsIterator::OptionsIterator(const Options &amp;options)']\n     ]],\n-    ['optionslistformatter_195', ['optionslistformatter', ['../group__module__commandline.xhtml#gae57df389ee654625f4f37889feb0d1af', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::OptionsListFormatter()'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsListFormatter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter']\n+    ['optionslistformatter_195', ['optionslistformatter', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsListFormatter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter'],\n+        ['../group__module__commandline.xhtml#gae57df389ee654625f4f37889feb0d1af', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::OptionsListFormatter()']\n     ]],\n     ['optionsmodifyingiterator_196', ['optionsmodifyingiterator', ['../classgmx_1_1OptionsModifyingIterator.xhtml', 1, 'gmx::OptionsModifyingIterator'],\n-        ['../classgmx_1_1OptionsModifyingIterator.xhtml#af187e7362d387745eb6f6484f6468305', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(Options *options)'],\n-        ['../classgmx_1_1OptionsModifyingIterator.xhtml#aaa68f5b4806f54f03162b53b4b0a6965', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(OptionSectionInfo *section)']\n+        ['../classgmx_1_1OptionsModifyingIterator.xhtml#aaa68f5b4806f54f03162b53b4b0a6965', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(OptionSectionInfo *section)'],\n+        ['../classgmx_1_1OptionsModifyingIterator.xhtml#af187e7362d387745eb6f6484f6468305', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(Options *options)']\n     ]],\n     ['optionsmodifyingtypevisitor_197', ['OptionsModifyingTypeVisitor', ['../classgmx_1_1OptionsModifyingTypeVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodifyingtypevisitor_3c_20floatingpointoptioninfo_20_3e_198', ['OptionsModifyingTypeVisitor&lt; FloatingPointOptionInfo &gt;', ['../classgmx_1_1OptionsModifyingTypeVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodifyingvisitor_199', ['OptionsModifyingVisitor', ['../classgmx_1_1OptionsModifyingVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodulesettings_5f_200', ['optionsModuleSettings_', ['../classgmx_1_1TrajectoryAnalysisSettings_1_1Impl.xhtml#aa30802598cfbc0bfa82a65579e47651a', 1, 'gmx::TrajectoryAnalysisSettings::Impl']]],\n-    ['optionstoragetemplate_201', ['optionstoragetemplate', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx::OptionStorageTemplate&lt; T &gt;'],\n-        ['../classgmx_1_1OptionStorageTemplate.xhtml#a141155fc18064e65d14e23f2c26f8b6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const AbstractOption &amp;settings, StorePointer store)'],\n-        ['../classgmx_1_1OptionStorageTemplate.xhtml#a979a7a8f2176df65f7ba26e52e67da6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const OptionTemplate&lt; T, U &gt; &amp;settings, OptionFlags staticFlags=OptionFlags())']\n+    ['optionstoragetemplate_201', ['optionstoragetemplate', ['../classgmx_1_1OptionStorageTemplate.xhtml#a141155fc18064e65d14e23f2c26f8b6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const AbstractOption &amp;settings, StorePointer store)'],\n+        ['../classgmx_1_1OptionStorageTemplate.xhtml#a979a7a8f2176df65f7ba26e52e67da6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const OptionTemplate&lt; T, U &gt; &amp;settings, OptionFlags staticFlags=OptionFlags())'],\n+        ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx::OptionStorageTemplate&lt; T &gt;']\n     ]],\n     ['optionstoragetemplate_2eh_202', ['optionstoragetemplate.h', ['../optionstoragetemplate_8h.xhtml', 1, '']]],\n     ['optionstoragetemplate_3c_20bool_20_3e_203', ['OptionStorageTemplate&lt; bool &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20double_20_3e_204', ['OptionStorageTemplate&lt; double &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20float_20_3e_205', ['OptionStorageTemplate&lt; float &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20int_20_3e_206', ['OptionStorageTemplate&lt; int &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20int64_5ft_20_3e_207', ['OptionStorageTemplate&lt; int64_t &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n@@ -650,16 +650,16 @@\n     ['optionstoragetemplatesimple_3c_20int_20_3e_215', ['OptionStorageTemplateSimple&lt; int &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20int64_5ft_20_3e_216', ['OptionStorageTemplateSimple&lt; int64_t &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20std_3a_3astring_20_3e_217', ['OptionStorageTemplateSimple&lt; std::string &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstypevisitor_218', ['OptionsTypeVisitor', ['../classgmx_1_1OptionsTypeVisitor.xhtml', 1, 'gmx']]],\n     ['optionsvisitor_219', ['OptionsVisitor', ['../classgmx_1_1OptionsVisitor.xhtml', 1, 'gmx']]],\n     ['optionsvisitor_2ecpp_220', ['optionsvisitor.cpp', ['../optionsvisitor_8cpp.xhtml', 1, '']]],\n     ['optionsvisitor_2eh_221', ['optionsvisitor.h', ['../optionsvisitor_8h.xhtml', 1, '']]],\n-    ['optiontemplate_222', ['optiontemplate', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx::OptionTemplate&lt; T, U &gt;'],\n-        ['../classgmx_1_1OptionTemplate.xhtml#a6549910fea5db3f97397efa24de4148a', 1, 'gmx::OptionTemplate::OptionTemplate()']\n+    ['optiontemplate_222', ['optiontemplate', ['../classgmx_1_1OptionTemplate.xhtml#a6549910fea5db3f97397efa24de4148a', 1, 'gmx::OptionTemplate::OptionTemplate()'],\n+        ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx::OptionTemplate&lt; T, U &gt;']\n     ]],\n     ['optiontemplate_3c_20bool_2c_20booleanoption_20_3e_223', ['OptionTemplate&lt; bool, BooleanOption &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n     ['optiontemplate_3c_20double_2c_20doubleoption_20_3e_224', ['OptionTemplate&lt; double, DoubleOption &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n     ['optiontemplate_3c_20enumtype_2c_20enumoption_3c_20enumtype_20_3e_20_3e_225', ['OptionTemplate&lt; EnumType, EnumOption&lt; EnumType &gt; &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n     ['optiontemplate_3c_20enumtype_2c_20legacyenumoption_3c_20enumtype_20_3e_20_3e_226', ['OptionTemplate&lt; EnumType, LegacyEnumOption&lt; EnumType &gt; &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n     ['optiontemplate_3c_20float_2c_20floatoption_20_3e_227', ['OptionTemplate&lt; float, FloatOption &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n     ['optiontemplate_3c_20int_2c_20integeroption_20_3e_228', ['OptionTemplate&lt; int, IntegerOption &gt;', ['../classgmx_1_1OptionTemplate.xhtml', 1, 'gmx']]],\n@@ -677,23 +677,23 @@\n     ['optionvalueconvertersimple_3c_20std_3a_3astring_20_3e_240', ['OptionValueConverterSimple&lt; std::string &gt;', ['../classgmx_1_1OptionValueConverterSimple.xhtml', 1, 'gmx']]],\n     ['optionvalueconvertersimple_3c_20t_20_3e_241', ['OptionValueConverterSimple&lt; T &gt;', ['../classgmx_1_1OptionValueConverterSimple.xhtml', 1, 'gmx']]],\n     ['optionvaluestorenull_242', ['OptionValueStoreNull', ['../classgmx_1_1OptionValueStoreNull.xhtml', 1, 'gmx']]],\n     ['oracle_243', ['Oracle', ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a30162ed78b6c10f731411f2fc440c24f', 1, 'gmx::CpuInfo']]],\n     ['order_244', ['Order', ['../pme__gpu__constants_8h.xhtml#a3906f1a6891bba7e415ad2b7d3c4cef0aa240fa27925a635b08dc28c9e4f9216d', 1, 'pme_gpu_constants.h']]],\n     ['ordersquared_245', ['OrderSquared', ['../pme__gpu__constants_8h.xhtml#a3906f1a6891bba7e415ad2b7d3c4cef0a3d710f4169b9fe35b6d53ef728db2bf6', 1, 'pme_gpu_constants.h']]],\n     ['ordertensors_246', ['orderTensors', ['../structt__oriresdata.xhtml#a7bcf5d4b19c3f7dff0f62066056a76e0', 1, 't_oriresdata']]],\n-    ['ordervector_247', ['ordervector', ['../partition_8cpp.xhtml#af81b8dd487eb827d0d44a3c08a6bd581', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; vectorToSort, const T &amp;fillerValue, gmx::FastVector&lt; T &gt; *workVector):&#160;partition.cpp'],\n+    ['ordervector_247', ['ordervector', ['../partition_8cpp.xhtml#a62dabb329c6aed5f62c3293a4482de77', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, const T fillerValue, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp'],\n         ['../partition_8cpp.xhtml#abbd68a7388ff560860dec6df7b128bb4', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp'],\n-        ['../partition_8cpp.xhtml#a62dabb329c6aed5f62c3293a4482de77', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, const T fillerValue, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp']\n+        ['../partition_8cpp.xhtml#af81b8dd487eb827d0d44a3c08a6bd581', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; vectorToSort, const T &amp;fillerValue, gmx::FastVector&lt; T &gt; *workVector):&#160;partition.cpp']\n     ]],\n     ['organization_248', ['organization', ['../page_simd.xhtml#autotoc_md58', 1, 'File organization'],\n         ['../page_refdata.xhtml#autotoc_md52', 1, 'Reference data organization']\n     ]],\n-    ['organizemdpfile_249', ['organizemdpfile', ['../classgmx_1_1test_1_1MultiSimTest.xhtml#aa343a83ca442cb66ced3c1daa04f1ee1', 1, 'gmx::test::MultiSimTest::organizeMdpFile()'],\n-        ['../namespacegmx_1_1test.xhtml#a95d29a9c1a3348aea0efde31261482f4', 1, 'gmx::test::organizeMdpFile()']\n+    ['organizemdpfile_249', ['organizemdpfile', ['../namespacegmx_1_1test.xhtml#a95d29a9c1a3348aea0efde31261482f4', 1, 'gmx::test::organizeMdpFile()'],\n+        ['../classgmx_1_1test_1_1MultiSimTest.xhtml#aa343a83ca442cb66ced3c1daa04f1ee1', 1, 'gmx::test::MultiSimTest::organizeMdpFile()']\n     ]],\n     ['orgid_250', ['orgid', ['../structgmx__ana__indexmap__t.xhtml#a480c734c65ad2a432690b7d27663fb40', 1, 'gmx_ana_indexmap_t']]],\n     ['orientations_251', ['orientations', ['../structt__oriresdata.xhtml#a12816bf0b47ebfe75ee47d8cc403e5f3', 1, 't_oriresdata']]],\n     ['orientationsensembleav_252', ['orientationsEnsembleAv', ['../structt__oriresdata.xhtml#affb07a897c704f0b9c82c0c4013827aa', 1, 't_oriresdata']]],\n     ['orientationsensembleavbuffer_253', ['orientationsEnsembleAvBuffer', ['../structt__oriresdata.xhtml#aca3212ff4bdbddeae3982399f4e29c7d', 1, 't_oriresdata']]],\n     ['orientationstimeandensembleav_254', ['orientationsTimeAndEnsembleAv', ['../structt__oriresdata.xhtml#a128bef8adaf9af44543495daf25e12cf', 1, 't_oriresdata']]],\n     ['orientationstimeandensembleavbuffer_255', ['orientationsTimeAndEnsembleAvBuffer', ['../structt__oriresdata.xhtml#a9ca5caaf9f175ebf180358fffc6972db', 1, 't_oriresdata']]],\n@@ -702,107 +702,107 @@\n         ['../classgmx_1_1GridAxis.xhtml#ac2cc23846a7de6ebea1e0fbce98b3833', 1, 'gmx::GridAxis::origin()']\n     ]],\n     ['orire_5fdtav_258', ['orire_Dtav', ['../classhistory__t.xhtml#a92a289ae075daedd89d6971c6ed38c1a', 1, 'history_t']]],\n     ['orire_5finitf_259', ['orire_initf', ['../classhistory__t.xhtml#a6047d3a9ba6318f77225bb5da2c92b40', 1, 'history_t']]],\n     ['orires_260', ['orires', ['../orires_8h.xhtml#ae3c8481da82a990b246b4ad54441b52f', 1, 'orires.h']]],\n     ['orires_2ecpp_261', ['orires.cpp', ['../programs_2mdrun_2tests_2orires_8cpp.xhtml', 1, '']]],\n     ['orires_2eh_262', ['orires.h', ['../orires_8h.xhtml', 1, '']]],\n-    ['osid_263', ['osid', ['../structgmx_1_1anonymous__namespace_02cpuinfo_8cpp_03_1_1ApicInfo.xhtml#ab8c6e6ec23a07ff79d628f8826c6d54f', 1, 'gmx::anonymous_namespace{cpuinfo.cpp}::ApicInfo::osId'],\n-        ['../structgmx_1_1CpuInfo_1_1LogicalProcessor.xhtml#a9917bc1fbe9a4b4faff98af24515b0ff', 1, 'gmx::CpuInfo::LogicalProcessor::osId'],\n+    ['osid_263', ['osid', ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#a683fb54496f56a5dfe28b9691fa1010a', 1, 'gmx::HardwareTopology::LogicalProcessor::osId'],\n         ['../structgmx_1_1HardwareTopology_1_1ProcessingUnit.xhtml#a839e7cf8430f20220c1bb0a04e29d4a6', 1, 'gmx::HardwareTopology::ProcessingUnit::osId'],\n-        ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#a683fb54496f56a5dfe28b9691fa1010a', 1, 'gmx::HardwareTopology::LogicalProcessor::osId']\n+        ['../structgmx_1_1CpuInfo_1_1LogicalProcessor.xhtml#a9917bc1fbe9a4b4faff98af24515b0ff', 1, 'gmx::CpuInfo::LogicalProcessor::osId'],\n+        ['../structgmx_1_1anonymous__namespace_02cpuinfo_8cpp_03_1_1ApicInfo.xhtml#ab8c6e6ec23a07ff79d628f8826c6d54f', 1, 'gmx::anonymous_namespace{cpuinfo.cpp}::ApicInfo::osId']\n     ]],\n     ['osidtopuid_264', ['osIdToPuId', ['../structgmx_1_1HardwareTopology_1_1Machine.xhtml#a2e9f194ebef1a97eb7fa9f533b192449', 1, 'gmx::HardwareTopology::Machine']]],\n     ['other_265', ['Other', ['../namespacegmx.xhtml#a73202d646d57bcc963d8afd5a16015f0a6311ae17c1ee52b36e68aaf4ad066387', 1, 'gmx']]],\n     ['other_20formats_266', ['Help in other formats', ['../page_wrapperbinary.xhtml#autotoc_md74', 1, '']]],\n     ['other_20older_20approaches_267', ['Other (older) approaches', ['../page_modularsimulator.xhtml#autotoc_md44', 1, '']]],\n     ['out_5fangles_268', ['out_angles', ['../structgmx__enfrot.xhtml#a592a9fb71898d053bc1126cede0ecd17', 1, 'gmx_enfrot']]],\n     ['out_5frot_269', ['out_rot', ['../structgmx__enfrot.xhtml#a2714985fe3702a12979dbc6a4143d895', 1, 'gmx_enfrot']]],\n     ['out_5fslabs_270', ['out_slabs', ['../structgmx__enfrot.xhtml#a6d0ff8951b1f6e3e13cc92a2afe264cd', 1, 'gmx_enfrot']]],\n     ['out_5ftorque_271', ['out_torque', ['../structgmx__enfrot.xhtml#a1b9f6d19f38a3ef925d4f7cc344a46d0', 1, 'gmx_enfrot']]],\n     ['outerproductevaluator_272', ['OuterProductEvaluator', ['../classgmx_1_1OuterProductEvaluator.xhtml', 1, 'gmx']]],\n-    ['outerproductzy_5f_273', ['outerproductzy_', ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#a76744dcca53d7159aaf07d2b78052dbc', 1, 'gmx::DensityFittingForce::Impl::outerProductZY_'],\n-        ['../classgmx_1_1GaussTransform3D_1_1Impl.xhtml#a2fe305552e1af0f9f15def4587506c3d', 1, 'gmx::GaussTransform3D::Impl::outerProductZY_']\n+    ['outerproductzy_5f_273', ['outerproductzy_', ['../classgmx_1_1GaussTransform3D_1_1Impl.xhtml#a2fe305552e1af0f9f15def4587506c3d', 1, 'gmx::GaussTransform3D::Impl::outerProductZY_'],\n+        ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#a76744dcca53d7159aaf07d2b78052dbc', 1, 'gmx::DensityFittingForce::Impl::outerProductZY_']\n     ]],\n     ['outf_274', ['outf', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a418bdf83009d84dc28c7ccc0b9591bb1', 1, 'gmx::ImdSession::Impl']]],\n     ['outinit_275', ['outinit', ['../structgmx__ana__selmethod__t.xhtml#ab6f368546e7a0605669f6ffa9a4e1184', 1, 'gmx_ana_selmethod_t']]],\n     ['output_276', ['output', ['../page_trajectoryanalysisframework.xhtml#autotoc_md101', 1, 'Coordinate data output'],\n         ['../page_analysistemplate.xhtml#autotoc_md86', 1, 'Output']\n     ]],\n     ['output_20data_20analysisdata_277', ['Parallelizable Handling of Output Data (analysisdata)', ['../group__module__analysisdata.xhtml', 1, '']]],\n     ['output_20data_20handling_278', ['output data handling', ['../page_analysisdata.xhtml', 1, 'Analysis output data handling'],\n         ['../page_trajectoryanalysisframework.xhtml#autotoc_md100', 1, 'Output data handling'],\n         ['../page_energyanalysisframework.xhtml#autotoc_md90', 1, 'Output data handling']\n     ]],\n     ['output_2eh_279', ['output.h', ['../output_8h.xhtml', 1, '']]],\n-    ['outputadaptercontainer_280', ['outputadaptercontainer', ['../classgmx_1_1OutputAdapterContainer.xhtml#a24e4389e62ce62e3e170fd0293112ddf', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(unsigned long abilities)'],\n-        ['../classgmx_1_1OutputAdapterContainer.xhtml#aaf6aa8b1a9e26274a1184a78b28daf68', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(CoordinateFileFlags abilities)'],\n+    ['outputadaptercontainer_280', ['outputadaptercontainer', ['../classgmx_1_1OutputAdapterContainer.xhtml#aaf6aa8b1a9e26274a1184a78b28daf68', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(CoordinateFileFlags abilities)'],\n+        ['../classgmx_1_1OutputAdapterContainer.xhtml#a24e4389e62ce62e3e170fd0293112ddf', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(unsigned long abilities)'],\n         ['../classgmx_1_1OutputAdapterContainer.xhtml', 1, 'gmx::OutputAdapterContainer']\n     ]],\n-    ['outputadaptercontainer_2ecpp_281', ['outputadaptercontainer.cpp', ['../outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['outputadaptercontainer_2ecpp_281', ['outputadaptercontainer.cpp', ['../tests_2outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['outputadaptercontainer_2eh_282', ['outputadaptercontainer.h', ['../outputadaptercontainer_8h.xhtml', 1, '']]],\n     ['outputadapterpointer_283', ['OutputAdapterPointer', ['../namespacegmx.xhtml#a931d7c3f10f668b68f3307c9a23aac82', 1, 'gmx']]],\n     ['outputadapters_2ecpp_284', ['outputadapters.cpp', ['../outputadapters_8cpp.xhtml', 1, '']]],\n     ['outputadapters_2eh_285', ['outputadapters.h', ['../outputadapters_8h.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2outputadapters_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['outputbuffer_286', ['outputbuffer', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a844a4b89e2ec0a9150dd46960e998744', 1, 'gmx::nbnxn_atomdata_t::outputBuffer(int thread) const'],\n         ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a6bde4c4dc88ba22650ae13cb977bfffd', 1, 'gmx::nbnxn_atomdata_t::outputBuffer(int thread)']\n     ]],\n     ['outputbuffers_287', ['outputBuffers', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a13e67345005e7b132821c867340d881d', 1, 'gmx::nbnxn_atomdata_t']]],\n     ['outputenv_5f_288', ['outputEnv_', ['../classgmx_1_1SimulatorEnv.xhtml#aa1aa20355975f59f3a92ff3e3b6926e3', 1, 'gmx::SimulatorEnv']]],\n-    ['outputfile_289', ['outputfile', ['../classOutputFile.xhtml', 1, 'OutputFile'],\n-        ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()'],\n+    ['outputfile_289', ['outputfile', ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()'],\n         ['../classgmx_1_1HelpWriterContext.xhtml#a655c0f595a738d56078de302e756840d', 1, 'gmx::HelpWriterContext::outputFile()'],\n-        ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#ac25520de7a467ddeec04197c1b5396c9', 1, 'gmx::NbnxmKernelBenchOptions::outputFile'],\n         ['../classOutputFile.xhtml#ac7a960d433c068b45d1a4d69db2afab4', 1, 'OutputFile::OutputFile()'],\n-        ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()']\n+        ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()'],\n+        ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#ac25520de7a467ddeec04197c1b5396c9', 1, 'gmx::NbnxmKernelBenchOptions::outputFile'],\n+        ['../classOutputFile.xhtml', 1, 'OutputFile']\n     ]],\n     ['outputfiles_290', ['outputFiles', ['../classgmx_1_1anonymous__namespace_02handlerestart_8cpp_03_1_1StartingBehaviorHandler.xhtml#a9e9db68654dfa6a3ab2e55fc02a5457f', 1, 'gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler']]],\n     ['outputfiles_2ecpp_291', ['outputfiles.cpp', ['../outputfiles_8cpp.xhtml', 1, '']]],\n     ['outputfilestestparams_292', ['OutputFilesTestParams', ['../namespacegmx_1_1test_1_1anonymous__namespace_02outputfiles_8cpp_03.xhtml#a8a8f20526e2ec669992bc40c061b1045', 1, 'gmx::test::anonymous_namespace{outputfiles.cpp}']]],\n     ['outputfiletype_293', ['OutputFileType', ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a0d9fdb0da3e9c99ad58a3e02bcd01fbc', 1, 'anonymous_namespace{gmx_awh.cpp}']]],\n     ['outputforces_294', ['outputForces', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a52c053d2f484872840df51fd76eb07d1', 1, 'gmx::ImdSession::Impl']]],\n     ['outputformat_295', ['outputFormat', ['../classgmx_1_1HelpWriterContext.xhtml#a6a6f292ac89470c9070141d96ce46213', 1, 'gmx::HelpWriterContext']]],\n     ['outputparametergeneratorfunction_296', ['OutputParameterGeneratorFunction', ['../namespacegmx_1_1test.xhtml#a4d3f74cfb6fe86190ac6944586d98cc2', 1, 'gmx::test']]],\n     ['outputparameters_297', ['outputParameters', ['../namespacegmx_1_1test.xhtml#af69e1aa96a402756bc085f8c0e4a6e3e', 1, 'gmx::test']]],\n-    ['outputprovider_298', ['outputprovider', ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml#a62758ceddf7643d6d4ff2f29a53daae4', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule::outputProvider()'],\n-        ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()'],\n-        ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()'],\n-        ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()'],\n-        ['../classgmx_1_1anonymous__namespace_02qmmm_8cpp_03_1_1QMMM.xhtml#afbe4b4f15f2fb51dec87524400c3679b', 1, 'gmx::anonymous_namespace{qmmm.cpp}::QMMM::outputProvider()'],\n+    ['outputprovider_298', ['outputprovider', ['../classgmx_1_1anonymous__namespace_02qmmm_8cpp_03_1_1QMMM.xhtml#afbe4b4f15f2fb51dec87524400c3679b', 1, 'gmx::anonymous_namespace{qmmm.cpp}::QMMM::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule__stub_8cpp_03_1_1PlumedMDModule.xhtml#a6b9f0c069a221b101096f9f68f29c803', 1, 'gmx::anonymous_namespace{plumedMDModule_stub.cpp}::PlumedMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule_8cpp_03_1_1PlumedMDModule.xhtml#ad55fe10b4200308446752ca7e9ff43c9', 1, 'gmx::anonymous_namespace{plumedMDModule.cpp}::PlumedMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02nnpot_8cpp_03_1_1NNPotMDModule.xhtml#a60708733d18b2a18c189f54be32b3d1f', 1, 'gmx::anonymous_namespace{nnpot.cpp}::NNPotMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02electricfield_8cpp_03_1_1ElectricField.xhtml#a8626e0c00a59d28fb747cd2fee362be1', 1, 'gmx::anonymous_namespace{electricfield.cpp}::ElectricField::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml#ac11d6a709c42d71c5d21c183274c2305', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting::outputProvider()'],\n-        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml#a7dfc4b65e317135bf9116ae6a82e1417', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule::outputProvider()']\n+        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml#a7dfc4b65e317135bf9116ae6a82e1417', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule::outputProvider()'],\n+        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml#a62758ceddf7643d6d4ff2f29a53daae4', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule::outputProvider()'],\n+        ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()'],\n+        ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()'],\n+        ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()']\n     ]],\n     ['outputprovider_5f_299', ['outputProvider_', ['../classgmx_1_1LegacySimulatorData.xhtml#a189bb18d1e119b20ee50a8573240c1a6', 1, 'gmx::LegacySimulatorData']]],\n-    ['outputquantities_300', ['outputquantities', ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities'],\n+    ['outputquantities_300', ['outputquantities', ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities'],\n         ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::OutputQuantities']\n     ]],\n     ['outputrequirementoptiondirector_301', ['OutputRequirementOptionDirector', ['../classgmx_1_1OutputRequirementOptionDirector.xhtml', 1, 'gmx']]],\n     ['outputrequirements_302', ['OutputRequirements', ['../structgmx_1_1OutputRequirements.xhtml', 1, 'gmx']]],\n-    ['outputrootentry_5f_303', ['outputrootentry_', ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a0a3b479f7489afaa61e604660a15ae19', 1, 'gmx::test::TestReferenceChecker::Impl::outputRootEntry_'],\n-        ['../classgmx_1_1test_1_1internal_1_1TestReferenceDataImpl.xhtml#a4e8eac53ae3b582467529619b38399a8', 1, 'gmx::test::internal::TestReferenceDataImpl::outputRootEntry_']\n+    ['outputrootentry_5f_303', ['outputrootentry_', ['../classgmx_1_1test_1_1internal_1_1TestReferenceDataImpl.xhtml#a4e8eac53ae3b582467529619b38399a8', 1, 'gmx::test::internal::TestReferenceDataImpl::outputRootEntry_'],\n+        ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a0a3b479f7489afaa61e604660a15ae19', 1, 'gmx::test::TestReferenceChecker::Impl::outputRootEntry_']\n     ]],\n-    ['outputselector_304', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector'],\n+    ['outputselector_304', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml#adfdcfbbeb5cbf85a8ec3cd2c0c92ab69', 1, 'gmx::OutputSelector::OutputSelector(const Selection &amp;sel)'],\n         ['../classgmx_1_1OutputSelector.xhtml#af79a9c1cb189a56a816f564b2ab506d6', 1, 'gmx::OutputSelector::OutputSelector(OutputSelector &amp;&amp;old) noexcept=default'],\n-        ['../classgmx_1_1OutputSelector.xhtml#adfdcfbbeb5cbf85a8ec3cd2c0c92ab69', 1, 'gmx::OutputSelector::OutputSelector(const Selection &amp;sel)']\n+        ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector']\n     ]],\n     ['outputselector_2ecpp_305', ['outputselector.cpp', ['../outputselector_8cpp.xhtml', 1, '']]],\n     ['outputselector_2eh_306', ['outputselector.h', ['../outputselector_8h.xhtml', 1, '']]],\n     ['outputselectordeathtest_307', ['OutputSelectorDeathTest', ['../classgmx_1_1test_1_1OutputSelectorDeathTest.xhtml', 1, 'gmx::test']]],\n     ['outputselectorpointer_308', ['OutputSelectorPointer', ['../namespacegmx.xhtml#a139b5367368caa9a3189d367ecb2ba36', 1, 'gmx']]],\n-    ['outputsforces_309', ['outputsforces', ['../classgmx_1_1TorchModel.xhtml#a4586a9e3c5c8b909d66de4fb6ec7a9cd', 1, 'gmx::TorchModel::outputsForces()'],\n-        ['../classgmx_1_1INNPotModel.xhtml#a3932241bd98dba18e262ac05c53d69ba', 1, 'gmx::INNPotModel::outputsForces()']\n+    ['outputsforces_309', ['outputsforces', ['../classgmx_1_1INNPotModel.xhtml#a3932241bd98dba18e262ac05c53d69ba', 1, 'gmx::INNPotModel::outputsForces()'],\n+        ['../classgmx_1_1TorchModel.xhtml#a4586a9e3c5c8b909d66de4fb6ec7a9cd', 1, 'gmx::TorchModel::outputsForces()']\n     ]],\n     ['outputstartstructureifwanted_310', ['outputStartStructureIfWanted', ['../gromacs_2swap_2swapcoords_8cpp.xhtml#ae93792afe330e7d0b2d1114e97457986', 1, 'swapcoords.cpp']]],\n     ['outputstream_311', ['outputStream', ['../classgmx_1_1test_1_1InteractiveTestHelper.xhtml#a7082d6e0d7115bc79c50b156e4c6b228', 1, 'gmx::test::InteractiveTestHelper']]],\n     ['outputtempdirectory_5f_312', ['outputTempDirectory_', ['../classgmx_1_1test_1_1TestFileManager_1_1Impl.xhtml#af15703efc579053739917cea5a5c6f9d', 1, 'gmx::test::TestFileManager::Impl']]],\n     ['outputtypetonormalization_313', ['outputTypeToNormalization', ['../namespacegmx_1_1anonymous__namespace_02biaswriter_8cpp_03.xhtml#adf61ddefabe6083b47fb8a6bae0a631a', 1, 'gmx::anonymous_namespace{biaswriter.cpp}']]],\n     ['over_20mpi_314', ['Spatial domain decomposition (for parallelization over MPI)', ['../group__module__domdec.xhtml', 1, '']]],\n     ['over_5falloc_5fdd_315', ['over_alloc_dd', ['../smalloc_8h.xhtml#af1533c63c1d40c5bb9bfaaa6d898369a', 1, 'smalloc.cpp']]],\n@@ -812,11 +812,11 @@\n     ['overlaprecvcapacity_319', ['overlapRecvCapacity', ['../structPmeGpuHaloExchange.xhtml#a4a086875e11a80eaf7cd650f4acbaf9d', 1, 'PmeGpuHaloExchange']]],\n     ['overlaprecvsize_320', ['overlapRecvSize', ['../structPmeGpuHaloExchange.xhtml#a3c27ce0b2de4f256cce97fb59b8d3ec2', 1, 'PmeGpuHaloExchange']]],\n     ['overlapsendcapacity_321', ['overlapSendCapacity', ['../structPmeGpuHaloExchange.xhtml#ae0505c080b50b552f979d6836715ee2d', 1, 'PmeGpuHaloExchange']]],\n     ['overlapsendsize_322', ['overlapSendSize', ['../structPmeGpuHaloExchange.xhtml#a1a82f88b29e81fe40ad01e020bd77206', 1, 'PmeGpuHaloExchange']]],\n     ['override_5fnsteps_5fcmdline_323', ['override_nsteps_cmdline', ['../runner_8cpp.xhtml#ae0621a7f7cf0f5acb28130cd789fa94d', 1, 'runner.cpp']]],\n     ['overridesourceroot_324', ['overrideSourceRoot', ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a8cefeebc77a92fe411e0d4beb9cbf053', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext']]],\n     ['overview_325', ['Structural overview', ['../page_selections.xhtml#autotoc_md95', 1, '']]],\n-    ['ow1_326', ['ow1', ['../structWaterMolecule.xhtml#ac8c8d40e6687fb0e519d2971310bb03b', 1, 'WaterMolecule::ow1'],\n-        ['../classgmx_1_1SettleData.xhtml#ab01280569ca1a57ff7a38e8f3ed4c183', 1, 'gmx::SettleData::ow1()']\n+    ['ow1_326', ['ow1', ['../classgmx_1_1SettleData.xhtml#ab01280569ca1a57ff7a38e8f3ed4c183', 1, 'gmx::SettleData::ow1()'],\n+        ['../structWaterMolecule.xhtml#ac8c8d40e6687fb0e519d2971310bb03b', 1, 'WaterMolecule::ow1']\n     ]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -26,20 +26,20 @@\n     ['paddedconstarrayref_16', ['paddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a3b87c53ddcde85eccd59b62fafc2fec3', 1, 'gmx::ArrayRefWithPadding']]],\n     ['paddedhostvector_17', ['paddedhostvector', ['../namespacegmx.xhtml#a5ec47a61b30ffcc249cc27ae5ea47da8', 1, 'gmx::PaddedHostVector'],\n         ['../state_8h.xhtml#ac8c51716c19f5f58463e856c19b39acb', 1, 'PaddedHostVector:&#160;state.h']\n     ]],\n     ['paddednumatomsincolumn_18', ['paddedNumAtomsInColumn', ['../classgmx_1_1Grid.xhtml#a637b80833171b976e901a62e23fb80a2', 1, 'gmx::Grid']]],\n     ['paddedsize_19', ['paddedSize', ['../classgmx_1_1PaddedVector.xhtml#aa3d1b552af6106d1bb61426b4605add3', 1, 'gmx::PaddedVector']]],\n     ['paddedvector_20', ['paddedvector', ['../classgmx_1_1PaddedVector.xhtml#ac090f26229cc0e5ca4cf4f70d500dd9e', 1, 'gmx::PaddedVector::PaddedVector(size_type count, value_type const &amp;v, const allocator_type &amp;allocator=Allocator())'],\n+        ['../classgmx_1_1PaddedVector.xhtml#a8a5f5975b2207677f1e956060b02c1d2', 1, 'gmx::PaddedVector::PaddedVector(allocator_type const &amp;allocator)'],\n         ['../classgmx_1_1PaddedVector.xhtml#aae517037a7e2a04806a72deffe661437', 1, 'gmx::PaddedVector::PaddedVector(std::initializer_list&lt; value_type &gt; const &amp;il)'],\n         ['../classgmx_1_1PaddedVector.xhtml#af634e58ae15af112df64a6e9f42a5460', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o, const Allocator &amp;alloc) noexcept'],\n-        ['../classgmx_1_1PaddedVector.xhtml#a99f036b6e7ea821ab24604474748c8f6', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o) noexcept'],\n         ['../classgmx_1_1PaddedVector.xhtml#ae8d292225db685d912d5be8f26d32d2d', 1, 'gmx::PaddedVector::PaddedVector(size_type count, const allocator_type &amp;allocator=Allocator())'],\n-        ['../classgmx_1_1PaddedVector.xhtml#a8a5f5975b2207677f1e956060b02c1d2', 1, 'gmx::PaddedVector::PaddedVector(allocator_type const &amp;allocator)'],\n         ['../classgmx_1_1PaddedVector.xhtml#a1455b09f0cb0dd2b5f6ff5b092ecea08', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector const &amp;o)'],\n+        ['../classgmx_1_1PaddedVector.xhtml#a99f036b6e7ea821ab24604474748c8f6', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o) noexcept'],\n         ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx::PaddedVector&lt; T, Allocator &gt;']\n     ]],\n     ['paddedvector_2ecpp_21', ['paddedvector.cpp', ['../paddedvector_8cpp.xhtml', 1, '']]],\n     ['paddedvector_2eh_22', ['paddedvector.h', ['../paddedvector_8h.xhtml', 1, '']]],\n     ['paddedvector_3c_20gmx_3a_3abasicvector_20_3e_23', ['PaddedVector&lt; gmx::BasicVector &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n     ['paddedvector_3c_20real_20_3e_24', ['PaddedVector&lt; real &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n     ['paddedvector_3c_20rvec_20_3e_25', ['PaddedVector&lt; RVec &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n@@ -68,38 +68,38 @@\n     ['pairhash_41', ['pairHash', ['../structgmx_1_1pairHash.xhtml', 1, 'gmx']]],\n     ['pairlist_2ecpp_42', ['pairlist.cpp', ['../tests_2pairlist_8cpp.xhtml', 1, '']]],\n     ['pairlist_5fimask_2eh_43', ['pairlist_imask.h', ['../pairlist__imask_8h.xhtml', 1, '']]],\n     ['pairlist_5fsimd_5fkernel_2ecpp_44', ['pairlist_simd_kernel.cpp', ['../pairlist__simd__kernel_8cpp.xhtml', 1, '']]],\n     ['pairlist_5fsimd_5fkernel_2eh_45', ['pairlist_simd_kernel.h', ['../pairlist__simd__kernel_8h.xhtml', 1, '']]],\n     ['pairlist_5ftuning_2ecpp_46', ['pairlist_tuning.cpp', ['../pairlist__tuning_8cpp.xhtml', 1, '']]],\n     ['pairlist_5ftuning_2eh_47', ['pairlist_tuning.h', ['../pairlist__tuning_8h.xhtml', 1, '']]],\n-    ['pairlistcutoff_48', ['pairlistcutoff', ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a99a1005d4246403b05b8dee487944485', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::pairlistCutoff'],\n-        ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#a2023ee62d6b1a45f5cc8bce187330699', 1, 'gmx::NbnxmKernelBenchOptions::pairlistCutoff']\n+    ['pairlistcutoff_48', ['pairlistcutoff', ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#a2023ee62d6b1a45f5cc8bce187330699', 1, 'gmx::NbnxmKernelBenchOptions::pairlistCutoff'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a99a1005d4246403b05b8dee487944485', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::pairlistCutoff']\n     ]],\n     ['pairlistinnerradius_49', ['pairlistInnerRadius', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a51c4a118964f4b5213facfd765f76243', 1, 'gmx::nonbonded_verlet_t']]],\n     ['pairlistissimple_50', ['pairlistIsSimple', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a26c1965627a134ffaf8dc77448ae7f43', 1, 'gmx::nonbonded_verlet_t']]],\n     ['pairlistouterradius_51', ['pairlistOuterRadius', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a6d5f189da301555a408b19e4b782eb15', 1, 'gmx::nonbonded_verlet_t']]],\n     ['pairlistparams_52', ['pairlistparams', ['../structgmx_1_1PairlistParams.xhtml', 1, 'gmx::PairlistParams'],\n         ['../structgmx_1_1PairlistParams.xhtml#a5e50f9cb2a367fff511bb6fceb102545', 1, 'gmx::PairlistParams::PairlistParams()']\n     ]],\n     ['pairlistparams_2ecpp_53', ['pairlistparams.cpp', ['../pairlistparams_8cpp.xhtml', 1, '']]],\n     ['pairlistparams_2eh_54', ['pairlistparams.h', ['../pairlistparams_8h.xhtml', 1, '']]],\n     ['pairlistset_55', ['pairlistset', ['../classgmx_1_1PairlistSets.xhtml#a0f73ad8dba4b6b59d20f9488611e1efc', 1, 'gmx::PairlistSets::pairlistSet()'],\n-        ['../classgmx_1_1PairlistSet.xhtml#ae43d2e1d2818c66c47426aa57f40c09b', 1, 'gmx::PairlistSet::PairlistSet()'],\n-        ['../classgmx_1_1PairlistSet.xhtml', 1, 'gmx::PairlistSet']\n+        ['../classgmx_1_1PairlistSet.xhtml', 1, 'gmx::PairlistSet'],\n+        ['../classgmx_1_1PairlistSet.xhtml#ae43d2e1d2818c66c47426aa57f40c09b', 1, 'gmx::PairlistSet::PairlistSet()']\n     ]],\n     ['pairlistset_2ecpp_56', ['pairlistset.cpp', ['../pairlistset_8cpp.xhtml', 1, '']]],\n     ['pairlistset_2eh_57', ['pairlistset.h', ['../pairlistset_8h.xhtml', 1, '']]],\n-    ['pairlistsets_58', ['pairlistsets', ['../structgmx_1_1nonbonded__verlet__t.xhtml#aeb0b1a81cdebaac68841abd89635e084', 1, 'gmx::nonbonded_verlet_t::pairlistSets()'],\n-        ['../classgmx_1_1PairlistSets.xhtml', 1, 'gmx::PairlistSets'],\n-        ['../classgmx_1_1PairlistSets.xhtml#a9375364a83138eae955b23cd199fd891', 1, 'gmx::PairlistSets::PairlistSets()']\n+    ['pairlistsets_58', ['pairlistsets', ['../classgmx_1_1PairlistSets.xhtml#a9375364a83138eae955b23cd199fd891', 1, 'gmx::PairlistSets::PairlistSets()'],\n+        ['../structgmx_1_1nonbonded__verlet__t.xhtml#aeb0b1a81cdebaac68841abd89635e084', 1, 'gmx::nonbonded_verlet_t::pairlistSets()'],\n+        ['../classgmx_1_1PairlistSets.xhtml', 1, 'gmx::PairlistSets']\n     ]],\n     ['pairlistsets_2eh_59', ['pairlistsets.h', ['../pairlistsets_8h.xhtml', 1, '']]],\n-    ['pairlisttype_60', ['pairlisttype', ['../namespacegmx.xhtml#a988b986d35cacb4d435767ea6c57a0b5', 1, 'gmx::PairlistType'],\n-        ['../structgmx_1_1PairlistParams.xhtml#a2c83e42e8b3694d16f22bf12c5d9f7e2', 1, 'gmx::PairlistParams::pairlistType']\n+    ['pairlisttype_60', ['pairlisttype', ['../structgmx_1_1PairlistParams.xhtml#a2c83e42e8b3694d16f22bf12c5d9f7e2', 1, 'gmx::PairlistParams::pairlistType'],\n+        ['../namespacegmx.xhtml#a988b986d35cacb4d435767ea6c57a0b5', 1, 'gmx::PairlistType']\n     ]],\n     ['pairlisttype_5f_61', ['pairlistType_', ['../structgmx_1_1Grid_1_1Geometry.xhtml#a8ded14d0f33cf006304ac9a707cbef4a', 1, 'gmx::Grid::Geometry']]],\n     ['pairlistwork_2ecpp_62', ['pairlistwork.cpp', ['../pairlistwork_8cpp.xhtml', 1, '']]],\n     ['pairlistwork_2eh_63', ['pairlistwork.h', ['../pairlistwork_8h.xhtml', 1, '']]],\n     ['pairs_64', ['Pairs', ['../classListedForces.xhtml#a73e4fa54dfd332da42036d5ae893da47aa07a589a90362b3346324844a3ad87ff', 1, 'ListedForces']]],\n     ['pairs_2ecpp_65', ['pairs.cpp', ['../tests_2pairs_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../pairs_8cpp.xhtml', 1, '(Global Namespace)']\n@@ -110,51 +110,51 @@\n     ]],\n     ['pairsearch_2ecpp_68', ['pairsearch.cpp', ['../pairsearch_8cpp.xhtml', 1, '']]],\n     ['pairsearch_2eh_69', ['pairsearch.h', ['../pairsearch_8h.xhtml', 1, '']]],\n     ['pairsearchcoordinates_70', ['pairSearchCoordinates', ['../classanonymous__namespace_02minimize_8cpp_03_1_1EnergyEvaluator.xhtml#af18643a5c0d8729b32e688d45fd7f8ca', 1, 'anonymous_namespace{minimize.cpp}::EnergyEvaluator']]],\n     ['pairsearchwork_71', ['PairsearchWork', ['../structgmx_1_1PairsearchWork.xhtml', 1, 'gmx']]],\n     ['paragraphbreak_72', ['paragraphBreak', ['../classgmx_1_1HelpWriterContext.xhtml#a6c24ca1470b3addda69ae236a6ea66b2', 1, 'gmx::HelpWriterContext']]],\n     ['parallel_5f3dfft_5fexecute_5fgpu_5fwrapper_73', ['parallel_3dfft_execute_gpu_wrapper', ['../pme__gpu_8cpp.xhtml#a13b15b5d3a7003ff0dfdba02aadbc97e', 1, 'pme_gpu.cpp']]],\n-    ['parallelconsistencyerror_74', ['parallelconsistencyerror', ['../classgmx_1_1ParallelConsistencyError.xhtml', 1, 'gmx::ParallelConsistencyError'],\n-        ['../classgmx_1_1ParallelConsistencyError.xhtml#a30850fa25d3059fa861607dd0eb20bd2', 1, 'gmx::ParallelConsistencyError::ParallelConsistencyError()']\n+    ['parallelconsistencyerror_74', ['parallelconsistencyerror', ['../classgmx_1_1ParallelConsistencyError.xhtml#a30850fa25d3059fa861607dd0eb20bd2', 1, 'gmx::ParallelConsistencyError::ParallelConsistencyError()'],\n+        ['../classgmx_1_1ParallelConsistencyError.xhtml', 1, 'gmx::ParallelConsistencyError']\n     ]],\n     ['paralleldatastarted_75', ['paralleldatastarted', ['../classgmx_1_1IAnalysisDataModule.xhtml#aeca0c095b7f31aec0f58643bed0e0895', 1, 'gmx::IAnalysisDataModule::parallelDataStarted()'],\n         ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#ae58dd25d11bc02bd4af8b7f36df62edf', 1, 'gmx::AnalysisDataModuleParallel::parallelDataStarted()'],\n         ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#a3d06d76f51b9e41e945a997b21efd392', 1, 'gmx::AnalysisDataSimpleHistogramModule::parallelDataStarted()'],\n         ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#aef9b177d826d8afe625be7056ef2c607', 1, 'gmx::AnalysisDataWeightedHistogramModule::parallelDataStarted()'],\n         ['../classgmx_1_1AnalysisDataProxy.xhtml#af4720264b81a508876c8e21731585ab0', 1, 'gmx::AnalysisDataProxy::parallelDataStarted()']\n     ]],\n     ['parallelizable_20handling_20of_20output_20data_20analysisdata_76', ['Parallelizable Handling of Output Data (analysisdata)', ['../group__module__analysisdata.xhtml', 1, '']]],\n     ['parallelization_77', ['Parallelization', ['../page_analysisdata.xhtml#section_analysisdata_parallelization', 1, '']]],\n     ['parallelization_20over_20mpi_78', ['Spatial domain decomposition (for parallelization over MPI)', ['../group__module__domdec.xhtml', 1, '']]],\n     ['parallelizationfactor_79', ['parallelizationFactor', ['../classgmx_1_1AnalysisDataParallelOptions.xhtml#ad581353e29513839c7ab04f429f50b61', 1, 'gmx::AnalysisDataParallelOptions']]],\n     ['paralleloptions_2eh_80', ['paralleloptions.h', ['../paralleloptions_8h.xhtml', 1, '']]],\n     ['parallelselection_81', ['parallelSelection', ['../classgmx_1_1TrajectoryAnalysisModuleData.xhtml#a4e23dbf4cfd2554ac011664b49c1c7e0', 1, 'gmx::TrajectoryAnalysisModuleData']]],\n     ['parallelselections_82', ['parallelSelections', ['../classgmx_1_1TrajectoryAnalysisModuleData.xhtml#a4ffe3dec6ef34ae7e6af7a46b9fc7d0b', 1, 'gmx::TrajectoryAnalysisModuleData']]],\n-    ['param_83', ['param', ['../classgmx_1_1UniformRealDistribution.xhtml#a267faab6d4cd2e017603fe0f73500c38', 1, 'gmx::UniformRealDistribution::param()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ace6c727298fe514a14a114f41d00e206', 1, 'gmx::TabulatedNormalDistribution::param()'],\n+    ['param_83', ['param', ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ace6c727298fe514a14a114f41d00e206', 1, 'gmx::TabulatedNormalDistribution::param()'],\n+        ['../classgmx_1_1UniformIntDistribution.xhtml#a843c35d5997b5075c35125a57cd6b937', 1, 'gmx::UniformIntDistribution::param()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#adaa8c7d5f4803f33e80d1811aa0af1f8', 1, 'gmx::NormalDistribution::param()'],\n         ['../classgmx_1_1SelectionTreeElement.xhtml#a0b4956164b6ed61094a550099fa90d3b', 1, 'gmx::SelectionTreeElement::param'],\n-        ['../structgmx__ana__selmethod__t.xhtml#afd48ccc940b2c37d46c65bbeb5fb7ff3', 1, 'gmx_ana_selmethod_t::param'],\n-        ['../classgmx_1_1ExponentialDistribution.xhtml#ac5071065401d78716721b2d8512b9f75', 1, 'gmx::ExponentialDistribution::param()'],\n         ['../classgmx_1_1GammaDistribution.xhtml#a35f0e16a9da71056786953c5095ae334', 1, 'gmx::GammaDistribution::param()'],\n-        ['../classgmx_1_1UniformIntDistribution.xhtml#a843c35d5997b5075c35125a57cd6b937', 1, 'gmx::UniformIntDistribution::param()']\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#a267faab6d4cd2e017603fe0f73500c38', 1, 'gmx::UniformRealDistribution::param()'],\n+        ['../classgmx_1_1ExponentialDistribution.xhtml#ac5071065401d78716721b2d8512b9f75', 1, 'gmx::ExponentialDistribution::param()'],\n+        ['../structgmx__ana__selmethod__t.xhtml#afd48ccc940b2c37d46c65bbeb5fb7ff3', 1, 'gmx_ana_selmethod_t::param']\n     ]],\n-    ['param_5ftype_84', ['param_type', ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml#a945429fd633cd59c2850bf7cd70d88d5', 1, 'gmx::GammaDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#a479bbfe6aea453e1b93fb6c46b2a586a', 1, 'gmx::NormalDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml#a6aa16740324937c7444c04eb52ed1a2a', 1, 'gmx::TabulatedNormalDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a3c7af41da301591eda86b7f17f68d5e2', 1, 'gmx::UniformIntDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a075c414de6d852b230fcf3090828c0ae', 1, 'gmx::UniformRealDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml', 1, 'gmx::TabulatedNormalDistribution&lt; RealType, tableBits &gt;::param_type'],\n-        ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml#a9da3288cf64135c00f1d8b4f9886e6bc', 1, 'gmx::ExponentialDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml', 1, 'gmx::NormalDistribution&lt; RealType &gt;::param_type'],\n+    ['param_5ftype_84', ['param_type', ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml', 1, 'gmx::TabulatedNormalDistribution&lt; RealType, tableBits &gt;::param_type'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;::param_type'],\n         ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml', 1, 'gmx::UniformIntDistribution&lt; IntType &gt;::param_type'],\n-        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml', 1, 'gmx::GammaDistribution&lt; RealType &gt;::param_type'],\n         ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml', 1, 'gmx::ExponentialDistribution&lt; RealType &gt;::param_type'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;::param_type']\n+        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml', 1, 'gmx::GammaDistribution&lt; RealType &gt;::param_type'],\n+        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml', 1, 'gmx::NormalDistribution&lt; RealType &gt;::param_type'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a075c414de6d852b230fcf3090828c0ae', 1, 'gmx::UniformRealDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a3c7af41da301591eda86b7f17f68d5e2', 1, 'gmx::UniformIntDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml#a6aa16740324937c7444c04eb52ed1a2a', 1, 'gmx::TabulatedNormalDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#a479bbfe6aea453e1b93fb6c46b2a586a', 1, 'gmx::NormalDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml#a945429fd633cd59c2850bf7cd70d88d5', 1, 'gmx::GammaDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml#a9da3288cf64135c00f1d8b4f9886e6bc', 1, 'gmx::ExponentialDistribution::param_type::param_type()']\n     ]],\n     ['parameterizedmdruntestfixture_85', ['ParameterizedMdrunTestFixture', ['../classgmx_1_1test_1_1ParameterizedMdrunTestFixture.xhtml', 1, 'gmx::test']]],\n     ['parameters_86', ['parameters', ['../page_module_selection_custom.xhtml#selmethods_params', 1, 'Defining parameters'],\n         ['../namespacegmx_1_1test_1_1anonymous__namespace_02pull__rotation_8cpp_03.xhtml#af94b35600673f3744fbf6caec27ac27c', 1, 'gmx::test::anonymous_namespace{pull_rotation.cpp}::Parameters'],\n         ['../classgmx_1_1QMMMOptions.xhtml#a087e8b86cad35f25abf237869a360434', 1, 'gmx::QMMMOptions::parameters()'],\n         ['../structgmx_1_1test_1_1anonymous__namespace_02virtualsites_8cpp_03_1_1VirtualSiteTest_1_1VirtualSite.xhtml#adf8f8c60fbcbe9df7463a22e5180056e', 1, 'gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite::parameters'],\n         ['../page_mdmodules.xhtml#autotoc_md7', 1, 'Storing non-mdp option module parameters']\n@@ -433,27 +433,27 @@\n     ['plumedmoduleinfo_265', ['PlumedModuleInfo', ['../structgmx_1_1PlumedModuleInfo.xhtml', 1, 'gmx']]],\n     ['plumedoptions_2ecpp_266', ['plumedoptions.cpp', ['../plumedOptions_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2plumedOptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['plumedoptions_2eh_267', ['plumedOptions.h', ['../plumedOptions_8h.xhtml', 1, '']]],\n     ['plumedtestutils_2ecpp_268', ['plumedTestUtils.cpp', ['../plumedTestUtils_8cpp.xhtml', 1, '']]],\n     ['plumedtestutils_2eh_269', ['plumedTestUtils.h', ['../plumedTestUtils_8h.xhtml', 1, '']]],\n-    ['pmalloc_270', ['pmalloc', ['../pmalloc__hip_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc_hip.cpp'],\n-        ['../pmalloc_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc.cpp'],\n-        ['../pmalloc__sycl_8cpp.xhtml#a3600a3a1589d7849f5b2f5ee1b54a017', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *deviceContext):&#160;pmalloc_sycl.cpp']\n+    ['pmalloc_270', ['pmalloc', ['../pmalloc__sycl_8cpp.xhtml#a3600a3a1589d7849f5b2f5ee1b54a017', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *deviceContext):&#160;pmalloc_sycl.cpp'],\n+        ['../pmalloc__hip_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc_hip.cpp'],\n+        ['../pmalloc_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc.cpp']\n     ]],\n     ['pmalloc_2ecpp_271', ['pmalloc.cpp', ['../pmalloc_8cpp.xhtml', 1, '']]],\n     ['pmalloc_2eh_272', ['pmalloc.h', ['../pmalloc_8h.xhtml', 1, '']]],\n     ['pmalloc_5fhip_2ecpp_273', ['pmalloc_hip.cpp', ['../pmalloc__hip_8cpp.xhtml', 1, '']]],\n     ['pmalloc_5fsycl_2ecpp_274', ['pmalloc_sycl.cpp', ['../pmalloc__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_275', ['pme', ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme'],\n         ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme']\n     ]],\n-    ['pme_2ecpp_276', ['pme.cpp', ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../pme_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['pme_2ecpp_276', ['pme.cpp', ['../pme_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pme_2eh_277', ['pme.h', ['../pme_8h.xhtml', 1, '']]],\n     ['pme_5fcalc_5fpidx_278', ['pme_calc_pidx', ['../pme__redistribute_8cpp.xhtml#a7ecc9aef79380a045871dc5e00190695', 1, 'pme_redistribute.cpp']]],\n     ['pme_5fcalc_5fpidx_5fwrapper_279', ['pme_calc_pidx_wrapper', ['../pme__redistribute_8cpp.xhtml#a91aacccf9c8906e7a5d4e26131820302', 1, 'pme_redistribute.cpp']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_2eh_280', ['pme_coordinate_receiver_gpu.h', ['../pme__coordinate__receiver__gpu_8h.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2ecpp_281', ['pme_coordinate_receiver_gpu_impl.cpp', ['../pme__coordinate__receiver__gpu__impl_8cpp.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2eh_282', ['pme_coordinate_receiver_gpu_impl.h', ['../pme__coordinate__receiver__gpu__impl_8h.xhtml', 1, '']]],\n@@ -466,56 +466,56 @@\n     ['pme_5fforce_5fsender_5fgpu_5fimpl_5fgpu_5fsycl_2ecpp_289', ['pme_force_sender_gpu_impl_gpu_sycl.cpp', ['../pme__force__sender__gpu__impl__gpu__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgather_5fsycl_2ecpp_290', ['pme_gather_sycl.cpp', ['../pme__gather__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgather_5fsycl_2eh_291', ['pme_gather_sycl.h', ['../pme__gather__sycl_8h.xhtml', 1, '']]],\n     ['pme_5fget_5fpinning_5fpolicy_292', ['pme_get_pinning_policy', ['../pme_8cpp.xhtml#ace2ad200713ffbae9c71d92d92a83d6f', 1, 'pme_get_pinning_policy():&#160;pme.cpp'],\n         ['../pme_8h.xhtml#ace2ad200713ffbae9c71d92d92a83d6f', 1, 'pme_get_pinning_policy():&#160;pme.cpp']\n     ]],\n     ['pme_5fgpu_2ecpp_293', ['pme_gpu.cpp', ['../pme__gpu_8cpp.xhtml', 1, '']]],\n-    ['pme_5fgpu_5f3dfft_294', ['pme_gpu_3dfft', ['../pme__gpu__internal_8cpp.xhtml#a903364732f9d5fe033039714e4aef8dc', 1, 'pme_gpu_3dfft(const PmeGpu *pmeGpu, gmx_fft_direction dir, const int grid_index):&#160;pme_gpu_internal.cpp'],\n+    ['pme_5fgpu_5f3dfft_294', ['pme_gpu_3dfft', ['../pme__gpu__hip__stubs_8cpp.xhtml#a1f64e263e5d5cfb108695dce2049acf6', 1, 'pme_gpu_3dfft(const PmeGpu *, enum gmx_fft_direction, int):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a63b83c7907c118ec820a554d4d1e9968', 1, 'pme_gpu_3dfft(const PmeGpu *pmeGpu, enum gmx_fft_direction direction, int gridIndex=0):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a1f64e263e5d5cfb108695dce2049acf6', 1, 'pme_gpu_3dfft(const PmeGpu *, enum gmx_fft_direction, int):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8cpp.xhtml#a903364732f9d5fe033039714e4aef8dc', 1, 'pme_gpu_3dfft(const PmeGpu *pmeGpu, gmx_fft_direction dir, const int grid_index):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5factive_295', ['pme_gpu_active', ['../pme__gpu_8cpp.xhtml#a06b866a69f90c5f4b92716d25944e480', 1, 'pme_gpu.cpp']]],\n     ['pme_5fgpu_5falloc_5fenergy_5fvirial_296', ['pme_gpu_alloc_energy_virial', ['../pme__gpu__internal_8cpp.xhtml#a6857d534c4c31a5f768838378c691464', 1, 'pme_gpu_alloc_energy_virial(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a6857d534c4c31a5f768838378c691464', 1, 'pme_gpu_alloc_energy_virial(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcalculate_5fsplines_2eh_297', ['pme_gpu_calculate_splines.h', ['../pme__gpu__calculate__splines_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fcalculate_5fsplines_5fsycl_2eh_298', ['pme_gpu_calculate_splines_sycl.h', ['../pme__gpu__calculate__splines__sycl_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fcheck_5frestrictions_299', ['pme_gpu_check_restrictions', ['../pme_8cpp.xhtml#a30f29ab01f4617cea28a55ee8552ee6a', 1, 'pme.cpp']]],\n     ['pme_5fgpu_5fclear_5fenergy_5fvirial_300', ['pme_gpu_clear_energy_virial', ['../pme__gpu__hip__stubs_8cpp.xhtml#a92eb8641bfe3f99dd4bd3e7061022817', 1, 'pme_gpu_clear_energy_virial(const PmeGpu *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a0ba3a7ad94f1ef0b322c0f86c5022e67', 1, 'pme_gpu_clear_energy_virial(const PmeGpu *pmeGpu, const bool gpuGraphWithSeparatePmeRank):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a409d3aa62caba5140ad6fed223eb2707', 1, 'pme_gpu_clear_energy_virial(const PmeGpu *pmeGpu, bool gpuGraphWithSeparatePmeRank):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fclear_5fgrids_301', ['pme_gpu_clear_grids', ['../pme__gpu__hip__stubs_8cpp.xhtml#a3ae2f70dd55ebfd5c00d0e13706d9730', 1, 'pme_gpu_clear_grids(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#adad2de39f6b338c2b757f7ead3e06c19', 1, 'pme_gpu_clear_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#adad2de39f6b338c2b757f7ead3e06c19', 1, 'pme_gpu_clear_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fclear_5fgrids_301', ['pme_gpu_clear_grids', ['../pme__gpu__internal_8cpp.xhtml#adad2de39f6b338c2b757f7ead3e06c19', 1, 'pme_gpu_clear_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#adad2de39f6b338c2b757f7ead3e06c19', 1, 'pme_gpu_clear_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a3ae2f70dd55ebfd5c00d0e13706d9730', 1, 'pme_gpu_clear_grids(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fconstants_2eh_302', ['pme_gpu_constants.h', ['../pme__gpu__constants_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fcopy_5fcommon_5fdata_5ffrom_303', ['pme_gpu_copy_common_data_from', ['../pme__gpu__internal_8cpp.xhtml#a96a23ba273d3788baab82d8c71854663', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5fcopy_5finput_5fforces_304', ['pme_gpu_copy_input_forces', ['../pme__gpu__internal_8cpp.xhtml#a5db280d2fe0d5ea1ab7784b55d7b5326', 1, 'pme_gpu_copy_input_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5db280d2fe0d5ea1ab7784b55d7b5326', 1, 'pme_gpu_copy_input_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcopy_5finput_5fgather_5fatom_5fdata_305', ['pme_gpu_copy_input_gather_atom_data', ['../pme__gpu__internal_8cpp.xhtml#a0f637186d789670a691718b6e2093dcb', 1, 'pme_gpu_copy_input_gather_atom_data(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a0f637186d789670a691718b6e2093dcb', 1, 'pme_gpu_copy_input_gather_atom_data(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcopy_5finput_5fgather_5fgrid_306', ['pme_gpu_copy_input_gather_grid', ['../pme__gpu__internal_8cpp.xhtml#a81cfe2ee3d481faa62f8bb0c19e7d576', 1, 'pme_gpu_copy_input_gather_grid(const PmeGpu *pmeGpu, const float *h_grid, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aee24c48e3382216a39464d7737472dba', 1, 'pme_gpu_copy_input_gather_grid(const PmeGpu *pmeGpu, const float *h_grid, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fcopy_5foutput_5fforces_307', ['pme_gpu_copy_output_forces', ['../pme__gpu__internal_8cpp.xhtml#a6aa284d4700ed885ff6fbcf30028edec', 1, 'pme_gpu_copy_output_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a6aa284d4700ed885ff6fbcf30028edec', 1, 'pme_gpu_copy_output_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5fcopy_5foutput_5fforces_307', ['pme_gpu_copy_output_forces', ['../pme__gpu__internal_8h.xhtml#a6aa284d4700ed885ff6fbcf30028edec', 1, 'pme_gpu_copy_output_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a6aa284d4700ed885ff6fbcf30028edec', 1, 'pme_gpu_copy_output_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcopy_5foutput_5fspread_5fatom_5fdata_308', ['pme_gpu_copy_output_spread_atom_data', ['../pme__gpu__internal_8cpp.xhtml#a5eda5784aafed0ed566c599d35eb5ad9', 1, 'pme_gpu_copy_output_spread_atom_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5eda5784aafed0ed566c599d35eb5ad9', 1, 'pme_gpu_copy_output_spread_atom_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcopy_5foutput_5fspread_5fgrid_309', ['pme_gpu_copy_output_spread_grid', ['../pme__gpu__internal_8cpp.xhtml#a04419748e0f03bdc420c0a03df335ea6', 1, 'pme_gpu_copy_output_spread_grid(const PmeGpu *pmeGpu, float *h_grid, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a3a2ac9f347d7bdd0bb806cdc26a570f0', 1, 'pme_gpu_copy_output_spread_grid(const PmeGpu *pmeGpu, float *h_grid, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fdestroy_310', ['pme_gpu_destroy', ['../pme__gpu__internal_8h.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fdestroy_310', ['pme_gpu_destroy', ['../pme__gpu__hip__stubs_8cpp.xhtml#af165b87171cc0c262dd34bf71944277c', 1, 'pme_gpu_destroy(PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#af165b87171cc0c262dd34bf71944277c', 1, 'pme_gpu_destroy(PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fdestroy_5f3dfft_311', ['pme_gpu_destroy_3dfft', ['../pme__gpu__internal_8h.xhtml#a04c25cffa052c81d0c7b201e40da4010', 1, 'pme_gpu_destroy_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a04c25cffa052c81d0c7b201e40da4010', 1, 'pme_gpu_destroy_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffetch_5ftiming_5fevent_312', ['pme_gpu_fetch_timing_event', ['../pme__gpu__internal_8cpp.xhtml#a6796958266d860e837119e6a0d4e6b99', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5ffree_5fbspline_5fvalues_313', ['pme_gpu_free_bspline_values', ['../pme__gpu__internal_8cpp.xhtml#a16accf532e5ae00a844b2ae0ba70e164', 1, 'pme_gpu_free_bspline_values(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a16accf532e5ae00a844b2ae0ba70e164', 1, 'pme_gpu_free_bspline_values(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n@@ -525,131 +525,131 @@\n     ]],\n     ['pme_5fgpu_5ffree_5fenergy_5fvirial_315', ['pme_gpu_free_energy_virial', ['../pme__gpu__internal_8cpp.xhtml#abf81c931d4564000972c2c860ac5e64b', 1, 'pme_gpu_free_energy_virial(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#abf81c931d4564000972c2c860ac5e64b', 1, 'pme_gpu_free_energy_virial(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fforces_316', ['pme_gpu_free_forces', ['../pme__gpu__internal_8cpp.xhtml#a59705d17c95ae26dcf4e5c9d3cad7686', 1, 'pme_gpu_free_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a59705d17c95ae26dcf4e5c9d3cad7686', 1, 'pme_gpu_free_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5ffree_5ffract_5fshifts_317', ['pme_gpu_free_fract_shifts', ['../pme__gpu__internal_8cpp.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5ffree_5ffract_5fshifts_317', ['pme_gpu_free_fract_shifts', ['../pme__gpu__internal_8h.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fgrid_5findices_318', ['pme_gpu_free_grid_indices', ['../pme__gpu__internal_8h.xhtml#a2686c0593219709805c75318dc6d8f0b', 1, 'pme_gpu_free_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a2686c0593219709805c75318dc6d8f0b', 1, 'pme_gpu_free_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fgrids_319', ['pme_gpu_free_grids', ['../pme__gpu__internal_8cpp.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5ffree_5fhaloexchange_320', ['pme_gpu_free_haloexchange', ['../pme__gpu__internal_8cpp.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5ffree_5fhaloexchange_320', ['pme_gpu_free_haloexchange', ['../pme__gpu__internal_8h.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5ffree_5fspline_5fdata_321', ['pme_gpu_free_spline_data', ['../pme__gpu__internal_8cpp.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5ffree_5fspline_5fdata_321', ['pme_gpu_free_spline_data', ['../pme__gpu__internal_8h.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fgather_322', ['pme_gpu_gather', ['../pme__gpu__hip__stubs_8cpp.xhtml#abcffdc1b9fbdfef8bce49084da15a61d', 1, 'pme_gpu_gather(PmeGpu *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, float, gmx_wallcycle *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a8512a76e91d97929b8c346f9b66641f2', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, const float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a80ddac599f7d29ad255933dfa18a1c77', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fgather_322', ['pme_gpu_gather', ['../pme__gpu__internal_8h.xhtml#a80ddac599f7d29ad255933dfa18a1c77', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#abcffdc1b9fbdfef8bce49084da15a61d', 1, 'pme_gpu_gather(PmeGpu *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, float, gmx_wallcycle *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a8512a76e91d97929b8c346f9b66641f2', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, const float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fatom_5fdata_5fblock_5fsize_323', ['pme_gpu_get_atom_data_block_size', ['../pme__gpu__hip__stubs_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_internal.cpp'],\n+    ['pme_5fgpu_5fget_5fatom_5fdata_5fblock_5fsize_323', ['pme_gpu_get_atom_data_block_size', ['../pme__gpu__internal_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fatoms_5fper_5fwarp_324', ['pme_gpu_get_atoms_per_warp', ['../pme__gpu__internal_8cpp.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a2e649b5d018f122d49bdfcb6cc6fdad7', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fget_5fatoms_5fper_5fwarp_324', ['pme_gpu_get_atoms_per_warp', ['../pme__gpu__hip__stubs_8cpp.xhtml#a2e649b5d018f122d49bdfcb6cc6fdad7', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fblock_5fsize_325', ['pme_gpu_get_block_size', ['../pme_8h.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fget_5fblock_5fsize_325', ['pme_gpu_get_block_size', ['../pme__gpu_8cpp.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fdevice_5ff_326', ['pme_gpu_get_device_f', ['../pme_8h.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fget_5fdevice_5ff_326', ['pme_gpu_get_device_f', ['../pme__gpu_8cpp.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5ff_5fready_5fsynchronizer_327', ['pme_gpu_get_f_ready_synchronizer', ['../pme_8h.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fget_5ff_5fready_5fsynchronizer_327', ['pme_gpu_get_f_ready_synchronizer', ['../pme__gpu_8cpp.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fforces_5fready_5fsynchronizer_328', ['pme_gpu_get_forces_ready_synchronizer', ['../pme__gpu__hip__stubs_8cpp.xhtml#a05aba625a13a6a56b6500455c5c694d0', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fget_5fforces_5fready_5fsynchronizer_328', ['pme_gpu_get_forces_ready_synchronizer', ['../pme__gpu__internal_8h.xhtml#a7ef8d526f95f670f71964754f4284b63', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a7ef8d526f95f670f71964754f4284b63', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a7ef8d526f95f670f71964754f4284b63', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a05aba625a13a6a56b6500455c5c694d0', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fkernel_5fparams_5fbase_5fptr_329', ['pme_gpu_get_kernel_params_base_ptr', ['../pme__gpu__internal_8cpp.xhtml#aa2ad1e440d1af983cbfd439174464b49', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5fget_5fkernelparam_5fforces_330', ['pme_gpu_get_kernelparam_forces', ['../pme__gpu__internal_8cpp.xhtml#a5d2d5b755227bfbf5462f6689ca810bf', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a5d2d5b755227bfbf5462f6689ca810bf', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a55d139b61b461eb90585ffea67a5e9fe', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a55d139b61b461eb90585ffea67a5e9fe', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a5d2d5b755227bfbf5462f6689ca810bf', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5freal_5fgrid_5fsizes_331', ['pme_gpu_get_real_grid_sizes', ['../pme__gpu__hip__stubs_8cpp.xhtml#a83c4008ef73685e647a9339e7041f897', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *, gmx::IVec *, gmx::IVec *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a7ba882d2de50fa957af00828162dd06e', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *pmeGpu, gmx::IVec *gridSize, gmx::IVec *paddedGridSize):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a7ba882d2de50fa957af00828162dd06e', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *pmeGpu, gmx::IVec *gridSize, gmx::IVec *paddedGridSize):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5ftimings_332', ['pme_gpu_get_timings', ['../pme_8h.xhtml#aadcdbd368ce25a9899c3cab4ec895cba', 1, 'pme_gpu_get_timings(const gmx_pme_t *pme, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#aadcdbd368ce25a9899c3cab4ec895cba', 1, 'pme_gpu_get_timings(const gmx_pme_t *pme, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu.cpp'],\n         ['../pme__gpu__hip__stubs_8cpp.xhtml#a85f2f2d0483eaf2d505ea368d4a46b2f', 1, 'pme_gpu_get_timings(const PmeGpu *, gmx_wallclock_gpu_pme_t *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#ac600d44fbeb29e467155b1b193410908', 1, 'pme_gpu_get_timings(const PmeGpu *pmeGpu, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8h.xhtml#ac600d44fbeb29e467155b1b193410908', 1, 'pme_gpu_get_timings(const PmeGpu *pmeGpu, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fgetenergyandvirial_333', ['pme_gpu_getenergyandvirial', ['../pme__gpu__hip__stubs_8cpp.xhtml#a824970c42d175c13b7da6b79724e52f1', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;, float, PmeOutput *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#ad805493968044b8ea20ca896df57cee6', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;pme, const float lambda, PmeOutput *output):&#160;pme_gpu_internal.cpp'],\n+    ['pme_5fgpu_5fgetenergyandvirial_333', ['pme_gpu_getenergyandvirial', ['../pme__gpu__internal_8cpp.xhtml#ad805493968044b8ea20ca896df57cee6', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;pme, const float lambda, PmeOutput *output):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a824970c42d175c13b7da6b79724e52f1', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;, float, PmeOutput *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a24c100588326826423d72c10d7d6a51a', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;pme, float lambda, PmeOutput *output):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fgetforceoutput_334', ['pme_gpu_getForceOutput', ['../pme__gpu__internal_8cpp.xhtml#a05a1d81709288e6ef5b2e6ad93fdd117', 1, 'pme_gpu_internal.cpp']]],\n-    ['pme_5fgpu_5fgetoutput_335', ['pme_gpu_getoutput', ['../pme__gpu__internal_8cpp.xhtml#acc224f03ba4e2b17d466220bf452c39c', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#aca95df16ac604534d23d6ce81dac2f14', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fgetoutput_335', ['pme_gpu_getoutput', ['../pme__gpu__internal_8h.xhtml#aca95df16ac604534d23d6ce81dac2f14', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#acc224f03ba4e2b17d466220bf452c39c', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__hip__stubs_8cpp.xhtml#a403d14364f55515b0b066319e3fb9081', 1, 'pme_gpu_getOutput(gmx_pme_t *, bool, real):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fgrid_2eh_336', ['pme_gpu_grid.h', ['../pme__gpu__grid_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fgrid_5fsycl_2ecpp_337', ['pme_gpu_grid_sycl.cpp', ['../pme__gpu__grid__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fhip_5fstubs_2ecpp_338', ['pme_gpu_hip_stubs.cpp', ['../pme__gpu__hip__stubs_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5finit_339', ['pme_gpu_init', ['../pme__gpu__internal_8cpp.xhtml#aef5228578c02553a77c64e4c9158dd32', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5finit_5finternal_340', ['pme_gpu_init_internal', ['../pme__gpu__internal_8cpp.xhtml#aed9a58810b26887c1710ecc3787b3e14', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5finternal_2ecpp_341', ['pme_gpu_internal.cpp', ['../pme__gpu__internal_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5finternal_2eh_342', ['pme_gpu_internal.h', ['../pme__gpu__internal_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5flaunch_5fcomplex_5ftransforms_343', ['pme_gpu_launch_complex_transforms', ['../pme_8h.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5flaunch_5fcomplex_5ftransforms_343', ['pme_gpu_launch_complex_transforms', ['../pme__gpu_8cpp.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5flaunch_5fgather_344', ['pme_gpu_launch_gather', ['../pme_8h.xhtml#a2a0db53484996329dcaf9b11adee65be', 1, 'pme.h']]],\n     ['pme_5fgpu_5flaunch_5fspread_345', ['pme_gpu_launch_spread', ['../pme_8h.xhtml#a01b11dfe5686b424b0593a42c5b89c57', 1, 'pme_gpu_launch_spread(gmx_pme_t *pme, GpuEventSynchronizer *xReadyOnDevice, gmx_wallcycle *wcycle, real lambdaQ, bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, bool useMdGpuGraph):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a946b49715f34db33df029618ccc0c158', 1, 'pme_gpu_launch_spread(gmx_pme_t *pme, GpuEventSynchronizer *xReadyOnDevice, gmx_wallcycle *wcycle, const real lambdaQ, const bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, const bool useMdGpuGraph):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fmixed_5fmode_5fsupports_5finput_346', ['pme_gpu_mixed_mode_supports_input', ['../pme_8h.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n-        ['../pme_8cpp.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n+    ['pme_5fgpu_5fmixed_5fmode_5fsupports_5finput_346', ['pme_gpu_mixed_mode_supports_input', ['../pme_8cpp.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n+        ['../pme_8h.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n     ]],\n     ['pme_5fgpu_5focl_5fstubs_2ecpp_347', ['pme_gpu_ocl_stubs.cpp', ['../pme__gpu__ocl__stubs_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprepare_5fcomputation_348', ['pme_gpu_prepare_computation', ['../pme_8h.xhtml#a7a08872ce2f6e3488eb69ba87e23653c', 1, 'pme_gpu_prepare_computation(gmx_pme_t *pme, const matrix box, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a7a08872ce2f6e3488eb69ba87e23653c', 1, 'pme_gpu_prepare_computation(gmx_pme_t *pme, const matrix box, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fprogram_2ecpp_349', ['pme_gpu_program.cpp', ['../pme__gpu__program_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_2eh_350', ['pme_gpu_program.h', ['../pme__gpu__program_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_5fimpl_2ecpp_351', ['pme_gpu_program_impl.cpp', ['../pme__gpu__program__impl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_5fimpl_2eh_352', ['pme_gpu_program_impl.h', ['../pme__gpu__program__impl_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_5fimpl_5fhip_2ecpp_353', ['pme_gpu_program_impl_hip.cpp', ['../pme__gpu__program__impl__hip_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_5fimpl_5focl_2ecpp_354', ['pme_gpu_program_impl_ocl.cpp', ['../pme__gpu__program__impl__ocl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fprogram_5fimpl_5fsycl_2ecpp_355', ['pme_gpu_program_impl_sycl.cpp', ['../pme__gpu__program__impl__sycl_8cpp.xhtml', 1, '']]],\n-    ['pme_5fgpu_5frealloc_5fand_5fcopy_5fbspline_5fvalues_356', ['pme_gpu_realloc_and_copy_bspline_values', ['../pme__gpu__internal_8h.xhtml#a2c7a5b7bfca0d09110c6956bf28cd819', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, int gridIndex=0):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#aca7595bc703f478dcd681ffd7bc1429a', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, const int gridIndex):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5frealloc_5fand_5fcopy_5fbspline_5fvalues_356', ['pme_gpu_realloc_and_copy_bspline_values', ['../pme__gpu__internal_8cpp.xhtml#aca7595bc703f478dcd681ffd7bc1429a', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a2c7a5b7bfca0d09110c6956bf28cd819', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fand_5fcopy_5ffract_5fshifts_357', ['pme_gpu_realloc_and_copy_fract_shifts', ['../pme__gpu__internal_8cpp.xhtml#abd6254378ab90de1dff115c61d0c9931', 1, 'pme_gpu_realloc_and_copy_fract_shifts(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#abd6254378ab90de1dff115c61d0c9931', 1, 'pme_gpu_realloc_and_copy_fract_shifts(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fand_5fcopy_5finput_5fcoefficients_358', ['pme_gpu_realloc_and_copy_input_coefficients', ['../pme__gpu__internal_8cpp.xhtml#aa8dd08c09a068f579a0b7fc93d4d50e6', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a67eb2fb88a118b6e01b2cbf034066b13', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fforces_359', ['pme_gpu_realloc_forces', ['../pme__gpu__internal_8cpp.xhtml#a5272eaf88e7b1110676df6cf6acc95e3', 1, 'pme_gpu_realloc_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5272eaf88e7b1110676df6cf6acc95e3', 1, 'pme_gpu_realloc_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5frealloc_5fgrid_5findices_360', ['pme_gpu_realloc_grid_indices', ['../pme__gpu__internal_8h.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5frealloc_5fgrid_5findices_360', ['pme_gpu_realloc_grid_indices', ['../pme__gpu__internal_8cpp.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fgrids_361', ['pme_gpu_realloc_grids', ['../pme__gpu__internal_8h.xhtml#a39b72f968b9907393e23b9d9ce37fd6d', 1, 'pme_gpu_realloc_grids(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a39b72f968b9907393e23b9d9ce37fd6d', 1, 'pme_gpu_realloc_grids(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5frealloc_5fspline_5fdata_362', ['pme_gpu_realloc_spline_data', ['../pme__gpu__internal_8h.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5frealloc_5fspline_5fdata_362', ['pme_gpu_realloc_spline_data', ['../pme__gpu__internal_8cpp.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5freduce_5foutputs_363', ['pme_gpu_reduce_outputs', ['../pme__gpu_8cpp.xhtml#aaf47ad78db265afaa89c4d7da47c193d', 1, 'pme_gpu.cpp']]],\n-    ['pme_5fgpu_5freinit_364', ['pme_gpu_reinit', ['../pme__gpu__internal_8h.xhtml#aa4521c86701bbc46046ef691c5c90a05', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, bool useMdGpuGraph):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a82a91a7b7a83fb239a435e436e6f0b45', 1, 'pme_gpu_reinit(gmx_pme_t *, const DeviceContext *, const DeviceStream *, const PmeGpuProgram *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a77a7dd7ff510e6ad00a349b5db7919ad', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, const bool useMdGpuGraph):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5freinit_364', ['pme_gpu_reinit', ['../pme__gpu__hip__stubs_8cpp.xhtml#a82a91a7b7a83fb239a435e436e6f0b45', 1, 'pme_gpu_reinit(gmx_pme_t *, const DeviceContext *, const DeviceStream *, const PmeGpuProgram *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a77a7dd7ff510e6ad00a349b5db7919ad', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, const bool useMdGpuGraph):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#aa4521c86701bbc46046ef691c5c90a05', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, bool useMdGpuGraph):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5freinit_5f3dfft_365', ['pme_gpu_reinit_3dfft', ['../pme__gpu__internal_8cpp.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5freinit_5fatoms_366', ['pme_gpu_reinit_atoms', ['../pme__gpu__hip__stubs_8cpp.xhtml#ae0628fe742af1d2bf49863997641b78c', 1, 'pme_gpu_reinit_atoms(PmeGpu *, int, const real *, const real *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a4df33a26719ac64f61e94b5ce01160a9', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, const int nAtoms, const real *chargesA, const real *chargesB):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a201b9116043f3496c6068c8f375c890b', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, int nAtoms, const real *chargesA, const real *chargesB=nullptr):&#160;pme_gpu_hip_stubs.cpp']\n@@ -658,116 +658,116 @@\n         ['../pme__gpu_8cpp.xhtml#a481cc886c2112861c0e1c0c89571ec78', 1, 'pme_gpu_reinit_computation(const gmx_pme_t *pme, const bool gpuGraphWithSeparatePmeRank, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a69066d5a6d2bd3cfd48c22a7da4fd88b', 1, 'pme_gpu_reinit_computation(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.h']\n     ]],\n     ['pme_5fgpu_5freinit_5fgrids_368', ['pme_gpu_reinit_grids', ['../pme__gpu__internal_8cpp.xhtml#a0f87f8ca2058ea113ad2bc7287682576', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5freinit_5fhaloexchange_369', ['pme_gpu_reinit_haloexchange', ['../pme__gpu__internal_8cpp.xhtml#a07838cae9a4635ee6df663e4bee521c8', 1, 'pme_gpu_reinit_haloexchange(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a07838cae9a4635ee6df663e4bee521c8', 1, 'pme_gpu_reinit_haloexchange(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5freinit_5ftimings_370', ['pme_gpu_reinit_timings', ['../pme__gpu__timings_8h.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5freinit_5ftimings_370', ['pme_gpu_reinit_timings', ['../pme__gpu__hip__stubs_8cpp.xhtml#a9c284dcfaf880ba6a57b6e687e891514', 1, 'pme_gpu_reinit_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a9c284dcfaf880ba6a57b6e687e891514', 1, 'pme_gpu_reinit_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__timings_8h.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5freset_5ftimings_371', ['pme_gpu_reset_timings', ['../pme_8h.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+    ['pme_5fgpu_5freset_5ftimings_371', ['pme_gpu_reset_timings', ['../pme__gpu__timings_8h.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n         ['../pme__gpu__hip__stubs_8cpp.xhtml#a5db4fbfad6df6fbe13005f4edfa15203', 1, 'pme_gpu_reset_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme_8h.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fselect_5fbest_5fperforming_5fpme_5fspreadgather_5fkernels_372', ['pme_gpu_select_best_performing_pme_spreadgather_kernels', ['../pme__gpu__internal_8cpp.xhtml#a9d51e813ca855b79f0c51e2afb0210f7', 1, 'pme_gpu_internal.cpp']]],\n-    ['pme_5fgpu_5fset_5fdevice_5fx_373', ['pme_gpu_set_device_x', ['../pme__gpu_8cpp.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp'],\n-        ['../pme_8h.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fset_5fdevice_5fx_373', ['pme_gpu_set_device_x', ['../pme_8h.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp'],\n+        ['../pme__gpu_8cpp.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fset_5fkernelparam_5fcoordinates_374', ['pme_gpu_set_kernelparam_coordinates', ['../pme__gpu__hip__stubs_8cpp.xhtml#aeff8c61bc59d380068266566e3299383', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *, DeviceBuffer&lt; gmx::RVec &gt;):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fset_5ftesting_375', ['pme_gpu_set_testing', ['../pme__gpu__internal_8h.xhtml#a09e861258a4869a92963dd6c30147491', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fsettings_376', ['pme_gpu_settings', ['../pme__gpu__internal_8h.xhtml#adf2d698f4198c98ac05fe914a77bc044', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fsettings_2eh_377', ['pme_gpu_settings.h', ['../pme__gpu__settings_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5fsolve_378', ['pme_gpu_solve', ['../pme__gpu__internal_8h.xhtml#af8d0dec13ce7987b901a14535dc3e8ba', 1, 'pme_gpu_solve(PmeGpu *pmeGpu, int gridIndex, t_complex *h_grid, GridOrdering gridOrdering, bool computeEnergyAndVirial):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fsolve_378', ['pme_gpu_solve', ['../pme__gpu__hip__stubs_8cpp.xhtml#af3bfad0b60a9efe624ab936507274ecc', 1, 'pme_gpu_solve(PmeGpu *, int, t_complex *, GridOrdering, bool):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a70b4c1a84efc404cce76070f3f3ce890', 1, 'pme_gpu_solve(PmeGpu *pmeGpu, const int gridIndex, t_complex *h_grid, GridOrdering gridOrdering, bool computeEnergyAndVirial):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#af3bfad0b60a9efe624ab936507274ecc', 1, 'pme_gpu_solve(PmeGpu *, int, t_complex *, GridOrdering, bool):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#af8d0dec13ce7987b901a14535dc3e8ba', 1, 'pme_gpu_solve(PmeGpu *pmeGpu, int gridIndex, t_complex *h_grid, GridOrdering gridOrdering, bool computeEnergyAndVirial):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fspread_379', ['pme_gpu_spread', ['../pme__gpu__hip__stubs_8cpp.xhtml#adf90da8a052dd8963dcfab33a1527832', 1, 'pme_gpu_spread(PmeGpu *, GpuEventSynchronizer *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, bool, bool, real, bool, gmx::PmeCoordinateReceiverGpu *, bool, gmx_wallcycle *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a4c90fbabf607be9d8770ec79dc1a8e15', 1, 'pme_gpu_spread(PmeGpu *pmeGpu, GpuEventSynchronizer *xReadyOnDevice, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, bool computeSplines, bool spreadCharges, const real lambda, const bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, const bool useMdGpuGraph, gmx_wallcycle *wcycle):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#ae62786a4a17a28d9eda73c27ca41da59', 1, 'pme_gpu_spread(PmeGpu *pmeGpu, GpuEventSynchronizer *xReadyOnDevice, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, bool computeSplines, bool spreadCharges, real lambda, bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, bool useMdGpuGraph, gmx_wallcycle *wcycle):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fstaging_380', ['pme_gpu_staging', ['../pme__gpu__internal_8h.xhtml#a3b8551b9b2de203257c86d48d9d7fb62', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fstaging_2eh_381', ['pme_gpu_staging.h', ['../pme__gpu__staging_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5fstart_5ftiming_382', ['pme_gpu_start_timing', ['../pme__gpu__timings_8cpp.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp']\n+    ['pme_5fgpu_5fstart_5ftiming_382', ['pme_gpu_start_timing', ['../pme__gpu__timings_8h.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp'],\n+        ['../pme__gpu__timings_8cpp.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp']\n     ]],\n     ['pme_5fgpu_5fstop_5ftiming_383', ['pme_gpu_stop_timing', ['../pme__gpu__timings_8cpp.xhtml#a3051e4da1cc1d9645997959b60fd30b0', 1, 'pme_gpu_stop_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8h.xhtml#a3051e4da1cc1d9645997959b60fd30b0', 1, 'pme_gpu_stop_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp']\n     ]],\n     ['pme_5fgpu_5fstream_5fquery_384', ['pme_gpu_stream_query', ['../pme__gpu__hip__stubs_8cpp.xhtml#a6bbdd7032824c5a58c607403a4a1bda7', 1, 'pme_gpu_stream_query(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fsupports_5fbuild_385', ['pme_gpu_supports_build', ['../pme_8cpp.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp'],\n         ['../pme_8h.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp']\n     ]],\n-    ['pme_5fgpu_5fsupports_5finput_386', ['pme_gpu_supports_input', ['../pme_8h.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n-        ['../pme_8cpp.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n+    ['pme_5fgpu_5fsupports_5finput_386', ['pme_gpu_supports_input', ['../pme_8cpp.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n+        ['../pme_8h.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n     ]],\n-    ['pme_5fgpu_5fsync_5fspread_5fgrid_387', ['pme_gpu_sync_spread_grid', ['../pme__gpu__internal_8h.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fsync_5fspread_5fgrid_387', ['pme_gpu_sync_spread_grid', ['../pme__gpu__hip__stubs_8cpp.xhtml#a0de296950eadc8a0f95eddbb866c480c', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a0de296950eadc8a0f95eddbb866c480c', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fsynchronize_388', ['pme_gpu_synchronize', ['../pme__gpu__internal_8h.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fsynchronize_388', ['pme_gpu_synchronize', ['../pme__gpu__hip__stubs_8cpp.xhtml#ac642782421fd2e7b2eda79f236975cd8', 1, 'pme_gpu_synchronize(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#ac642782421fd2e7b2eda79f236975cd8', 1, 'pme_gpu_synchronize(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5ftask_5fenabled_389', ['pme_gpu_task_enabled', ['../pme_8h.xhtml#a9faddde52f5a636410141f52cc95d3e1', 1, 'pme.h']]],\n     ['pme_5fgpu_5ftimings_2ecpp_390', ['pme_gpu_timings.cpp', ['../pme__gpu__timings_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftimings_2eh_391', ['pme_gpu_timings.h', ['../pme__gpu__timings_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftimings_5fenabled_392', ['pme_gpu_timings_enabled', ['../pme__gpu__timings_8h.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp']\n     ]],\n     ['pme_5fgpu_5ftransform_5fspline_5fatom_5fdata_393', ['pme_gpu_transform_spline_atom_data', ['../namespacegmx_1_1test.xhtml#a2d532705f5ffbc2f6fd4617d1111cc81', 1, 'gmx::test']]],\n     ['pme_5fgpu_5ftry_5ffinish_5ftask_394', ['pme_gpu_try_finish_task', ['../pme_8h.xhtml#aecf67d9094f45a741a7f1c74f27a49e7', 1, 'pme_gpu_try_finish_task(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, real lambdaQ, GpuTaskCompletion completionKind):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a121a7f787647a8313878cf785fe15d76', 1, 'pme_gpu_try_finish_task(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, const real lambdaQ, GpuTaskCompletion completionKind):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5ftypes_2eh_395', ['pme_gpu_types.h', ['../pme__gpu__types_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftypes_5fhost_2eh_396', ['pme_gpu_types_host.h', ['../pme__gpu__types__host_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftypes_5fhost_5fimpl_2eh_397', ['pme_gpu_types_host_impl.h', ['../pme__gpu__types__host__impl_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5fupdate_5finput_5fbox_398', ['pme_gpu_update_input_box', ['../pme__gpu__hip__stubs_8cpp.xhtml#a598d9d8d1bcb1e0a3e40c8e09d154dd5', 1, 'pme_gpu_update_input_box(PmeGpu *, const matrix):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a79575e51e673f2d13315370dba0e7191', 1, 'pme_gpu_update_input_box(PmeGpu *pmeGpu, const matrix box):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fupdate_5finput_5fbox_398', ['pme_gpu_update_input_box', ['../pme__gpu__internal_8h.xhtml#a79575e51e673f2d13315370dba0e7191', 1, 'pme_gpu_update_input_box(PmeGpu *pmeGpu, const matrix box):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a598d9d8d1bcb1e0a3e40c8e09d154dd5', 1, 'pme_gpu_update_input_box(PmeGpu *, const matrix):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fupdate_5ftimings_399', ['pme_gpu_update_timings', ['../pme__gpu__hip__stubs_8cpp.xhtml#ae1ffe34b05c602e60d0087b8d38346b5', 1, 'pme_gpu_update_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fupdate_5ftimings_399', ['pme_gpu_update_timings', ['../pme__gpu__timings_8h.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#ae1ffe34b05c602e60d0087b8d38346b5', 1, 'pme_gpu_update_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fuse_5fnvshmem_400', ['pme_gpu_use_nvshmem', ['../pme_8h.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fwait_5fand_5freduce_401', ['pme_gpu_wait_and_reduce', ['../pme_8h.xhtml#adcf095134b3b28e36e32dc65fbb74990', 1, 'pme_gpu_wait_and_reduce(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, real lambdaQ):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a10a5a598f5d8e27ab6e4b3096919637d', 1, 'pme_gpu_wait_and_reduce(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, const real lambdaQ):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fwait_5ffinish_5ftask_402', ['pme_gpu_wait_finish_task', ['../pme__gpu_8cpp.xhtml#a29d284ae8c627b3048447f47e61cf151', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#ab6a56b7f42494a3ea76bd33cdaddeaba', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fwait_5ffinish_5ftask_402', ['pme_gpu_wait_finish_task', ['../pme__gpu__internal_8h.xhtml#ab6a56b7f42494a3ea76bd33cdaddeaba', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n+        ['../pme__gpu_8cpp.xhtml#a29d284ae8c627b3048447f47e61cf151', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgrid_5fpoints_403', ['pme_grid_points', ['../pme__load__balancing_8cpp.xhtml#aa096c117d68e13e5d18eeff3e39cf156', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5finternal_2eh_404', ['pme_internal.h', ['../pme__internal_8h.xhtml', 1, '']]],\n     ['pme_5fload_5fbalance_405', ['pme_load_balance', ['../pme__load__balancing_8cpp.xhtml#ab969f20a626f1c0a31f3d33cdbf8a8e1', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5fload_5fbalancing_2ecpp_406', ['pme_load_balancing.cpp', ['../pme__load__balancing_8cpp.xhtml', 1, '']]],\n     ['pme_5fload_5fbalancing_2eh_407', ['pme_load_balancing.h', ['../pme__load__balancing_8h.xhtml', 1, '']]],\n-    ['pme_5floadbal_5fdo_408', ['pme_loadbal_do', ['../pme__load__balancing_8cpp.xhtml#a355929fd232d21971e0f98ff31c7d474', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp'],\n-        ['../pme__load__balancing_8h.xhtml#aedeb04303d1bffa9e4dc1d3b843f5f9d', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, struct t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp']\n+    ['pme_5floadbal_5fdo_408', ['pme_loadbal_do', ['../pme__load__balancing_8h.xhtml#aedeb04303d1bffa9e4dc1d3b843f5f9d', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, struct t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp'],\n+        ['../pme__load__balancing_8cpp.xhtml#a355929fd232d21971e0f98ff31c7d474', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp']\n     ]],\n     ['pme_5floadbal_5fdone_409', ['pme_loadbal_done', ['../pme__load__balancing_8cpp.xhtml#acb67e42228333b60cd1e7353b5da382e', 1, 'pme_loadbal_done(pme_load_balancing_t *pme_lb, FILE *fplog, const gmx::MDLogger &amp;mdlog, gmx_bool bNonBondedOnGPU):&#160;pme_load_balancing.cpp'],\n         ['../pme__load__balancing_8h.xhtml#acb67e42228333b60cd1e7353b5da382e', 1, 'pme_loadbal_done(pme_load_balancing_t *pme_lb, FILE *fplog, const gmx::MDLogger &amp;mdlog, gmx_bool bNonBondedOnGPU):&#160;pme_load_balancing.cpp']\n     ]],\n     ['pme_5floadbal_5fend_410', ['pme_loadbal_end', ['../pme__load__balancing_8cpp.xhtml#a08ba9fd9752caab7ff2c6518736c8684', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5floadbal_5fincrease_5fcutoff_411', ['pme_loadbal_increase_cutoff', ['../pme__load__balancing_8cpp.xhtml#a8eed547e08152be03e8ea355219fd699', 1, 'pme_load_balancing.cpp']]],\n-    ['pme_5floadbal_5finit_412', ['pme_loadbal_init', ['../pme__load__balancing_8cpp.xhtml#abcc387a129e73462ca867938847da414', 1, 'pme_loadbal_init(pme_load_balancing_t **pme_lb_p, t_commrec *cr, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, const matrix box, const interaction_const_t &amp;ic, const gmx::nonbonded_verlet_t &amp;nbv, gmx_pme_t *pmedata, gmx_bool bUseGPU):&#160;pme_load_balancing.cpp'],\n-        ['../pme__load__balancing_8h.xhtml#abcc387a129e73462ca867938847da414', 1, 'pme_loadbal_init(pme_load_balancing_t **pme_lb_p, t_commrec *cr, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, const matrix box, const interaction_const_t &amp;ic, const gmx::nonbonded_verlet_t &amp;nbv, gmx_pme_t *pmedata, gmx_bool bUseGPU):&#160;pme_load_balancing.cpp']\n+    ['pme_5floadbal_5finit_412', ['pme_loadbal_init', ['../pme__load__balancing_8h.xhtml#abcc387a129e73462ca867938847da414', 1, 'pme_loadbal_init(pme_load_balancing_t **pme_lb_p, t_commrec *cr, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, const matrix box, const interaction_const_t &amp;ic, const gmx::nonbonded_verlet_t &amp;nbv, gmx_pme_t *pmedata, gmx_bool bUseGPU):&#160;pme_load_balancing.cpp'],\n+        ['../pme__load__balancing_8cpp.xhtml#abcc387a129e73462ca867938847da414', 1, 'pme_loadbal_init(pme_load_balancing_t **pme_lb_p, t_commrec *cr, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, const matrix box, const interaction_const_t &amp;ic, const gmx::nonbonded_verlet_t &amp;nbv, gmx_pme_t *pmedata, gmx_bool bUseGPU):&#160;pme_load_balancing.cpp']\n     ]],\n-    ['pme_5floadbal_5fis_5factive_413', ['pme_loadbal_is_active', ['../pme__load__balancing_8cpp.xhtml#afd02504f87f1d1089c1da16b5bbc5bbf', 1, 'pme_loadbal_is_active(const pme_load_balancing_t *pme_lb):&#160;pme_load_balancing.cpp'],\n-        ['../pme__load__balancing_8h.xhtml#afd02504f87f1d1089c1da16b5bbc5bbf', 1, 'pme_loadbal_is_active(const pme_load_balancing_t *pme_lb):&#160;pme_load_balancing.cpp']\n+    ['pme_5floadbal_5fis_5factive_413', ['pme_loadbal_is_active', ['../pme__load__balancing_8h.xhtml#afd02504f87f1d1089c1da16b5bbc5bbf', 1, 'pme_loadbal_is_active(const pme_load_balancing_t *pme_lb):&#160;pme_load_balancing.cpp'],\n+        ['../pme__load__balancing_8cpp.xhtml#afd02504f87f1d1089c1da16b5bbc5bbf', 1, 'pme_loadbal_is_active(const pme_load_balancing_t *pme_lb):&#160;pme_load_balancing.cpp']\n     ]],\n     ['pme_5fonly_2eh_414', ['pme_only.h', ['../pme__only_8h.xhtml', 1, '']]],\n     ['pme_5forder_415', ['pme_order', ['../structPmeShared.xhtml#a2c1fecac21d22a25c4db7ea4ed217d5e', 1, 'PmeShared']]],\n     ['pme_5forder_5fmax_416', ['PME_ORDER_MAX', ['../pme__internal_8h.xhtml#a0b5842a3b64b78d81e64d305d93fb444', 1, 'pme_internal.h']]],\n     ['pme_5foutput_2eh_417', ['pme_output.h', ['../pme__output_8h.xhtml', 1, '']]],\n     ['pme_5fpp_2ecpp_418', ['pme_pp.cpp', ['../pme__pp_8cpp.xhtml', 1, '']]],\n     ['pme_5fpp_2eh_419', ['pme_pp.h', ['../pme__pp_8h.xhtml', 1, '']]],\n@@ -798,17 +798,17 @@\n     ['pmecorrfunction_442', ['pmeCorrFunction', ['../namespacegmx_1_1test_1_1anonymous__namespace_02splinetable_8cpp_03.xhtml#a114b7bdef1d5775f3aee743a549c9d08', 1, 'gmx::test::anonymous_namespace{splinetable.cpp}']]],\n     ['pmedata_443', ['pmedata', ['../structpme__setup__t.xhtml#a24d77a179605be8e30e0042930172072', 1, 'pme_setup_t']]],\n     ['pmefinalizetest_444', ['pmeFinalizeTest', ['../namespacegmx_1_1test.xhtml#a1edd6d8cc0e4fa820be454dbf3877f4f', 1, 'gmx::test']]],\n     ['pmeforcecorrection_445', ['pmeforcecorrection', ['../namespacegmx.xhtml#a5275f264f1c6da2502ec03e8fbf855a4', 1, 'gmx::pmeForceCorrection(double z2)'],\n         ['../namespacegmx.xhtml#a1e5b1230d0301fa6760e34d7641ca7e4', 1, 'gmx::pmeForceCorrection(float z2)']\n     ]],\n     ['pmeforcecorrectionsingleaccuracy_446', ['pmeForceCorrectionSingleAccuracy', ['../namespacegmx.xhtml#abd18f07b8fd19f03f12442211982db53', 1, 'gmx']]],\n-    ['pmeforcesendergpu_447', ['pmeforcesendergpu', ['../classgmx_1_1PmeForceSenderGpu.xhtml', 1, 'gmx::PmeForceSenderGpu'],\n-        ['../classgmx_1_1PmeForceSenderGpu.xhtml#adebce74b420495046e8211be15c53bae', 1, 'gmx::PmeForceSenderGpu::PmeForceSenderGpu()'],\n-        ['../structgmx__pme__pp.xhtml#a23d50db5d4950d91a794b4ffb101b531', 1, 'gmx_pme_pp::pmeForceSenderGpu']\n+    ['pmeforcesendergpu_447', ['pmeforcesendergpu', ['../classgmx_1_1PmeForceSenderGpu.xhtml#adebce74b420495046e8211be15c53bae', 1, 'gmx::PmeForceSenderGpu::PmeForceSenderGpu()'],\n+        ['../structgmx__pme__pp.xhtml#a23d50db5d4950d91a794b4ffb101b531', 1, 'gmx_pme_pp::pmeForceSenderGpu'],\n+        ['../classgmx_1_1PmeForceSenderGpu.xhtml', 1, 'gmx::PmeForceSenderGpu']\n     ]],\n     ['pmeforcesready_448', ['pmeForcesReady', ['../structPmeGpuSpecific.xhtml#ab767da2851abd9a401e9a83101176230', 1, 'PmeGpuSpecific']]],\n     ['pmegatherkernel_449', ['pmeGatherKernel', ['../pme__gather__sycl_8cpp.xhtml#aa72cdc234e8e46990c97e36ded8fa09b', 1, 'pme_gather_sycl.cpp']]],\n     ['pmegathertest_2ecpp_450', ['pmegathertest.cpp', ['../pmegathertest_8cpp.xhtml', 1, '']]],\n     ['pmegetcomplexgrid_451', ['pmeGetComplexGrid', ['../namespacegmx_1_1test.xhtml#a15dd98cb3ef7e76e595ee9643e99a301', 1, 'gmx::test']]],\n     ['pmegetcomplexgridinternal_452', ['pmeGetComplexGridInternal', ['../namespacegmx_1_1test.xhtml#a6e3a33b07d7a07d364adb41606108d51', 1, 'gmx::test']]],\n     ['pmegetcomplexgridsizesinternal_453', ['pmeGetComplexGridSizesInternal', ['../namespacegmx_1_1test.xhtml#a611b81b5fa91c5af3a1d55f0dcccd403', 1, 'gmx::test']]],\n@@ -830,60 +830,60 @@\n     ['pmegpuconstparams_469', ['PmeGpuConstParams', ['../structPmeGpuConstParams.xhtml', 1, '']]],\n     ['pmegpucreategrid_470', ['pmeGpuCreateGrid', ['../pme__gpu__internal_8cpp.xhtml#ae10d979ffdf2422ac3e11f5dc6fa7d3c', 1, 'pme_gpu_internal.cpp']]],\n     ['pmegpudynamicparams_471', ['PmeGpuDynamicParams', ['../structPmeGpuDynamicParams.xhtml', 1, '']]],\n     ['pmegpugridhaloexchange_472', ['pmegpugridhaloexchange', ['../pme__gpu__ocl__stubs_8cpp.xhtml#a27a826956f0aa8c1927c8fe235f017a3', 1, 'pmeGpuGridHaloExchange(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp'],\n         ['../pme__gpu__grid__sycl_8cpp.xhtml#a05b62ebd1ff27542d4e71e53753ecf20', 1, 'pmeGpuGridHaloExchange(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n         ['../pme__gpu__grid_8h.xhtml#a05b62ebd1ff27542d4e71e53753ecf20', 1, 'pmeGpuGridHaloExchange(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp']\n     ]],\n-    ['pmegpugridhaloexchangereverse_473', ['pmegpugridhaloexchangereverse', ['../pme__gpu__grid_8h.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n+    ['pmegpugridhaloexchangereverse_473', ['pmegpugridhaloexchangereverse', ['../pme__gpu__ocl__stubs_8cpp.xhtml#a6b2310ae91449944562c827d41a60841', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp'],\n         ['../pme__gpu__grid__sycl_8cpp.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n-        ['../pme__gpu__ocl__stubs_8cpp.xhtml#a6b2310ae91449944562c827d41a60841', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp']\n+        ['../pme__gpu__grid_8h.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp']\n     ]],\n     ['pmegpugridparams_474', ['PmeGpuGridParams', ['../structPmeGpuGridParams.xhtml', 1, '']]],\n     ['pmegpuhaloexchange_475', ['PmeGpuHaloExchange', ['../structPmeGpuHaloExchange.xhtml', 1, '']]],\n     ['pmegpukernelparams_476', ['PmeGpuKernelParams', ['../pme__gpu__types__host_8h.xhtml#a90fa9b88804bde8212648c88b6420060', 1, 'pme_gpu_types_host.h']]],\n     ['pmegpukernelparamsbase_477', ['PmeGpuKernelParamsBase', ['../structPmeGpuKernelParamsBase.xhtml', 1, '']]],\n     ['pmegpuprogram_478', ['pmegpuprogram', ['../classPmeGpuProgram.xhtml', 1, 'PmeGpuProgram'],\n         ['../classPmeGpuProgram.xhtml#aa7e861bd577b2173e248c5bf9fb5ef0e', 1, 'PmeGpuProgram::PmeGpuProgram()']\n     ]],\n     ['pmegpuprogramimpl_479', ['pmegpuprogramimpl', ['../structPmeGpuProgramImpl.xhtml', 1, 'PmeGpuProgramImpl'],\n         ['../structPmeGpuProgramImpl.xhtml#aaa32b034422bc8368663a7399f35780e', 1, 'PmeGpuProgramImpl::PmeGpuProgramImpl()']\n     ]],\n     ['pmegpuprogramstorage_480', ['PmeGpuProgramStorage', ['../pme__gpu__program_8h.xhtml#a97971c4f6d1aaf179563e021309fe680', 1, 'pme_gpu_program.h']]],\n     ['pmegpusettings_481', ['PmeGpuSettings', ['../structPmeGpuSettings.xhtml', 1, '']]],\n-    ['pmegpuspecific_482', ['pmegpuspecific', ['../structPmeGpuSpecific.xhtml#a1bee1e0810c2c0eb7b06c953416e193f', 1, 'PmeGpuSpecific::PmeGpuSpecific()'],\n-        ['../pme__gpu__types__host_8h.xhtml#a13767aeede40e21d6edf8d835df9705f', 1, 'PmeGpuSpecific:&#160;pme_gpu_types_host.h'],\n-        ['../structPmeGpuSpecific.xhtml', 1, 'PmeGpuSpecific']\n+    ['pmegpuspecific_482', ['pmegpuspecific', ['../pme__gpu__types__host_8h.xhtml#a13767aeede40e21d6edf8d835df9705f', 1, 'PmeGpuSpecific:&#160;pme_gpu_types_host.h'],\n+        ['../structPmeGpuSpecific.xhtml', 1, 'PmeGpuSpecific'],\n+        ['../structPmeGpuSpecific.xhtml#a1bee1e0810c2c0eb7b06c953416e193f', 1, 'PmeGpuSpecific::PmeGpuSpecific()']\n     ]],\n     ['pmegpustageatomdata_483', ['pmeGpuStageAtomData', ['../pme__gpu__calculate__splines__sycl_8h.xhtml#af5c60e250e572e1bab33ccf09a24f01e', 1, 'pme_gpu_calculate_splines_sycl.h']]],\n     ['pmegpustaging_484', ['PmeGpuStaging', ['../structPmeGpuStaging.xhtml', 1, '']]],\n     ['pmegpuwaitandreduce_485', ['pmeGpuWaitAndReduce', ['../namespacegmx.xhtml#a3db2e0fcedab51584c0e640bbb5e9d46', 1, 'gmx']]],\n     ['pmegridnk_486', ['pmegridNk', ['../structPmeShared.xhtml#aef67175d75c261387ce7806141fdd796', 1, 'PmeShared']]],\n     ['pmegridsreadyforspread_487', ['pmeGridsReadyForSpread', ['../structPmeGpuSpecific.xhtml#a16feeb45c5bbaccf371d415251bb08b2', 1, 'PmeGpuSpecific']]],\n     ['pmeinitatoms_488', ['pmeInitAtoms', ['../namespacegmx_1_1test.xhtml#a3e3a948e52ee4f5b89c7113898fa9950', 1, 'gmx::test']]],\n     ['pmeinitempty_489', ['pmeInitEmpty', ['../namespacegmx_1_1test.xhtml#a93750fdb415cd0b6e5af3bfd1d465620', 1, 'gmx::test']]],\n     ['pmeinitwrapper_490', ['pmeInitWrapper', ['../namespacegmx_1_1test.xhtml#a69d8e5a058f4ad0cd18db46460be6f9a', 1, 'gmx::test']]],\n     ['pmekernelhandle_491', ['PmeKernelHandle', ['../structPmeGpuProgramImpl.xhtml#a946b4419ceb5cf4690681c6d70eb162c', 1, 'PmeGpuProgramImpl']]],\n     ['pmelayouttransform_492', ['PmeLayoutTransform', ['../namespacegmx_1_1test.xhtml#a4cb48f76aa8db3fdb07bc098706982ab', 1, 'gmx::test']]],\n-    ['pmeloadbalancehelper_493', ['pmeloadbalancehelper', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a25a8cd34365febe90aec1d32ab9d541b', 1, 'gmx::PmeLoadBalanceHelper::PmeLoadBalanceHelper()'],\n-        ['../classgmx_1_1PmeLoadBalanceHelper.xhtml', 1, 'gmx::PmeLoadBalanceHelper']\n+    ['pmeloadbalancehelper_493', ['pmeloadbalancehelper', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml', 1, 'gmx::PmeLoadBalanceHelper'],\n+        ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a25a8cd34365febe90aec1d32ab9d541b', 1, 'gmx::PmeLoadBalanceHelper::PmeLoadBalanceHelper()']\n     ]],\n     ['pmeloadbalancehelper_20tt_494', ['&lt;tt&gt;DomDecHelper&lt;/tt&gt; and &lt;tt&gt;PmeLoadBalanceHelper&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md41', 1, '']]],\n     ['pmeloadbalancehelper_2ecpp_495', ['pmeloadbalancehelper.cpp', ['../pmeloadbalancehelper_8cpp.xhtml', 1, '']]],\n     ['pmeloadbalancehelper_2eh_496', ['pmeloadbalancehelper.h', ['../pmeloadbalancehelper_8h.xhtml', 1, '']]],\n     ['pmeloadbalancinglimit_497', ['PmeLoadBalancingLimit', ['../pme__load__balancing_8cpp.xhtml#a152d9b1c10ef8fcfda644eb9e0704a3c', 1, 'pme_load_balancing.cpp']]],\n     ['pmeperformgather_498', ['pmePerformGather', ['../namespacegmx_1_1test.xhtml#a5b568c9ce545ed5b81aab09b839307ad', 1, 'gmx::test']]],\n     ['pmeperformsolve_499', ['pmePerformSolve', ['../namespacegmx_1_1test.xhtml#a56aae96ca19e204f55fa12d7048c09ea', 1, 'gmx::test']]],\n     ['pmeperformsplineandspread_500', ['pmePerformSplineAndSpread', ['../namespacegmx_1_1test.xhtml#a1ca32a3032115f7d3287676d2c0e6f17', 1, 'gmx::test']]],\n     ['pmepotentialcorrection_501', ['pmepotentialcorrection', ['../namespacegmx.xhtml#ac54e81f11cb53c7d68ff7dab05bd6afd', 1, 'gmx::pmePotentialCorrection(float z2)'],\n         ['../namespacegmx.xhtml#acba0166c05fec69dd4a2624ed8dcff95', 1, 'gmx::pmePotentialCorrection(double z2)']\n     ]],\n     ['pmepotentialcorrectionsingleaccuracy_502', ['pmePotentialCorrectionSingleAccuracy', ['../namespacegmx.xhtml#ab8004b2507f7192ead653fcdcb6735fe', 1, 'gmx']]],\n-    ['pmeppcommgpu_503', ['pmeppcommgpu', ['../classgmx_1_1PmePpCommGpu.xhtml#ad6faf3fc85e8c1881e3f16d5e6a7ed34', 1, 'gmx::PmePpCommGpu::PmePpCommGpu()'],\n-        ['../classgmx_1_1PmePpCommGpu.xhtml', 1, 'gmx::PmePpCommGpu']\n+    ['pmeppcommgpu_503', ['pmeppcommgpu', ['../classgmx_1_1PmePpCommGpu.xhtml', 1, 'gmx::PmePpCommGpu'],\n+        ['../classgmx_1_1PmePpCommGpu.xhtml#ad6faf3fc85e8c1881e3f16d5e6a7ed34', 1, 'gmx::PmePpCommGpu::PmePpCommGpu()']\n     ]],\n     ['pmepptransfer_504', ['PmePpTransfer', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a13b8e77399a0dac4074b4f84806d814d', 1, 'gmx']]],\n     ['pmeprinting_505', ['pmePrinting', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a8436afe7313d62bd16fa218ba9d23f06', 1, 'gmx::PmeLoadBalanceHelper']]],\n     ['pmeranks_5f_506', ['pmeRanks_', ['../classgmx_1_1DomainDecompositionBuilder_1_1Impl.xhtml#a0c90cc0bff9a1ecf03219470420d6605', 1, 'gmx::DomainDecompositionBuilder::Impl']]],\n     ['pmeremotecpuforceptr_507', ['pmeRemoteCpuForcePtr', ['../structgmx_1_1PpForceCommManager.xhtml#ac494c801f14e07badc7b3cb1723a9e5e', 1, 'gmx::PpForceCommManager']]],\n     ['pmeremotegpuforceptr_508', ['pmeRemoteGpuForcePtr', ['../structgmx_1_1PpForceCommManager.xhtml#ae85beb1a3a77948cb972ef832cecdbcc', 1, 'gmx::PpForceCommManager']]],\n     ['pmerunmode_509', ['PmeRunMode', ['../pme_8h.xhtml#adc082ed1af9a4868af13352373ed3791', 1, 'pme.h']]],\n@@ -914,103 +914,103 @@\n     ['pmf_532', ['pmf', ['../namespacegmx.xhtml#aed0429233bc357e419dafee7b8bd1344a84c75a906e1e7548f6df1e4e3aa3af52', 1, 'gmx::Pmf'],\n         ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a600536d6baf212ecc56d278f2a0e3e59a84c75a906e1e7548f6df1e4e3aa3af52', 1, 'anonymous_namespace{gmx_awh.cpp}::Pmf']\n     ]],\n     ['point_533', ['point', ['../classgmx_1_1BiasGrid.xhtml#a9580f519d30dc81342ad890187d13edc', 1, 'gmx::BiasGrid']]],\n     ['point_20data_534', ['Floating-point data', ['../page_simd.xhtml#autotoc_md60', 1, '']]],\n     ['point_20values_535', ['Integers corresponding to floating-point values', ['../page_simd.xhtml#autotoc_md61', 1, '']]],\n     ['pointdistancealongaxis_536', ['pointDistanceAlongAxis', ['../namespacegmx.xhtml#a9980e0f1eac7ff209652d8cecb1eca36', 1, 'gmx']]],\n-    ['pointer_537', ['pointer', ['../classgmx_1_1accessor__basic.xhtml#af82d407a1ceb60e6c53ba95587199719', 1, 'gmx::accessor_basic::pointer'],\n-        ['../classgmx_1_1ArrayRefWithPadding.xhtml#ae5525f7b3c732a93f675b4280cc10e7d', 1, 'gmx::ArrayRefWithPadding::pointer'],\n-        ['../classgmx_1_1basic__mdspan.xhtml#afcdc192280a9292909fdc9517e323090', 1, 'gmx::basic_mdspan::pointer'],\n-        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a3e88ccc15552d68e12105aebcbf1b7f9', 1, 'gmx::internal::SimdArrayRef::pointer'],\n-        ['../classgmx_1_1FixedCapacityVector.xhtml#a06373345a99c67a2e0d12372a13f2a91', 1, 'gmx::FixedCapacityVector::pointer'],\n+    ['pointer_537', ['pointer', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ae5525f7b3c732a93f675b4280cc10e7d', 1, 'gmx::ArrayRefWithPadding::pointer'],\n+        ['../structgmx_1_1EnumerationArray.xhtml#a49a356bfb08d78cfe5e4a9e31b96367e', 1, 'gmx::EnumerationArray::pointer'],\n         ['../classgmx_1_1ArrayRef.xhtml#a7d3b7bcef0b244efc5d3da2fe2278390', 1, 'gmx::ArrayRef::pointer'],\n-        ['../structgmx_1_1EnumerationArray.xhtml#a49a356bfb08d78cfe5e4a9e31b96367e', 1, 'gmx::EnumerationArray::pointer']\n+        ['../classgmx_1_1FixedCapacityVector.xhtml#a06373345a99c67a2e0d12372a13f2a91', 1, 'gmx::FixedCapacityVector::pointer'],\n+        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a3e88ccc15552d68e12105aebcbf1b7f9', 1, 'gmx::internal::SimdArrayRef::pointer'],\n+        ['../classgmx_1_1basic__mdspan.xhtml#afcdc192280a9292909fdc9517e323090', 1, 'gmx::basic_mdspan::pointer'],\n+        ['../classgmx_1_1accessor__basic.xhtml#af82d407a1ceb60e6c53ba95587199719', 1, 'gmx::accessor_basic::pointer']\n     ]],\n     ['pointers_2ecpp_538', ['pointers.cpp', ['../pointers_8cpp.xhtml', 1, '']]],\n     ['pointers_2eh_539', ['pointers.h', ['../pointers_8h.xhtml', 1, '']]],\n     ['points_540', ['points', ['../classgmx_1_1BiasState.xhtml#a3ac116746718cc0af400eb6c49e23e8b', 1, 'gmx::BiasState']]],\n-    ['pointsadded_541', ['pointsadded', ['../classgmx_1_1AnalysisDataModuleSerial.xhtml#a26723206e33708251bbba70eed673f44', 1, 'gmx::AnalysisDataModuleSerial::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataVectorPlotModule.xhtml#a1f5b2dbab42eb4ca8ce85d8324432824', 1, 'gmx::AnalysisDataVectorPlotModule::pointsAdded()'],\n+    ['pointsadded_541', ['pointsadded', ['../classgmx_1_1AnalysisDataVectorPlotModule.xhtml#a1f5b2dbab42eb4ca8ce85d8324432824', 1, 'gmx::AnalysisDataVectorPlotModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataPlotModule.xhtml#a32ac3ced4c11a10e20775a32ee5d349b', 1, 'gmx::AnalysisDataPlotModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a5b851f02915d11a13791ce5e7d49ab9d', 1, 'gmx::AnalysisDataModuleParallel::pointsAdded()'],\n-        ['../classgmx_1_1IAnalysisDataModule.xhtml#af7097e86905c7133ccfd2242fbca9ad0', 1, 'gmx::IAnalysisDataModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataModuleSerial.xhtml#a26723206e33708251bbba70eed673f44', 1, 'gmx::AnalysisDataModuleSerial::pointsAdded()'],\n+        ['../classgmx_1_1AbstractPlotModule.xhtml#adcf1de40fc5879c1a12532635e81d479', 1, 'gmx::AbstractPlotModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#aa5bc505d9b2c6f4e28b2ae8279dc9635', 1, 'gmx::AnalysisDataLifetimeModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#ada35de8665d5e2514f9b742fa668e3a2', 1, 'gmx::AnalysisDataBinAverageModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#a86f6a46cf64108dbab34f4faff53d011', 1, 'gmx::AnalysisDataWeightedHistogramModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#ad0b6d871e1cae3cb49af5b5c3329e3eb', 1, 'gmx::AnalysisDataSimpleHistogramModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#ad17650bcebc55264c9fc8dcfc4e35e3d', 1, 'gmx::AnalysisDataDisplacementModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml#ace93b671432df57c1f885d82c2fa2818', 1, 'gmx::AnalysisDataFrameAverageModule::pointsAdded()'],\n         ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02select_8cpp_03_1_1IndexFileWriterModule.xhtml#abd4b1bd4f780c858218c2ed853002b20', 1, 'gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#aa73d00aa098a1f4dff8d9ab52c1b7400', 1, 'gmx::AnalysisDataAverageModule::pointsAdded()'],\n         ['../classgmx_1_1internal_1_1BasicAverageHistogramModule.xhtml#a76d3359cbb6ec62060a543b03ef18509', 1, 'gmx::internal::BasicAverageHistogramModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a5b851f02915d11a13791ce5e7d49ab9d', 1, 'gmx::AnalysisDataModuleParallel::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataProxy.xhtml#a59635a206ddc8987538955f3a36c5cd9', 1, 'gmx::AnalysisDataProxy::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#aa73d00aa098a1f4dff8d9ab52c1b7400', 1, 'gmx::AnalysisDataAverageModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml#ace93b671432df57c1f885d82c2fa2818', 1, 'gmx::AnalysisDataFrameAverageModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#ad17650bcebc55264c9fc8dcfc4e35e3d', 1, 'gmx::AnalysisDataDisplacementModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#ad0b6d871e1cae3cb49af5b5c3329e3eb', 1, 'gmx::AnalysisDataSimpleHistogramModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#a86f6a46cf64108dbab34f4faff53d011', 1, 'gmx::AnalysisDataWeightedHistogramModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#ada35de8665d5e2514f9b742fa668e3a2', 1, 'gmx::AnalysisDataBinAverageModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#aa5bc505d9b2c6f4e28b2ae8279dc9635', 1, 'gmx::AnalysisDataLifetimeModule::pointsAdded()'],\n-        ['../classgmx_1_1AbstractPlotModule.xhtml#adcf1de40fc5879c1a12532635e81d479', 1, 'gmx::AbstractPlotModule::pointsAdded()']\n+        ['../classgmx_1_1IAnalysisDataModule.xhtml#af7097e86905c7133ccfd2242fbca9ad0', 1, 'gmx::IAnalysisDataModule::pointsAdded()']\n     ]],\n     ['pointsalonglambdaaxis_542', ['pointsAlongLambdaAxis', ['../namespacegmx.xhtml#aff07c7a9ebdd29aa1584af5d8820afcc', 1, 'gmx']]],\n     ['pointset_543', ['pointset', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a780adb8176b23a810eb167b70723a8d9', 1, 'gmx::AnalysisDataFrameRef::pointSet()'],\n-        ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ad2e8bad8fb18c4e8a73342323bae7278', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSet()'],\n-        ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a98d9a081734b5a125b0f8d72013e5de6', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSet()']\n+        ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a98d9a081734b5a125b0f8d72013e5de6', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSet()'],\n+        ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ad2e8bad8fb18c4e8a73342323bae7278', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSet()']\n     ]],\n-    ['pointsetcount_544', ['pointsetcount', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a61c2ee6ccfc1bc2d0d53023676a18fba', 1, 'gmx::AnalysisDataFrameRef::pointSetCount()'],\n+    ['pointsetcount_544', ['pointsetcount', ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a6e0a2eb1e875073499c25f0d692e728c', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSetCount()'],\n         ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ac9c5ce5f1cf9f40a432a04e95c41b373', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSetCount()'],\n-        ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a6e0a2eb1e875073499c25f0d692e728c', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSetCount()']\n+        ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a61c2ee6ccfc1bc2d0d53023676a18fba', 1, 'gmx::AnalysisDataFrameRef::pointSetCount()']\n     ]],\n     ['pointshavedifferentlambda_545', ['pointsHaveDifferentLambda', ['../namespacegmx.xhtml#aae9bf2b5e56f777f3c61fddadcbb78cb', 1, 'gmx']]],\n-    ['pointstate_546', ['pointstate', ['../classgmx_1_1PointState.xhtml#a2141bf32d5fe8de87bd0769221d9d831', 1, 'gmx::PointState::PointState()'],\n-        ['../classgmx_1_1PointState.xhtml', 1, 'gmx::PointState']\n+    ['pointstate_546', ['pointstate', ['../classgmx_1_1PointState.xhtml', 1, 'gmx::PointState'],\n+        ['../classgmx_1_1PointState.xhtml#a2141bf32d5fe8de87bd0769221d9d831', 1, 'gmx::PointState::PointState()']\n     ]],\n     ['pointstate_2ecpp_547', ['pointstate.cpp', ['../pointstate_8cpp.xhtml', 1, '']]],\n     ['pointstate_2eh_548', ['pointstate.h', ['../pointstate_8h.xhtml', 1, '']]],\n     ['polynomials_2ecpp_549', ['polynomials.cpp', ['../polynomials_8cpp.xhtml', 1, '']]],\n     ['polynomials_2eh_550', ['polynomials.h', ['../polynomials_8h.xhtml', 1, '']]],\n     ['pop_5fback_551', ['pop_back', ['../classgmx_1_1FixedCapacityVector.xhtml#aeb1301327a77c58c2f2a0e3f524cf529', 1, 'gmx::FixedCapacityVector::pop_back()'],\n         ['../classgmx_1_1KeyValueTreePath.xhtml#a6a499eede7dbd2c0df803d06f7a2fb1d', 1, 'gmx::KeyValueTreePath::pop_back()']\n     ]],\n     ['pop_5flast_552', ['pop_last', ['../classgmx_1_1KeyValueTreePath.xhtml#a3d56878a0b33dd289ae7046d0ef86bd6', 1, 'gmx::KeyValueTreePath']]],\n     ['popientrywhenempty_553', ['popIEntryWhenEmpty', ['../classt__nblist.xhtml#ab26cfa59d201918a936f9c3a716c7a51', 1, 't_nblist']]],\n     ['populatemoleculetype_554', ['populateMoleculeType', ['../namespacegmx_1_1test_1_1anonymous__namespace_02com_8cpp_03.xhtml#aa7970a5640bd23bc600abb150f6e9691', 1, 'gmx::test::anonymous_namespace{com.cpp}']]],\n-    ['port_555', ['port', ['../structgmx_1_1ImdOptions.xhtml#a6d9afb10ab4e701009c11db4875e1056', 1, 'gmx::ImdOptions::port'],\n-        ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a1583187db4ad04a5c7ea5fbb8c58758a', 1, 'gmx::ImdSession::Impl::port']\n+    ['port_555', ['port', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a1583187db4ad04a5c7ea5fbb8c58758a', 1, 'gmx::ImdSession::Impl::port'],\n+        ['../structgmx_1_1ImdOptions.xhtml#a6d9afb10ab4e701009c11db4875e1056', 1, 'gmx::ImdOptions::port']\n     ]],\n-    ['pos_556', ['pos', ['../classgmx_1_1SelectionTreeElement.xhtml#ac78b536909e9843043af491cc3df4775', 1, 'gmx::SelectionTreeElement::pos'],\n-        ['../structt__UmbrellaWindow.xhtml#ace1a860f95c6d3af285244aa15d3d172', 1, 't_UmbrellaWindow::pos']\n+    ['pos_556', ['pos', ['../structt__UmbrellaWindow.xhtml#ace1a860f95c6d3af285244aa15d3d172', 1, 't_UmbrellaWindow::pos'],\n+        ['../classgmx_1_1SelectionTreeElement.xhtml#ac78b536909e9843043af491cc3df4775', 1, 'gmx::SelectionTreeElement::pos']\n     ]],\n     ['pos_5fall_557', ['POS_ALL', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a48ca90dd084e7d893fc320f2269a50d3', 1, 'poscalc.h']]],\n     ['pos_5fall_5fpbc_558', ['POS_ALL_PBC', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2ad65f5f38fe21e3709ffa21fadf007fd7', 1, 'poscalc.h']]],\n     ['pos_5fatom_559', ['POS_ATOM', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a91ffdb6964763d88b5a784de222833d8', 1, 'poscalc.h']]],\n     ['pos_5fcomplmax_560', ['POS_COMPLMAX', ['../poscalc_8h.xhtml#a51ff971fa79e81dad91a94091995de8a', 1, 'poscalc.h']]],\n     ['pos_5fcomplwhole_561', ['POS_COMPLWHOLE', ['../poscalc_8h.xhtml#acb6721f6727690335c169552fcc860f5', 1, 'poscalc.h']]],\n     ['pos_5fdynamic_562', ['POS_DYNAMIC', ['../poscalc_8h.xhtml#a62eb7b0a0896e61e43ad4345ee3bb2dd', 1, 'poscalc.h']]],\n     ['pos_5fforces_563', ['POS_FORCES', ['../poscalc_8h.xhtml#a1d2128603326a76171d1d3c0e2cd2f44', 1, 'poscalc.h']]],\n     ['pos_5fmaskonly_564', ['POS_MASKONLY', ['../poscalc_8h.xhtml#a3586daeaab8b4ff970ae759b3677e7fd', 1, 'poscalc.h']]],\n     ['pos_5fmass_565', ['POS_MASS', ['../poscalc_8h.xhtml#ae2fb2ab85a6006e1061ed6af99c1f39f', 1, 'poscalc.h']]],\n     ['pos_5fmol_566', ['POS_MOL', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a832073c54a9cb1a05ae87c25315fcd7e', 1, 'poscalc.h']]],\n     ['pos_5fres_567', ['POS_RES', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a6e4eae73e805ce492df6c75c55ab712a', 1, 'poscalc.h']]],\n     ['pos_5fvalue_568', ['POS_VALUE', ['../selvalue_8h.xhtml#a70b42b87d434580bf1493591857b8beca31a47fbfbc85ad1472ce3d2a168fd1ec', 1, 'selvalue.h']]],\n     ['pos_5fvelocities_569', ['POS_VELOCITIES', ['../poscalc_8h.xhtml#a809bf5cbef405aeb9bc497aa54f3c5f0', 1, 'poscalc.h']]],\n-    ['poscalc_2ecpp_570', ['poscalc.cpp', ['../tests_2poscalc_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../poscalc_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['poscalc_2ecpp_570', ['poscalc.cpp', ['../poscalc_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2poscalc_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['poscalc_2eh_571', ['poscalc.h', ['../poscalc_8h.xhtml', 1, '']]],\n-    ['poscount_572', ['poscount', ['../classgmx_1_1internal_1_1SelectionData.xhtml#aad49c4ea69ef0cc81207383b4ba5cfb5', 1, 'gmx::internal::SelectionData::posCount()'],\n-        ['../classgmx_1_1Selection.xhtml#ac01e4247bdc9f727b4dffc28cf423f3c', 1, 'gmx::Selection::posCount() const']\n+    ['poscount_572', ['poscount', ['../classgmx_1_1Selection.xhtml#ac01e4247bdc9f727b4dffc28cf423f3c', 1, 'gmx::Selection::posCount()'],\n+        ['../classgmx_1_1internal_1_1SelectionData.xhtml#aad49c4ea69ef0cc81207383b4ba5cfb5', 1, 'gmx::internal::SelectionData::posCount()']\n     ]],\n     ['position_573', ['position', ['../classgmx_1_1Selection.xhtml#a7b9d71d9e03043491c475a683f73587b', 1, 'gmx::Selection']]],\n     ['position_20swapping_20swap_574', ['&quot;Computational Electrophysiology&quot; position swapping (swap)', ['../group__module__swap.xhtml', 1, '']]],\n     ['position_2ecpp_575', ['position.cpp', ['../position_8cpp.xhtml', 1, '']]],\n     ['position_2eh_576', ['position.h', ['../position_8h.xhtml', 1, '']]],\n     ['position_5fdistance_577', ['position_distance', ['../classgmx_1_1ColvarProxyGromacs.xhtml#a14f11157569bf72288adc0fe5768e5fc', 1, 'gmx::ColvarProxyGromacs']]],\n-    ['position_5frestraints_2ecpp_578', ['position_restraints.cpp', ['../tests_2position__restraints_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../position__restraints_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['position_5frestraints_2ecpp_578', ['position_restraints.cpp', ['../position__restraints_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2position__restraints_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['position_5frestraints_2eh_579', ['position_restraints.h', ['../position__restraints_8h.xhtml', 1, '']]],\n     ['positionandamplitude_580', ['PositionAndAmplitude', ['../structgmx_1_1GaussianSpreadKernelParameters_1_1PositionAndAmplitude.xhtml', 1, 'gmx::GaussianSpreadKernelParameters']]],\n-    ['positioncalculationcollection_581', ['positioncalculationcollection', ['../classgmx_1_1PositionCalculationCollection.xhtml', 1, 'gmx::PositionCalculationCollection'],\n-        ['../classgmx_1_1PositionCalculationCollection.xhtml#aef3a4272761b50e6f351a53360d89a3d', 1, 'gmx::PositionCalculationCollection::PositionCalculationCollection()']\n+    ['positioncalculationcollection_581', ['positioncalculationcollection', ['../classgmx_1_1PositionCalculationCollection.xhtml#aef3a4272761b50e6f351a53360d89a3d', 1, 'gmx::PositionCalculationCollection::PositionCalculationCollection()'],\n+        ['../classgmx_1_1PositionCalculationCollection.xhtml', 1, 'gmx::PositionCalculationCollection']\n     ]],\n     ['positionoffset_582', ['positionOffset', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#aea7d4003b9200b259afe520937dbfe3c', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['positions_583', ['positions', ['../namespacegmx_1_1test_1_1anonymous__namespace_02updategroupscog_8cpp_03.xhtml#a1d7b92752da9be32558c2d13eddd84a7', 1, 'gmx::test::anonymous_namespace{updategroupscog.cpp}::positions'],\n         ['../namespacegmx.xhtml#acfece32c8b80f289300eab6a3d38796ca3160eb21973806e4291c3979d4aa242e', 1, 'gmx::Positions']\n     ]],\n     ['positionsandvelocities_584', ['PositionsAndVelocities', ['../namespacegmx.xhtml#acfece32c8b80f289300eab6a3d38796cad3b078b311589ad4f94c755832ef725e', 1, 'gmx']]],\n     ['positionscalingcallback_585', ['positionScalingCallback', ['../classgmx_1_1Propagator.xhtml#ac9a40ecf45c6079ba2b3468daefb435f', 1, 'gmx::Propagator']]],\n@@ -1020,28 +1020,28 @@\n     ['positionsview_589', ['positionsView', ['../classgmx_1_1StatePropagatorData.xhtml#af6c40b68aabb89ee5233dbabebf98864', 1, 'gmx::StatePropagatorData']]],\n     ['positionsymbol_590', ['PositionSymbol', ['../classgmx_1_1SelectionParserSymbol.xhtml#ae1aa823f90fa95c285240878c93d295fad0f3a23ad1e73286b34f61ee68672b3e', 1, 'gmx::SelectionParserSymbol']]],\n     ['posres_591', ['posres', ['../namespaceanonymous__namespace_02position__restraints_8cpp_03.xhtml#ae8723186b9bb707506acc0a326ca214f', 1, 'anonymous_namespace{position_restraints.cpp}']]],\n     ['posres_5fdx_592', ['posres_dx', ['../namespaceanonymous__namespace_02position__restraints_8cpp_03.xhtml#a3c4d10324cfff742c83657792cd70ce1', 1, 'anonymous_namespace{position_restraints.cpp}']]],\n     ['posres_5fwrapper_593', ['posres_wrapper', ['../position__restraints_8h.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp'],\n         ['../position__restraints_8cpp.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp']\n     ]],\n-    ['posres_5fwrapper_5flambda_594', ['posres_wrapper_lambda', ['../position__restraints_8h.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp'],\n-        ['../position__restraints_8cpp.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp']\n+    ['posres_5fwrapper_5flambda_594', ['posres_wrapper_lambda', ['../position__restraints_8cpp.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp'],\n+        ['../position__restraints_8h.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp']\n     ]],\n     ['posres_5fxa_595', ['posres_xA', ['../structgmx__molblock__t.xhtml#a91f1775f42ddf8a37ad39b0b7459d267', 1, 'gmx_molblock_t']]],\n     ['posres_5fxb_596', ['posres_xB', ['../structgmx__molblock__t.xhtml#a5b3613d862d2a95219d7777ee428a636', 1, 'gmx_molblock_t']]],\n     ['postprocess_5fitem_5fsubexpressions_597', ['postprocess_item_subexpressions', ['../compiler_8cpp.xhtml#a794bd695ad208084dc7018e4c90735c1', 1, 'compiler.cpp']]],\n     ['postprocessforces_598', ['postProcessForces', ['../namespacegmx.xhtml#a6df04b142f03474fd77dd1b6f370553f', 1, 'gmx']]],\n     ['postprocessforcewithshiftforces_599', ['postProcessForceWithShiftForces', ['../namespacegmx.xhtml#a66e4fbbc6684439ec7c3246d6be3bc31', 1, 'gmx']]],\n     ['potanglefit_600', ['PotAngleFit', ['../structgmx__enfrotgrp.xhtml#a4cc2873968b4ca417ed95b384e0071f6', 1, 'gmx_enfrotgrp']]],\n     ['potential_601', ['potential', ['../classgmx_1_1AwhParams.xhtml#acb463578c26791ab925cbccf9b80a54c', 1, 'gmx::AwhParams']]],\n     ['potentialenergytoleranceforsystem_5fg_602', ['potentialEnergyToleranceForSystem_g', ['../namespacegmx_1_1test_1_1anonymous__namespace_02minimize_8cpp_03.xhtml#ad5974d97a10a30cde5ab5fd313209934', 1, 'gmx::test::anonymous_namespace{minimize.cpp}']]],\n     ['potentialpointdata_603', ['potentialpointdata', ['../classgmx_1_1PotentialPointData.xhtml', 1, 'gmx::PotentialPointData'],\n-        ['../classgmx_1_1PotentialPointData.xhtml#ac14487f6eed0c13f63ae059a67475ea9', 1, 'gmx::PotentialPointData::PotentialPointData(const Vector &amp;f, const real e)'],\n-        ['../classgmx_1_1PotentialPointData.xhtml#a8e8485dce1b281d718953552e9d53f6b', 1, 'gmx::PotentialPointData::PotentialPointData()']\n+        ['../classgmx_1_1PotentialPointData.xhtml#a8e8485dce1b281d718953552e9d53f6b', 1, 'gmx::PotentialPointData::PotentialPointData()'],\n+        ['../classgmx_1_1PotentialPointData.xhtml#ac14487f6eed0c13f63ae059a67475ea9', 1, 'gmx::PotentialPointData::PotentialPointData(const Vector &amp;f, const real e)']\n     ]],\n     ['potentialswitchfunction_604', ['potentialSwitchFunction', ['../namespacegmx.xhtml#a590bff027abbf17255630f3832bdf0d5', 1, 'gmx']]],\n     ['potentialswitchfunctionderivative_605', ['potentialSwitchFunctionDerivative', ['../namespacegmx.xhtml#a76be08d6aa10394167c1f800488e5e86', 1, 'gmx']]],\n     ['power12_606', ['power12', ['../namespacegmx.xhtml#a800ac84e9ee71a2dc0eedda74bea1513', 1, 'gmx']]],\n     ['power3_607', ['power3', ['../namespacegmx.xhtml#abda6daf50f5129fb74816db29e411497', 1, 'gmx']]],\n     ['power4_608', ['power4', ['../namespacegmx.xhtml#a304b15bae3a2a8277f686d4dfc9fa946', 1, 'gmx']]],\n     ['power5_609', ['power5', ['../namespacegmx.xhtml#a4bb914d3b8bf083485bb26c88d2b9dda', 1, 'gmx']]],\n@@ -1071,32 +1071,32 @@\n     ['pr_5fint64_631', ['pr_int64', ['../txtdump_8h.xhtml#a824a8160b4b8cdbf193925289351b8e4', 1, 'txtdump.cpp']]],\n     ['pr_5freal_632', ['pr_real', ['../txtdump_8h.xhtml#a75eacf863b559f26547aaa9fdca58264', 1, 'txtdump.cpp']]],\n     ['pr_5freals_633', ['pr_reals', ['../txtdump_8h.xhtml#aeba7744c5926350234d68c9c090c0055', 1, 'txtdump.h']]],\n     ['pr_5freals_5fof_5fdim_634', ['pr_reals_of_dim', ['../txtdump_8h.xhtml#a6409e046cff937b31a3e002ce8e62987', 1, 'txtdump.cpp']]],\n     ['pr_5fsortblock_635', ['pr_sortblock', ['../namespacegmx.xhtml#a0345bd9e1cccd650f3a33167767b8330', 1, 'gmx']]],\n     ['pr_5fstr_636', ['pr_str', ['../txtdump_8h.xhtml#a2d53eb96ae1892f5477a08446c6ba938', 1, 'txtdump.cpp']]],\n     ['pr_5fstrings_637', ['pr_strings', ['../txtdump_8h.xhtml#ab7c19cf341c011e9380c48a45f08945e', 1, 'txtdump.cpp']]],\n-    ['pr_5fsymtab_638', ['pr_symtab', ['../symtab_8h.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp'],\n-        ['../symtab_8cpp.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp']\n+    ['pr_5fsymtab_638', ['pr_symtab', ['../symtab_8cpp.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp'],\n+        ['../symtab_8h.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp']\n     ]],\n     ['pr_5ftitle_639', ['pr_title', ['../txtdump_8h.xhtml#a078408ce82d80e57f8210841db52968f', 1, 'txtdump.cpp']]],\n     ['pr_5ftitle_5fn_640', ['pr_title_n', ['../txtdump_8h.xhtml#a415b7a0984248fe79f632a86903ac272', 1, 'txtdump.cpp']]],\n     ['pr_5ftitle_5fnxn_641', ['pr_title_nxn', ['../txtdump_8h.xhtml#aaff92cafa6d475174d54679a6e2482e5', 1, 'txtdump.cpp']]],\n     ['practice_642', ['The subset you should use in practice', ['../page_simd.xhtml#autotoc_md63', 1, '']]],\n     ['pre_20loop_643', ['Pre-loop', ['../page_modularsimulator.xhtml#autotoc_md16', 1, '']]],\n     ['prec_644', ['prec', ['../structgmx_1_1OutputRequirements.xhtml#af02d3b025c77f0d3613e297780fb11ff', 1, 'gmx::OutputRequirements']]],\n     ['precision_645', ['precision', ['../structgmx_1_1OutputRequirements.xhtml#aee903d8ecd680b223f2fb4e8f2dcdfed', 1, 'gmx::OutputRequirements']]],\n     ['precisiontostring_646', ['precisionToString', ['../namespacegmx_1_1anonymous__namespace_02handlerestart_8cpp_03.xhtml#a9954e5cc237ab8b98c6b9bac8763ab08', 1, 'gmx::anonymous_namespace{handlerestart.cpp}']]],\n     ['predefined_20simd_20preprocessor_20macros_647', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n     ['prefixformatter_648', ['PrefixFormatter', ['../structgmx_1_1test_1_1PrefixFormatter.xhtml', 1, 'gmx::test']]],\n     ['prepare_5fverlet_5fscheme_649', ['prepare_verlet_scheme', ['../runner_8cpp.xhtml#aa4b15c064f765093c1c3b0e45a18aa98', 1, 'runner.cpp']]],\n     ['prepareandtransformcoordinates_650', ['prepareAndTransformCoordinates', ['../classgmx_1_1ProcessFrameConversion.xhtml#a5405e7fd418257241a6d0e400058b96a', 1, 'gmx::ProcessFrameConversion']]],\n     ['prepareandwriteframe_651', ['prepareAndWriteFrame', ['../classgmx_1_1TrajectoryFrameWriter.xhtml#acc5edf13582d28d697d901486876ea1a', 1, 'gmx::TrajectoryFrameWriter']]],\n-    ['prepareatompositions_652', ['prepareatompositions', ['../classgmx_1_1TorchModel.xhtml#acf5b8cb47569b80d17746b025e8beb66', 1, 'gmx::TorchModel::prepareAtomPositions()'],\n-        ['../classgmx_1_1INNPotModel.xhtml#aef08bbdf7582e2c9ccb0025f14e77f8c', 1, 'gmx::INNPotModel::prepareAtomPositions()']\n+    ['prepareatompositions_652', ['prepareatompositions', ['../classgmx_1_1INNPotModel.xhtml#aef08bbdf7582e2c9ccb0025f14e77f8c', 1, 'gmx::INNPotModel::prepareAtomPositions()'],\n+        ['../classgmx_1_1TorchModel.xhtml#acf5b8cb47569b80d17746b025e8beb66', 1, 'gmx::TorchModel::prepareAtomPositions()']\n     ]],\n     ['prepareawhmodule_653', ['prepareAwhModule', ['../namespacegmx.xhtml#a0f0dc8801f18ac6085f049b6053eaee5', 1, 'gmx']]],\n     ['preparedefaultmdpfieldvalues_654', ['prepareDefaultMdpFieldValues', ['../namespacegmx_1_1test_1_1anonymous__namespace_02simulationdatabase_8cpp_03.xhtml#ae1d7e98e184a23dde3294e0a9ee38ed9', 1, 'gmx::test::anonymous_namespace{simulationdatabase.cpp}']]],\n     ['prepareforappending_655', ['prepareForAppending', ['../namespacegmx_1_1anonymous__namespace_02handlerestart_8cpp_03.xhtml#ad50fb84ccce6088fa1650a09a3ea513c', 1, 'gmx::anonymous_namespace{handlerestart.cpp}']]],\n     ['prepareforpositionassembly_656', ['prepareForPositionAssembly', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a3bb55b11c345deed80ca37875c54e260', 1, 'gmx::ImdSession::Impl']]],\n     ['preparegpukernelargument_657', ['preparegpukernelargument', ['../oclutils_8h.xhtml#a2880665aed29367c17b0b3b71dcd9049', 1, 'prepareGpuKernelArgument(cl_kernel kernel, const KernelLaunchConfig &amp;config, size_t argIndex, const CurrentArg *argPtr, const RemainingArgs *... otherArgsPtrs):&#160;oclutils.h'],\n         ['../oclutils_8h.xhtml#ae38b731b0072ddca1ef4f6bf43fc0dcb', 1, 'prepareGpuKernelArgument(cl_kernel kernel, const KernelLaunchConfig &amp;config, size_t argIndex):&#160;oclutils.h']\n@@ -1115,49 +1115,49 @@\n     ['prepareprevsteppullcom_667', ['preparePrevStepPullCom', ['../pull_8h.xhtml#ace0e8cabf9ba2e4c466681267fe30616', 1, 'pull.cpp']]],\n     ['prepareprevsteppullcomnewsimulation_668', ['preparePrevStepPullComNewSimulation', ['../pull_8h.xhtml#aaf91fb3c6408dd4d40dcbc60b8f3346e', 1, 'pull.h']]],\n     ['preparereferencedata_669', ['prepareReferenceData', ['../classgmx_1_1test_1_1PeriodicActionsTest.xhtml#aaf17a8df8c6213ad4bd4632c538e0d9d', 1, 'gmx::test::PeriodicActionsTest']]],\n     ['preparererunstate_670', ['prepareRerunState', ['../gromacs_2mdrun_2rerun_8cpp.xhtml#a3a61805a1314c7094d6985f312b796d3', 1, 'rerun.cpp']]],\n     ['preparetest_671', ['preparetest', ['../classgmx_1_1test_1_1SetAtomsSupportedFiles.xhtml#a55a125582f82a0bef2e0be090626569e', 1, 'gmx::test::SetAtomsSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetAtomsUnSupportedFiles.xhtml#a1472dda69601bf20c6af26c8970863d7', 1, 'gmx::test::SetAtomsUnSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1AnyOutputSupportedFiles.xhtml#abd33db6ae6c7bb966a3cf70d93eed90e', 1, 'gmx::test::AnyOutputSupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1NoOptionalOutput.xhtml#a75b0b89f9b03980e5efa151f10747fb0', 1, 'gmx::test::NoOptionalOutput::prepareTest()'],\n         ['../classgmx_1_1test_1_1OutputSelectorDeathTest.xhtml#ab2c7e9ee595f837c1677769522c9707f', 1, 'gmx::test::OutputSelectorDeathTest::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetVelocitySupportedFiles.xhtml#a5c721c58a519211d2984f31306d591bd', 1, 'gmx::test::SetVelocitySupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetVelocityUnSupportedFiles.xhtml#a8fefeae96caffc87c2c27abf1dd7751e', 1, 'gmx::test::SetVelocityUnSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetForceSupportedFiles.xhtml#ad959f70a7f9a9268ddcb28b607d27888', 1, 'gmx::test::SetForceSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetForceUnSupportedFiles.xhtml#ad6fca57625ab6f39c8854f457c40858e', 1, 'gmx::test::SetForceUnSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetPrecisionSupportedFiles.xhtml#ae99227b78afd7add07d701841a056e35', 1, 'gmx::test::SetPrecisionSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetPrecisionUnSupportedFiles.xhtml#a8d07c06ca5994941a6b0d53eaf71afb6', 1, 'gmx::test::SetPrecisionUnSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1NoOptionalOutput.xhtml#a75b0b89f9b03980e5efa151f10747fb0', 1, 'gmx::test::NoOptionalOutput::prepareTest()']\n+        ['../classgmx_1_1test_1_1SetPrecisionUnSupportedFiles.xhtml#a8d07c06ca5994941a6b0d53eaf71afb6', 1, 'gmx::test::SetPrecisionUnSupportedFiles::prepareTest()']\n     ]],\n     ['preparevmdforces_672', ['prepareVmdForces', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a17780bb21381fe37591b6c612b30fe76', 1, 'gmx::ImdSession::Impl']]],\n-    ['prependcontext_673', ['prependcontext', ['../classgmx_1_1anonymous__namespace_02exceptions_8cpp_03_1_1ErrorMessage.xhtml#a35872d2133a1587fde1aac5580bddbab', 1, 'gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage::prependContext()'],\n-        ['../classgmx_1_1GromacsException.xhtml#a1bd116912e67c096ae949ddae85afe06', 1, 'gmx::GromacsException::prependContext()']\n+    ['prependcontext_673', ['prependcontext', ['../classgmx_1_1GromacsException.xhtml#a1bd116912e67c096ae949ddae85afe06', 1, 'gmx::GromacsException::prependContext()'],\n+        ['../classgmx_1_1anonymous__namespace_02exceptions_8cpp_03_1_1ErrorMessage.xhtml#a35872d2133a1587fde1aac5580bddbab', 1, 'gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage::prependContext()']\n     ]],\n     ['preprocess_674', ['preprocess', ['../classgmx_1_1NNPotTopologyPreprocessor.xhtml#ad1686d5726f7554a4043e1d29fc8fc51', 1, 'gmx::NNPotTopologyPreprocessor::preprocess()'],\n         ['../classgmx_1_1QMMMTopologyPreprocessor.xhtml#a62a8eb1d8ab64aca76d9c1c6fbf53530', 1, 'gmx::QMMMTopologyPreprocessor::preprocess()']\n     ]],\n-    ['preprocessingatomtypes_675', ['preprocessingatomtypes', ['../classPreprocessingAtomTypes.xhtml', 1, 'PreprocessingAtomTypes'],\n-        ['../classPreprocessingAtomTypes.xhtml#ab564e1e5edd0850f93716d5d8b56e7b9', 1, 'PreprocessingAtomTypes::PreprocessingAtomTypes()']\n+    ['preprocessingatomtypes_675', ['preprocessingatomtypes', ['../classPreprocessingAtomTypes.xhtml#ab564e1e5edd0850f93716d5d8b56e7b9', 1, 'PreprocessingAtomTypes::PreprocessingAtomTypes()'],\n+        ['../classPreprocessingAtomTypes.xhtml', 1, 'PreprocessingAtomTypes']\n     ]],\n     ['preprocessingbondatomtype_676', ['PreprocessingBondAtomType', ['../classPreprocessingBondAtomType.xhtml', 1, '']]],\n     ['preprocessingnotifier_5f_677', ['preProcessingNotifier_', ['../structgmx_1_1MDModulesNotifiers.xhtml#a491f3247b6bc681d6b97dc9db91028a1', 1, 'gmx::MDModulesNotifiers']]],\n     ['preprocessor_20macros_678', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n     ['preprocessresidue_679', ['PreprocessResidue', ['../structPreprocessResidue.xhtml', 1, '']]],\n     ['pres_680', ['pres', ['../structgmx__repl__ex.xhtml#a4727f9623b6a6995110132c968cb2165', 1, 'gmx_repl_ex']]],\n     ['pres_5fprev_681', ['pres_prev', ['../classt__state.xhtml#affdc7fa00e6e77e6f80cb7e8457e777d', 1, 't_state']]],\n-    ['present_682', ['present', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a4e9e2e103711b6302c6e82121ec8eef3', 1, 'gmx::AnalysisDataFrameRef::present()'],\n-        ['../classgmx_1_1AnalysisDataPointSetRef.xhtml#a69f1255e4e4115a9b183f7be0be7760c', 1, 'gmx::AnalysisDataPointSetRef::present()'],\n-        ['../classgmx_1_1test_1_1AnalysisDataTestInputPointSet.xhtml#ace934e632ac88246da704f878ee85b5c', 1, 'gmx::test::AnalysisDataTestInputPointSet::present()']\n+    ['present_682', ['present', ['../classgmx_1_1test_1_1AnalysisDataTestInputPointSet.xhtml#ace934e632ac88246da704f878ee85b5c', 1, 'gmx::test::AnalysisDataTestInputPointSet::present()'],\n+        ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a4e9e2e103711b6302c6e82121ec8eef3', 1, 'gmx::AnalysisDataFrameRef::present()'],\n+        ['../classgmx_1_1AnalysisDataPointSetRef.xhtml#a69f1255e4e4115a9b183f7be0be7760c', 1, 'gmx::AnalysisDataPointSetRef::present()']\n     ]],\n     ['presentalldata_683', ['presentAllData', ['../classgmx_1_1test_1_1AnalysisDataTestFixture.xhtml#ab07eb7b9cb4b5e0fb8fc85c196223f06', 1, 'gmx::test::AnalysisDataTestFixture']]],\n     ['presentdata_684', ['presentData', ['../classgmx_1_1AnalysisDataModuleManager_1_1Impl.xhtml#a58d11e5cb995d8ee2a8b150b80e96015', 1, 'gmx::AnalysisDataModuleManager::Impl']]],\n     ['presentdataframe_685', ['presentDataFrame', ['../classgmx_1_1test_1_1AnalysisDataTestFixture.xhtml#a89e3f46a66165f59608fb91cdec5257c', 1, 'gmx::test::AnalysisDataTestFixture']]],\n     ['preserveboxshape_686', ['preserveBoxShape', ['../state_8h.xhtml#a0f2e4adc7362d30d4ecfab4f23f25de5', 1, 'state.cpp']]],\n-    ['pressure_687', ['pressure', ['../classgmx_1_1EnergyData.xhtml#a0bb52df1038789c62a164a849698f2b5', 1, 'gmx::EnergyData::pressure()'],\n-        ['../structDispersionCorrection_1_1Correction.xhtml#a92a3c13d5a3f1ca5d2b3598b5409def7', 1, 'DispersionCorrection::Correction::pressure']\n+    ['pressure_687', ['pressure', ['../structDispersionCorrection_1_1Correction.xhtml#a92a3c13d5a3f1ca5d2b3598b5409def7', 1, 'DispersionCorrection::Correction::pressure'],\n+        ['../classgmx_1_1EnergyData.xhtml#a0bb52df1038789c62a164a849698f2b5', 1, 'gmx::EnergyData::pressure()']\n     ]],\n     ['pressure_5f_688', ['pressure_', ['../classgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTest.xhtml#a3e21f62fdd4229953fe526ba7c74a9f1', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest']]],\n     ['pressurecoupling_689', ['PressureCoupling', ['../md__enums_8h.xhtml#a75403865033b1e929fe40f0119cabfb3', 1, 'md_enums.h']]],\n     ['pressurecouplingoptionstostring_690', ['pressureCouplingOptionsToString', ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#aa448f87e5bc69a5a5ee4cb09b855dec6', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n     ['pressurecouplingscheme_691', ['pressureCouplingScheme', ['../structgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTestParameters.xhtml#a5461cc0b111fbe5cf8fe059573a0601c', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTestParameters']]],\n     ['pressurecouplingtype_692', ['PressureCouplingType', ['../md__enums_8h.xhtml#ab9101457c43f890d83e2f61b04c80b88', 1, 'md_enums.h']]],\n     ['pressurematrixtype_693', ['PressureMatrixType', ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#a776ec8348aff2ffd8b62d32d6c54bbea', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n@@ -1195,45 +1195,45 @@\n     ['print_5forires_5flog_721', ['print_orires_log', ['../orires_8h.xhtml#a558c2a0b81d1976025f8f0efd51af375', 1, 'orires.cpp']]],\n     ['print_5fpme_5floadbal_5fsetting_722', ['print_pme_loadbal_setting', ['../pme__load__balancing_8cpp.xhtml#a34ad2116d0baa736e0d155ba956bf062', 1, 'pme_load_balancing.cpp']]],\n     ['print_5fpme_5floadbal_5fsettings_723', ['print_pme_loadbal_settings', ['../pme__load__balancing_8cpp.xhtml#a738403c89c46ba35701c160e156915fa', 1, 'pme_load_balancing.cpp']]],\n     ['print_5freplica_5fexchange_5fstatistics_724', ['print_replica_exchange_statistics', ['../replicaexchange_8h.xhtml#ac242f2189cc51aa6ffb4a1b5768eab7d', 1, 'replicaexchange.h']]],\n     ['print_5fresall_725', ['print_resall', ['../resall_8h.xhtml#afbd28b7c0e308005c53b31f428715e5e', 1, 'resall.cpp']]],\n     ['print_5fstart_726', ['print_start', ['../printtime_8h.xhtml#a6cf8ede86906fc405824ad5ba33578ff', 1, 'printtime.h']]],\n     ['print_5ftime_727', ['print_time', ['../printtime_8h.xhtml#a2b2cf213aae64f2f3992ac2fee167bb7', 1, 'printtime.h']]],\n-    ['printbinaryinformation_728', ['printbinaryinformation', ['../classgmx_1_1BinaryInformationSettings.xhtml#ae1ca1f3759dfd30915c86eb6461c35f8', 1, 'gmx::BinaryInformationSettings::printBinaryInformation'],\n+    ['printbinaryinformation_728', ['printbinaryinformation', ['../namespacegmx.xhtml#ad0c6bc3dc4ee812f31a6076c7d4f42a9', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)'],\n+        ['../namespacegmx.xhtml#a0ea11527285a0547aafa0ee27c4f4817', 1, 'gmx::printBinaryInformation(TextWriter *writer, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)'],\n         ['../namespacegmx.xhtml#aff67fcd64bdaa64a3823cc1a322a6783', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext)'],\n-        ['../namespacegmx.xhtml#ad0c6bc3dc4ee812f31a6076c7d4f42a9', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)'],\n-        ['../namespacegmx.xhtml#a0ea11527285a0547aafa0ee27c4f4817', 1, 'gmx::printBinaryInformation(TextWriter *writer, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)']\n+        ['../classgmx_1_1BinaryInformationSettings.xhtml#ae1ca1f3759dfd30915c86eb6461c35f8', 1, 'gmx::BinaryInformationSettings::printBinaryInformation']\n     ]],\n     ['printcurrentstatus_729', ['printCurrentStatus', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#ab287e09e32b67a7d8eb6c426cbea825e', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}']]],\n     ['printcycles_730', ['printCycles', ['../structgmx_1_1SearchCycleCounting.xhtml#a4d10d3b49fe8ab3b697ca98128aadc76', 1, 'gmx::SearchCycleCounting']]],\n     ['printdebuginfo_731', ['printDebugInfo', ['../classgmx_1_1Selection.xhtml#a83cdc66c0202739e8e7dd1c1add3492b', 1, 'gmx::Selection']]],\n     ['printfatalerrorfooter_732', ['printFatalErrorFooter', ['../group__module__utility.xhtml#gadcb892c734184fade6b913a4d3a66aa7', 1, 'gmx::internal']]],\n     ['printfatalerrorheader_733', ['printFatalErrorHeader', ['../group__module__utility.xhtml#ga34257490d770efb0f6a87adeef2629c6', 1, 'gmx::internal']]],\n     ['printfatalerrormessage_734', ['printFatalErrorMessage', ['../group__module__utility.xhtml#gac6287dc8a550a2d54429e44994e00e58', 1, 'gmx']]],\n     ['printfatalerrormessageline_735', ['printFatalErrorMessageLine', ['../group__module__utility.xhtml#ga0a42e4f258d42ec3a31c6a633de8d5da', 1, 'gmx::internal']]],\n     ['printhdf5errorsdebug_736', ['printHdf5ErrorsDebug', ['../namespacegmx.xhtml#ab817247c14460e07ba037d9bf1ee026f', 1, 'gmx']]],\n-    ['printhelp_737', ['printhelp', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03.xhtml#ad26aa404f4b172bbb70761f5601e1e6b', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::printHelp()'],\n-        ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#abe93236807caafdef3d12bf607712457', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}::printHelp()']\n+    ['printhelp_737', ['printhelp', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#abe93236807caafdef3d12bf607712457', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}::printHelp()'],\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03.xhtml#ad26aa404f4b172bbb70761f5601e1e6b', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::printHelp()']\n     ]],\n     ['printinfo_738', ['printInfo', ['../classgmx_1_1Selection.xhtml#a65669ac067cf817dd81dd54545cbad1e', 1, 'gmx::Selection']]],\n     ['printinitializationtolog_739', ['printInitializationToLog', ['../classgmx_1_1Bias.xhtml#ab98de3aa653a1e218fb158592b357333', 1, 'gmx::Bias']]],\n     ['printlambdastatetolog_740', ['printLambdaStateToLog', ['../state_8h.xhtml#a7c02def220ba38fd0b4d43394b46a1f6', 1, 'state.cpp']]],\n     ['printmissinginteractionsatoms_741', ['printMissingInteractionsAtoms', ['../namespacegmx.xhtml#ae65e5b55ff548e7bfe1a7c87e3dbe492', 1, 'gmx']]],\n     ['printmissinginteractionsmolblock_742', ['printMissingInteractionsMolblock', ['../namespacegmx.xhtml#ae745a97b913d8883598f292573c042c2', 1, 'gmx']]],\n     ['printnbnxmpressureerror_743', ['printNbnxmPressureError', ['../namespacegmx.xhtml#a70e7a975019d7f9f2b250dd86107949a', 1, 'gmx']]],\n     ['printreplicaexchangeparameterstostring_744', ['PrintReplicaExchangeParametersToString', ['../structgmx_1_1test_1_1PrintReplicaExchangeParametersToString.xhtml', 1, 'gmx::test']]],\n     ['printstringtablestoragetofile_745', ['printStringTableStorageToFile', ['../classStringTable.xhtml#a43471fd15acff612e6fbf75df17328f3', 1, 'StringTable']]],\n     ['printthanks_746', ['printThanks', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#a05cae832d1e990febdd2035ed4dae99c', 1, 'gmx::CommandLineModuleManager::Impl']]],\n     ['printtime_2eh_747', ['printtime.h', ['../printtime_8h.xhtml', 1, '']]],\n-    ['printto_748', ['printto', ['../namespacegmx_1_1test_1_1anonymous__namespace_02constr_8cpp_03.xhtml#a146ac5d0721d0bbff854d6b43bd3c594', 1, 'gmx::test::anonymous_namespace{constr.cpp}::PrintTo()'],\n-        ['../tests_2constr_8cpp.xhtml#ad8707751bcf9b7561997be4d4509f919', 1, 'PrintTo():&#160;constr.cpp'],\n-        ['../namespacegmx.xhtml#a8cc01a6cbd2e745e2859c1c597de99f0', 1, 'gmx::PrintTo(const PaddedVector&lt; RVec &gt; &amp;vector, std::ostream *os)'],\n+    ['printto_748', ['printto', ['../tests_2confio_8cpp.xhtml#ae9ec9498ed69d6298c4cec343dbf6eea', 1, 'PrintTo():&#160;confio.cpp'],\n         ['../namespacegmx.xhtml#a48139736d8f5906f2262d2219909e972', 1, 'gmx::PrintTo(const RVec &amp;value, std::ostream *os)'],\n-        ['../tests_2confio_8cpp.xhtml#ae9ec9498ed69d6298c4cec343dbf6eea', 1, 'PrintTo():&#160;confio.cpp']\n+        ['../namespacegmx.xhtml#a8cc01a6cbd2e745e2859c1c597de99f0', 1, 'gmx::PrintTo(const PaddedVector&lt; RVec &gt; &amp;vector, std::ostream *os)'],\n+        ['../tests_2constr_8cpp.xhtml#ad8707751bcf9b7561997be4d4509f919', 1, 'PrintTo():&#160;constr.cpp'],\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02constr_8cpp_03.xhtml#a146ac5d0721d0bbff854d6b43bd3c594', 1, 'gmx::test::anonymous_namespace{constr.cpp}::PrintTo()']\n     ]],\n     ['printtree_749', ['printtree', ['../classgmx_1_1PositionCalculationCollection.xhtml#ab4cb9e76c9189929571b6120c02fdb15', 1, 'gmx::PositionCalculationCollection::printTree()'],\n         ['../classgmx_1_1SelectionCollection.xhtml#af818d2c18b1f062f98535ea2310cf9d6', 1, 'gmx::SelectionCollection::printTree(FILE *fp, bool bValues) const']\n     ]],\n     ['printxvgrinfo_750', ['printXvgrInfo', ['../classgmx_1_1SelectionCollection.xhtml#a258632c31196a32960eac628c9ccd7f9', 1, 'gmx::SelectionCollection']]],\n     ['prob_751', ['prob', ['../structgmx__repl__ex.xhtml#a3f7ac1e9d6c7f8aa5c82ae73d8e82435', 1, 'gmx_repl_ex']]],\n     ['prob_5fsum_752', ['prob_sum', ['../structgmx__repl__ex.xhtml#afe91de4fe29e4757a00af03b1d4da003', 1, 'gmx_repl_ex']]],\n@@ -1241,42 +1241,42 @@\n     ['process_5fconst_754', ['process_const', ['../compiler_8cpp.xhtml#a3a79847d59f377e50695756feae2818d', 1, 'compiler.cpp']]],\n     ['processall_755', ['processall', ['../classgmx_1_1AbstractOptionStorage.xhtml#a1ed3015bac2e5a4af9631fb8fef8cd39', 1, 'gmx::AbstractOptionStorage::processAll()'],\n         ['../classgmx_1_1OptionStorageTemplate.xhtml#a9415930b33cf36ebc49d2040b3df1ed1', 1, 'gmx::OptionStorageTemplate::processAll()']\n     ]],\n     ['processatomsredistributedsignal_756', ['processAtomsRedistributedSignal', ['../classgmx_1_1ColvarsForceProvider.xhtml#a7e4338e0cff17f65c590c5e188d55d5f', 1, 'gmx::ColvarsForceProvider']]],\n     ['processawhframe_757', ['processAwhFrame', ['../classAwhReader.xhtml#a2daf556d976fa7b201ba3f74c8400c8b', 1, 'AwhReader']]],\n     ['processcommonoptions_758', ['processCommonOptions', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#a98689b63c70ad2e9a03104894fa94fe3', 1, 'gmx::CommandLineModuleManager::Impl']]],\n-    ['processcoordinates_759', ['processcoordinates', ['../classgmx_1_1ColvarsOptions.xhtml#a8f46ded54da0f0bd0824a2ef1e4ab87d', 1, 'gmx::ColvarsOptions::processCoordinates()'],\n-        ['../classgmx_1_1QMMMOptions.xhtml#a6b4615a64c4e8b468cf26b5862e47ca2', 1, 'gmx::QMMMOptions::processCoordinates()']\n+    ['processcoordinates_759', ['processcoordinates', ['../classgmx_1_1QMMMOptions.xhtml#a6b4615a64c4e8b468cf26b5862e47ca2', 1, 'gmx::QMMMOptions::processCoordinates()'],\n+        ['../classgmx_1_1ColvarsOptions.xhtml#a8f46ded54da0f0bd0824a2ef1e4ab87d', 1, 'gmx::ColvarsOptions::processCoordinates(const CoordinatesAndBoxPreprocessed &amp;coord)']\n     ]],\n     ['processedrfilename_760', ['processEdrFilename', ['../classgmx_1_1ColvarsOptions.xhtml#a1fb943de3010cf577bc68ff8f88f88f5', 1, 'gmx::ColvarsOptions']]],\n     ['processexceptionasfatalerror_761', ['processExceptionAsFatalError', ['../group__module__utility.xhtml#ga13076c5bb17dd3bf90f683af835b8b62', 1, 'gmx']]],\n     ['processexceptionatexit_762', ['processExceptionAtExit', ['../group__module__utility.xhtml#ga5a45f49e157fa8e1059d24243283e248', 1, 'gmx']]],\n     ['processexceptionatexitforcommandline_763', ['processExceptionAtExitForCommandLine', ['../namespacegmx.xhtml#ad8fe34835a6e197f2731e7d604f28992', 1, 'gmx']]],\n     ['processexpectedexception_764', ['processExpectedException', ['../testasserts_8h.xhtml#a70e5df8e89a760f1a7b0b729ae79d9e9', 1, 'gmx::test::internal']]],\n-    ['processframe_765', ['processframe', ['../classgmx_1_1SetForces.xhtml#ab6b102111de37f9de56baa55b54e9d4c', 1, 'gmx::SetForces::processFrame()'],\n-        ['../classgmx_1_1SetPrecision.xhtml#aa0c17362c51113f315d3985a1b87db43', 1, 'gmx::SetPrecision::processFrame()'],\n-        ['../classgmx_1_1SetStartTime.xhtml#a1a0e96a360061ca80d4c1021b428d18f', 1, 'gmx::SetStartTime::processFrame()'],\n+    ['processframe_765', ['processframe', ['../classgmx_1_1SetStartTime.xhtml#a1a0e96a360061ca80d4c1021b428d18f', 1, 'gmx::SetStartTime::processFrame()'],\n+        ['../classgmx_1_1IOutputAdapter.xhtml#a0600c39ab0392347654f7e4984fe55b0', 1, 'gmx::IOutputAdapter::processFrame()'],\n+        ['../classgmx_1_1OutputSelector.xhtml#a18b9cfa903a2140d038b85e44f0d728b', 1, 'gmx::OutputSelector::processFrame()'],\n+        ['../classgmx_1_1SetAtoms.xhtml#aa2ca3ec1cd6987c1af76bf3eaed208d1', 1, 'gmx::SetAtoms::processFrame()'],\n         ['../classgmx_1_1SetTimeStep.xhtml#a94ffdac361572d0d678595faa5ca34f7', 1, 'gmx::SetTimeStep::processFrame()'],\n         ['../classgmx_1_1SetVelocities.xhtml#a8e040a226a533cf085ecf264f4bcbb39', 1, 'gmx::SetVelocities::processFrame()'],\n         ['../classgmx_1_1SetBox.xhtml#ad4fb823cdc838cbe1253f1b720659552', 1, 'gmx::SetBox::processFrame()'],\n-        ['../classgmx_1_1SetAtoms.xhtml#aa2ca3ec1cd6987c1af76bf3eaed208d1', 1, 'gmx::SetAtoms::processFrame()'],\n-        ['../classgmx_1_1OutputSelector.xhtml#a18b9cfa903a2140d038b85e44f0d728b', 1, 'gmx::OutputSelector::processFrame()'],\n-        ['../classgmx_1_1IOutputAdapter.xhtml#a0600c39ab0392347654f7e4984fe55b0', 1, 'gmx::IOutputAdapter::processFrame()']\n+        ['../classgmx_1_1SetForces.xhtml#ab6b102111de37f9de56baa55b54e9d4c', 1, 'gmx::SetForces::processFrame()'],\n+        ['../classgmx_1_1SetPrecision.xhtml#aa0c17362c51113f315d3985a1b87db43', 1, 'gmx::SetPrecision::processFrame()']\n     ]],\n-    ['processframeconversion_766', ['processframeconversion', ['../classgmx_1_1ProcessFrameConversion.xhtml', 1, 'gmx::ProcessFrameConversion'],\n-        ['../classgmx_1_1ProcessFrameConversion.xhtml#ac312a6f913f3b4c10b1b4506dc3992b4', 1, 'gmx::ProcessFrameConversion::ProcessFrameConversion()']\n+    ['processframeconversion_766', ['processframeconversion', ['../classgmx_1_1ProcessFrameConversion.xhtml#ac312a6f913f3b4c10b1b4506dc3992b4', 1, 'gmx::ProcessFrameConversion::ProcessFrameConversion()'],\n+        ['../classgmx_1_1ProcessFrameConversion.xhtml', 1, 'gmx::ProcessFrameConversion']\n     ]],\n     ['processframeconversionpointer_767', ['ProcessFrameConversionPointer', ['../namespacegmx.xhtml#a738d561c427ed33793a987d6624c16fd', 1, 'gmx']]],\n     ['processid_768', ['processId', ['../classgmx_1_1BinaryInformationSettings.xhtml#abaf2e86d7516dee9612672fbb5c8c661', 1, 'gmx::BinaryInformationSettings']]],\n     ['processing_20modules_769', ['Provided data processing modules', ['../page_analysisdata.xhtml#autotoc_md77', 1, '']]],\n     ['processingunit_770', ['ProcessingUnit', ['../structgmx_1_1HardwareTopology_1_1ProcessingUnit.xhtml', 1, 'gmx::HardwareTopology']]],\n     ['processingunitrankincore_771', ['processingUnitRankInCore', ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#ace41f39d285eb357ca9cc2f6ee2a2790', 1, 'gmx::HardwareTopology::LogicalProcessor']]],\n-    ['processingunits_772', ['processingunits', ['../structgmx_1_1HardwareTopology_1_1NumaNode.xhtml#ac3ab03fb1b97974ef2f25205ab251e1c', 1, 'gmx::HardwareTopology::NumaNode::processingUnits'],\n-        ['../structgmx_1_1HardwareTopology_1_1Core.xhtml#a8fdfecad6961986891247c462ab06979', 1, 'gmx::HardwareTopology::Core::processingUnits']\n+    ['processingunits_772', ['processingunits', ['../structgmx_1_1HardwareTopology_1_1Core.xhtml#a8fdfecad6961986891247c462ab06979', 1, 'gmx::HardwareTopology::Core::processingUnits'],\n+        ['../structgmx_1_1HardwareTopology_1_1NumaNode.xhtml#ac3ab03fb1b97974ef2f25205ab251e1c', 1, 'gmx::HardwareTopology::NumaNode::processingUnits']\n     ]],\n     ['processitem_773', ['processItem', ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a0cd19d6065ab5fa0135ebd18906cc439', 1, 'gmx::test::TestReferenceChecker::Impl']]],\n     ['processmarkup_774', ['processMarkup', ['../classgmx_1_1HelpWriterContext_1_1Impl.xhtml#ae2eb5a09712371d73e78682759335be3', 1, 'gmx::HelpWriterContext::Impl']]],\n     ['processormap_775', ['ProcessorMap', ['../namespacegmx_1_1test_1_1anonymous__namespace_02mockhardwaretopology_8cpp_03.xhtml#a76ede19691b8c64e8dd671292c2e940b', 1, 'gmx::test::anonymous_namespace{mockhardwaretopology.cpp}']]],\n     ['processset_776', ['processset', ['../classgmx_1_1OptionStorageTemplate.xhtml#a777a009a9f2cd3963a9bd774fadfdad2', 1, 'gmx::OptionStorageTemplate::processSet()'],\n         ['../classgmx_1_1AbstractOptionStorage.xhtml#a9aa8495e558f50edd35b80754a508052', 1, 'gmx::AbstractOptionStorage::processSet()']\n     ]],\n@@ -1291,39 +1291,39 @@\n     ]],\n     ['program_784', ['program', ['../structgmx__device__runtime__data__t.xhtml#a131c6f5f31ef679933d8530db2aec912', 1, 'gmx_device_runtime_data_t']]],\n     ['program_20management_20commandline_785', ['Command Line Program Management (commandline)', ['../group__module__commandline.xhtml', 1, '']]],\n     ['programcontext_2ecpp_786', ['programcontext.cpp', ['../programcontext_8cpp.xhtml', 1, '']]],\n     ['programcontext_2eh_787', ['programcontext.h', ['../programcontext_8h.xhtml', 1, '']]],\n     ['programcontext_5f_788', ['programContext_', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#aec22308f1e2209f756a894dd672f0123', 1, 'gmx::CommandLineModuleManager::Impl']]],\n     ['programhandle_5f_789', ['programHandle_', ['../structPmeGpu.xhtml#a6b8587b3b55775d271f0a05b2377ea0d', 1, 'PmeGpu']]],\n-    ['programname_790', ['programname', ['../classgmx_1_1IProgramContext.xhtml#af7114ce30502138b830c6ab1ebe7218a', 1, 'gmx::IProgramContext::programName()'],\n-        ['../group__module__commandline.xhtml#ga549c09e2b1c2d40c2b1645654ac6d98e', 1, 'gmx::CommandLineProgramContext::programName()'],\n+    ['programname_790', ['programname', ['../group__module__commandline.xhtml#ga549c09e2b1c2d40c2b1645654ac6d98e', 1, 'gmx::CommandLineProgramContext::programName()'],\n         ['../classgmx_1_1anonymous__namespace_02programcontext_8cpp_03_1_1DefaultProgramContext.xhtml#abef54ace7516fc4bf108cd185be5f13d', 1, 'gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext::programName()'],\n-        ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a7d7ab243fabe9ee53b7a261b6508c0c6', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::programName()']\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a7d7ab243fabe9ee53b7a261b6508c0c6', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::programName()'],\n+        ['../classgmx_1_1IProgramContext.xhtml#af7114ce30502138b830c6ab1ebe7218a', 1, 'gmx::IProgramContext::programName()']\n     ]],\n     ['project_5fto_5feigvectors_791', ['project_to_eigvectors', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#afe413df193477fd5579ba5dc476af94a', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['projectx_792', ['projectx', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#a51dbf031e475b6a7db752e30fd49d772', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['promptline_793', ['promptLine', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#a4725dbb58fb88906d3e3f60fabad6903', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}']]],\n-    ['prop_794', ['prop', ['../classAtomProperties_1_1Impl.xhtml#ae053674382c8aba1e9672a462aa46a34', 1, 'AtomProperties::Impl::prop'],\n-        ['../classAtomProperties.xhtml#a989a1bbdaf2caddb0696947bfa9419a7', 1, 'AtomProperties::prop()']\n+    ['prop_794', ['prop', ['../classAtomProperties.xhtml#a989a1bbdaf2caddb0696947bfa9419a7', 1, 'AtomProperties::prop()'],\n+        ['../classAtomProperties_1_1Impl.xhtml#ae053674382c8aba1e9672a462aa46a34', 1, 'AtomProperties::Impl::prop']\n     ]],\n     ['propagate_5fon_5fcontainer_5fcopy_5fassignment_795', ['propagate_on_container_copy_assignment', ['../classgmx_1_1HostAllocationPolicy.xhtml#af118f1bf88de184a1b6a3655df879591', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagate_5fon_5fcontainer_5fmove_5fassignment_796', ['propagate_on_container_move_assignment', ['../classgmx_1_1HostAllocationPolicy.xhtml#ad784820686c118595c511a1c323ada53', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagate_5fon_5fcontainer_5fswap_797', ['propagate_on_container_swap', ['../classgmx_1_1HostAllocationPolicy.xhtml#afd1941ab26a2198c5395d662cbe56e9e', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagationparameters_798', ['PropagationParameters', ['../namespacegmx_1_1test.xhtml#a774ca3fa5df95b1187890bf92a0e0cd8', 1, 'gmx::test']]],\n     ['propagationparameterswithconstraints_799', ['propagationParametersWithConstraints', ['../namespacegmx_1_1test.xhtml#a6193e70ad283d80177391e3d3bf79522', 1, 'gmx::test']]],\n     ['propagationparameterswithcoupling_800', ['propagationParametersWithCoupling', ['../namespacegmx_1_1test.xhtml#ae287683c1974989b18151e1147f2b39d', 1, 'gmx::test']]],\n-    ['propagator_801', ['propagator', ['../classgmx_1_1Propagator.xhtml#a0be3f787956d64b6f1db5686085d3791', 1, 'gmx::Propagator::Propagator()'],\n-        ['../classgmx_1_1Propagator.xhtml', 1, 'gmx::Propagator&lt; integrationStage &gt;']\n+    ['propagator_801', ['propagator', ['../classgmx_1_1Propagator.xhtml', 1, 'gmx::Propagator&lt; integrationStage &gt;'],\n+        ['../classgmx_1_1Propagator.xhtml#a0be3f787956d64b6f1db5686085d3791', 1, 'gmx::Propagator::Propagator()']\n     ]],\n     ['propagator_20tt_802', ['&lt;tt&gt;Propagator&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md27', 1, '']]],\n     ['propagator_2ecpp_803', ['propagator.cpp', ['../propagator_8cpp.xhtml', 1, '']]],\n     ['propagator_2eh_804', ['propagator.h', ['../propagator_8h.xhtml', 1, '']]],\n-    ['propagatorcallback_805', ['propagatorcallback', ['../classgmx_1_1MttkData.xhtml#abe7883668ad32a364fb2289b060a1468', 1, 'gmx::MttkData::propagatorCallback()'],\n-        ['../classgmx_1_1MttkPropagatorConnection.xhtml#a667942f1bbef424b2716da739030ad2e', 1, 'gmx::MttkPropagatorConnection::propagatorCallback()'],\n+    ['propagatorcallback_805', ['propagatorcallback', ['../classgmx_1_1MttkPropagatorConnection.xhtml#a667942f1bbef424b2716da739030ad2e', 1, 'gmx::MttkPropagatorConnection::propagatorCallback()'],\n+        ['../classgmx_1_1MttkData.xhtml#abe7883668ad32a364fb2289b060a1468', 1, 'gmx::MttkData::propagatorCallback()'],\n         ['../group__module__modularsimulator.xhtml#ga3396e7f07a04e8c8d3ce40cbfa022c4c', 1, 'gmx::PropagatorCallback']\n     ]],\n     ['propagatorconnection_806', ['PropagatorConnection', ['../structgmx_1_1PropagatorConnection.xhtml', 1, 'gmx']]],\n     ['propagatortag_807', ['propagatortag', ['../structgmx_1_1PropagatorTag.xhtml', 1, 'gmx::PropagatorTag'],\n         ['../group__module__modularsimulator.xhtml#gae5429b9c01d5a4d3e399efca641aa2c9', 1, 'gmx::PropagatorTag::PropagatorTag()']\n     ]],\n     ['propagatortagpostposition_808', ['propagatorTagPostPosition', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#a30ea53994cc965ef3a04dffab77a99b5', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n@@ -1338,18 +1338,18 @@\n     ['prscalingcallback_817', ['prScalingCallback', ['../classgmx_1_1Propagator.xhtml#a8290753edff543fc7792f05aa682fef2', 1, 'gmx::Propagator']]],\n     ['prune_5fk_818', ['prune_k', ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#ad9729d2b798b91ed18b8502a8fba119b', 1, 'gmx::GpuTimers::Interaction']]],\n     ['prunetime_819', ['pruneTime', ['../structgmx__wallclock__gpu__nbnxn__t.xhtml#af892e5f3a38c3ea077d7c2fc9f3875aa', 1, 'gmx_wallclock_gpu_nbnxn_t']]],\n     ['pselstr_820', ['pselstr', ['../structgmx__sel__lexer__t.xhtml#a9903897e32d34014698a94545ccb7c6b', 1, 'gmx_sel_lexer_t']]],\n     ['psi_821', ['psi', ['../structt__bb.xhtml#a147862a6ed22146e070c8237288331e2', 1, 't_bb']]],\n     ['pswitch_822', ['PSwitch', ['../namespacegmx.xhtml#af59447472dd31d8f7c7c14843837b6d6ad4d20db2a8cc5234ee00e37cdf487c5b', 1, 'gmx']]],\n     ['ptcouplingarrays_823', ['PTCouplingArrays', ['../structgmx_1_1PTCouplingArrays.xhtml', 1, 'gmx']]],\n-    ['ptr_824', ['ptr', ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af2cf7f1354c9bc399677ea2e609d4f7f', 1, 'gmx::BoundingBox::Corner::ptr()'],\n-        ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af542b6ae650440a71020651e1c7ac4ef', 1, 'gmx::BoundingBox::Corner::ptr() const'],\n+    ['ptr_824', ['ptr', ['../structgmx__sel__mempool__block__t.xhtml#add25c5d49d8ff2d9655b80cdbb9ffb84', 1, 'gmx_sel_mempool_block_t::ptr'],\n         ['../structgmx__ana__selvalue__t.xhtml#a12b279f9954e6c83e9e9957fcde06e81', 1, 'gmx_ana_selvalue_t::ptr'],\n-        ['../structgmx__sel__mempool__block__t.xhtml#add25c5d49d8ff2d9655b80cdbb9ffb84', 1, 'gmx_sel_mempool_block_t::ptr']\n+        ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af542b6ae650440a71020651e1c7ac4ef', 1, 'gmx::BoundingBox::Corner::ptr() const'],\n+        ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af2cf7f1354c9bc399677ea2e609d4f7f', 1, 'gmx::BoundingBox::Corner::ptr()']\n     ]],\n     ['ptype_825', ['ptype', ['../classSimulationParticle.xhtml#adfbadc49e08a3567f287bf57779863c0', 1, 'SimulationParticle']]],\n     ['public_20api_826', ['Public API', ['../group__group__publicapi.xhtml', 1, '']]],\n     ['puid_827', ['puId', ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#a61aefff6555da4373cb8b84122e196d4', 1, 'gmx::HardwareTopology::LogicalProcessor']]],\n     ['puidincore_828', ['puIdInCore', ['../structgmx_1_1CpuInfo_1_1LogicalProcessor.xhtml#ac3478cc96129471d97e408f93aad07d9', 1, 'gmx::CpuInfo::LogicalProcessor']]],\n     ['pull_829', ['pull', ['../structgmx_1_1ImdOptions.xhtml#a23ce7753d3bfbdc5d7570f09e45371fd', 1, 'gmx::ImdOptions::pull'],\n         ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a718f59718640c6506b3721fbc8bf3a4d', 1, 'gmx::Pull']\n@@ -1386,20 +1386,20 @@\n     ['pullcheckpbcwithingroup_851', ['pullCheckPbcWithinGroup', ['../pull_8h.xhtml#ab09591734914d2d04d712aebfbf23972', 1, 'pull.h']]],\n     ['pullcheckpbcwithingroups_852', ['pullCheckPbcWithinGroups', ['../pull_8h.xhtml#a22765fba515ab711be631bbbe08310e7', 1, 'pull.h']]],\n     ['pullcoordexpressionparser_853', ['pullcoordexpressionparser', ['../classgmx_1_1PullCoordExpressionParser.xhtml', 1, 'gmx::PullCoordExpressionParser'],\n         ['../classgmx_1_1PullCoordExpressionParser.xhtml#a69a4582d47f4dbbfdee1fff7be371bb0', 1, 'gmx::PullCoordExpressionParser::PullCoordExpressionParser()']\n     ]],\n     ['pullcoordexpressionparser_2eh_854', ['pullcoordexpressionparser.h', ['../pullcoordexpressionparser_8h.xhtml', 1, '']]],\n     ['pullcoordindex_5f_855', ['pullCoordIndex_', ['../structgmx_1_1BiasCoupledToSystem.xhtml#a2af1237e8b1f71f4130b923bd2ed1c7d', 1, 'gmx::BiasCoupledToSystem']]],\n-    ['pulldimparams_856', ['pulldimparams', ['../structgmx_1_1DimParams_1_1PullDimParams.xhtml', 1, 'gmx::DimParams::PullDimParams'],\n+    ['pulldimparams_856', ['pulldimparams', ['../structgmx_1_1DimParams.xhtml#a2bca3ab6e4db03bd35113c1f95f5df80', 1, 'gmx::DimParams::pullDimParams(double conversionFactor, double forceConstant, double beta)'],\n         ['../structgmx_1_1DimParams.xhtml#ae85515d4f2dbadb5f05849791cf7aa2c', 1, 'gmx::DimParams::pullDimParams() const'],\n-        ['../structgmx_1_1DimParams.xhtml#a2bca3ab6e4db03bd35113c1f95f5df80', 1, 'gmx::DimParams::pullDimParams(double conversionFactor, double forceConstant, double beta)']\n+        ['../structgmx_1_1DimParams_1_1PullDimParams.xhtml', 1, 'gmx::DimParams::PullDimParams']\n     ]],\n-    ['pullelement_857', ['pullelement', ['../classgmx_1_1PullElement.xhtml#ad0a8fb319d8d31c9233ed736f4f5675e', 1, 'gmx::PullElement::PullElement()'],\n-        ['../classgmx_1_1PullElement.xhtml', 1, 'gmx::PullElement']\n+    ['pullelement_857', ['pullelement', ['../classgmx_1_1PullElement.xhtml', 1, 'gmx::PullElement'],\n+        ['../classgmx_1_1PullElement.xhtml#ad0a8fb319d8d31c9233ed736f4f5675e', 1, 'gmx::PullElement::PullElement()']\n     ]],\n     ['pullelement_2ecpp_858', ['pullelement.cpp', ['../pullelement_8cpp.xhtml', 1, '']]],\n     ['pullelement_2eh_859', ['pullelement.h', ['../pullelement_8h.xhtml', 1, '']]],\n     ['pullgroupgeometry_860', ['PullGroupGeometry', ['../md__enums_8h.xhtml#a3c39678b5ca68fa66b7f12615f9c2d22', 1, 'md_enums.h']]],\n     ['pullhistory_861', ['pullHistory', ['../structObservablesHistory.xhtml#a97a66d7379fb71dfb6799ee15528f2a4', 1, 'ObservablesHistory']]],\n     ['pullhistory_2eh_862', ['pullhistory.h', ['../pullhistory_8h.xhtml', 1, '']]],\n     ['pullingalgorithm_863', ['PullingAlgorithm', ['../md__enums_8h.xhtml#a07879277b22cbe7bbee52b15e64f79c8', 1, 'md_enums.h']]],\n@@ -1414,20 +1414,20 @@\n     ]],\n     ['pushback_868', ['pushBack', ['../classgmx_1_1ListOfLists.xhtml#ae18ce1449394739fcece544b581cb276', 1, 'gmx::ListOfLists']]],\n     ['pushbacklistofsize_869', ['pushBackListOfSize', ['../classgmx_1_1ListOfLists.xhtml#a5cc2f517914ce460fbbc72fe7abd4c72', 1, 'gmx::ListOfLists']]],\n     ['put_5fatoms_5fin_5fbox_870', ['put_atoms_in_box', ['../pbc_8cpp.xhtml#a610564f01ba42ba37b644eec1bb8d3df', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5fbox_5fomp_871', ['put_atoms_in_box_omp', ['../pbc_8cpp.xhtml#a40a33ad9c319d581155eba31d9d26b17', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5fcompact_5funitcell_872', ['put_atoms_in_compact_unitcell', ['../pbc_8cpp.xhtml#a428ad6fc47d5d0b15c96ca4c1b6cb903', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5ftriclinic_5funitcell_873', ['put_atoms_in_triclinic_unitcell', ['../pbc_8cpp.xhtml#a55aaad77afec7b9eaebb70b687754d03', 1, 'pbc.cpp']]],\n-    ['put_5fsymtab_874', ['put_symtab', ['../symtab_8cpp.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp'],\n-        ['../symtab_8h.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp']\n+    ['put_5fsymtab_874', ['put_symtab', ['../symtab_8h.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp'],\n+        ['../symtab_8cpp.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp']\n     ]],\n     ['putatomoffsetinreceiverrankxbuf_5f_875', ['putAtomOffsetInReceiverRankXBuf_', ['../structgmx_1_1nvshmemHaloExchangeOps.xhtml#ab55f1a71499c31b9b38d26d1554d3af8', 1, 'gmx::nvshmemHaloExchangeOps']]],\n     ['putatomsinbox_876', ['putAtomsInBox', ['../namespacegmx_1_1test.xhtml#a16e9acd28f4b4c994840404345c7e850', 1, 'gmx::test']]],\n     ['putatomsongrid_877', ['putAtomsOnGrid', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a39bd7ce6853702e6175a08b428ce7b09', 1, 'gmx::nonbonded_verlet_t']]],\n-    ['putongrid_878', ['putongrid', ['../classgmx_1_1GridSet.xhtml#a28aad20395e7581ee75db055f35bd52c', 1, 'gmx::GridSet::putOnGrid()'],\n-        ['../classgmx_1_1PairSearch.xhtml#a38babb5c6e50d88736b273098a3d0eb2', 1, 'gmx::PairSearch::putOnGrid()']\n+    ['putongrid_878', ['putongrid', ['../classgmx_1_1PairSearch.xhtml#a38babb5c6e50d88736b273098a3d0eb2', 1, 'gmx::PairSearch::putOnGrid()'],\n+        ['../classgmx_1_1GridSet.xhtml#a28aad20395e7581ee75db055f35bd52c', 1, 'gmx::GridSet::putOnGrid()']\n     ]],\n     ['putupdategroupatomsinsameperiodicimage_879', ['putUpdateGroupAtomsInSamePeriodicImage', ['../domdec_8h.xhtml#aec7dc3c12bedaa5db84bfcd1f4d5a3ae', 1, 'domdec.cpp']]],\n     ['pvc_5fxl_5fa0_880', ['PVC_XL_A0', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a038a1f9bb8abed236b40371bb4927cdb', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n     ['pvc_5fxl_5fa0p_881', ['PVC_XL_A0P', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a2b709d62dd12a97fd15b381c2baf3a71', 1, 'device_management_sycl_intel_device_ids.cpp']]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -27,16 +27,16 @@\n         ['../qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmforceprovider_2eh_17', ['qmmmforceprovider.h', ['../qmmmforceprovider_8h.xhtml', 1, '']]],\n     ['qmmmforceprovider_5fstub_2ecpp_18', ['qmmmforceprovider_stub.cpp', ['../qmmmforceprovider__stub_8cpp.xhtml', 1, '']]],\n     ['qmmminputgenerator_19', ['qmmminputgenerator', ['../classgmx_1_1QMMMInputGenerator.xhtml#aa0847e6ee608ea7444b36c9db6e0bdd6', 1, 'gmx::QMMMInputGenerator::QMMMInputGenerator()'],\n         ['../classgmx_1_1QMMMInputGenerator.xhtml', 1, 'gmx::QMMMInputGenerator']\n     ]],\n-    ['qmmminputgenerator_2ecpp_20', ['qmmminputgenerator.cpp', ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['qmmminputgenerator_2ecpp_20', ['qmmminputgenerator.cpp', ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmminputgenerator_2eh_21', ['qmmminputgenerator.h', ['../qmmminputgenerator_8h.xhtml', 1, '']]],\n     ['qmmmmdptransformfromstring_22', ['QMMMMdpTransformFromString', ['../namespacegmx_1_1anonymous__namespace_02qmmmoptions_8cpp_03.xhtml#a704afcf71de3ae29cf3c3a260c8e8e0c', 1, 'gmx::anonymous_namespace{qmmmoptions.cpp}']]],\n     ['qmmmmoduleinfo_23', ['QMMMModuleInfo', ['../structgmx_1_1QMMMModuleInfo.xhtml', 1, 'gmx']]],\n     ['qmmmoptions_24', ['QMMMOptions', ['../classgmx_1_1QMMMOptions.xhtml', 1, 'gmx']]],\n     ['qmmmoptions_2ecpp_25', ['qmmmoptions.cpp', ['../tests_2qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)']\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -107,58 +107,58 @@\n     ['read_5fpull_5fxf_63', ['read_pull_xf', ['../gmx__wham_8cpp.xhtml#a3b6881c8a81744c8faa70b8a461a5cd1', 1, 'gmx_wham.cpp']]],\n     ['read_5ftpr_5fheader_64', ['read_tpr_header', ['../gmx__wham_8cpp.xhtml#a7722683aae4a7fbeca3de229f7efedab', 1, 'gmx_wham.cpp']]],\n     ['read_5ftpr_5fpullxf_5ffiles_65', ['read_tpr_pullxf_files', ['../gmx__wham_8cpp.xhtml#a9adfb4b234ea6645e67a85f6b1503fc5', 1, 'gmx_wham.cpp']]],\n     ['read_5fwham_5fin_66', ['read_wham_in', ['../gmx__wham_8cpp.xhtml#a2b227e67bccc413b5352a9011f9dd2ce', 1, 'gmx_wham.cpp']]],\n     ['readall_67', ['readAll', ['../classgmx_1_1TextReader.xhtml#a0fe2f628d9f57041bd5c14a712e5c0b1', 1, 'gmx::TextReader']]],\n     ['readatomicstructurefactors_68', ['readAtomicStructureFactors', ['../namespacegmx.xhtml#a2a8d393afe70146222257f8bb955b627', 1, 'gmx']]],\n     ['readcharbufferfromfile_69', ['readCharBufferFromFile', ['../namespacegmx_1_1anonymous__namespace_02mrcdensitymap_8cpp_03.xhtml#a251ae26a44272d5cd9fcf0f78898d0aa', 1, 'gmx::anonymous_namespace{mrcdensitymap.cpp}']]],\n-    ['readcheckpoint_70', ['readcheckpoint', ['../classgmx_1_1ITemperatureCouplingImpl.xhtml#a94f280e3751b37b4b109a5ff63054b74', 1, 'gmx::ITemperatureCouplingImpl::readCheckpoint()'],\n+    ['readcheckpoint_70', ['readcheckpoint', ['../classgmx_1_1BerendsenTemperatureCoupling.xhtml#aa01f54a2056e9aa0a6fa87d52c4d027f', 1, 'gmx::BerendsenTemperatureCoupling::readCheckpoint()'],\n         ['../classgmx_1_1VRescaleTemperatureCoupling.xhtml#a90f8b87a5b2b0416bab500aebe63a996', 1, 'gmx::VRescaleTemperatureCoupling::readCheckpoint()'],\n-        ['../classgmx_1_1BerendsenTemperatureCoupling.xhtml#aa01f54a2056e9aa0a6fa87d52c4d027f', 1, 'gmx::BerendsenTemperatureCoupling::readCheckpoint()'],\n+        ['../classgmx_1_1ITemperatureCouplingImpl.xhtml#a94f280e3751b37b4b109a5ff63054b74', 1, 'gmx::ITemperatureCouplingImpl::readCheckpoint()'],\n         ['../classgmx_1_1NoseHooverTemperatureCoupling.xhtml#ad15e911e803e015e6473f7c1eb7f281c', 1, 'gmx::NoseHooverTemperatureCoupling::readCheckpoint()']\n     ]],\n     ['readcheckpointdata_71', ['ReadCheckpointData', ['../namespacegmx.xhtml#abd9cf155c3e31c8c699051ad1dea3d3b', 1, 'gmx']]],\n     ['readcheckpointdataholder_72', ['ReadCheckpointDataHolder', ['../classgmx_1_1ReadCheckpointDataHolder.xhtml', 1, 'gmx']]],\n-    ['readcheckpointtotrxframe_73', ['readcheckpointtotrxframe', ['../classgmx_1_1FreeEnergyPerturbationData.xhtml#a7dd83b0ad9158a757e111837bc404731', 1, 'gmx::FreeEnergyPerturbationData::readCheckpointToTrxFrame()'],\n-        ['../classgmx_1_1ModularSimulator.xhtml#a14f99d57fa6ff26d83990460b8e0e097', 1, 'gmx::ModularSimulator::readCheckpointToTrxFrame()'],\n-        ['../classgmx_1_1StatePropagatorData.xhtml#a333328298283d95aa84be76408da4a7f', 1, 'gmx::StatePropagatorData::readCheckpointToTrxFrame()']\n+    ['readcheckpointtotrxframe_73', ['readcheckpointtotrxframe', ['../classgmx_1_1ModularSimulator.xhtml#a14f99d57fa6ff26d83990460b8e0e097', 1, 'gmx::ModularSimulator::readCheckpointToTrxFrame()'],\n+        ['../classgmx_1_1StatePropagatorData.xhtml#a333328298283d95aa84be76408da4a7f', 1, 'gmx::StatePropagatorData::readCheckpointToTrxFrame()'],\n+        ['../classgmx_1_1FreeEnergyPerturbationData.xhtml#a7dd83b0ad9158a757e111837bc404731', 1, 'gmx::FreeEnergyPerturbationData::readCheckpointToTrxFrame()']\n     ]],\n     ['readchildentries_74', ['readChildEntries', ['../namespacegmx_1_1test_1_1anonymous__namespace_02refdata__xml_8cpp_03.xhtml#a69a563fe5bf6aca78b09435324e5fa06', 1, 'gmx::test::anonymous_namespace{refdata_xml.cpp}']]],\n     ['readcommand_75', ['readCommand', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a05320ddc33e42dbdd61c7b87eeca7f4b', 1, 'gmx::ImdSession::Impl']]],\n     ['readdouble_76', ['readDouble', ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#a18e0f91a26a44eba0461f0b29db52b3a', 1, 'gmx::test::TestReferenceChecker']]],\n     ['readedvecwithreferenceprojection_77', ['readEdVecWithReferenceProjection', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#ac6f9e82412778fba12ba7c87e6be5636', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['readentry_78', ['readEntry', ['../namespacegmx_1_1test_1_1anonymous__namespace_02refdata__xml_8cpp_03.xhtml#aff99e1e654b284a758c0a54737bb2171', 1, 'gmx::test::anonymous_namespace{refdata_xml.cpp}']]],\n-    ['readfiletostring_79', ['readfiletostring', ['../classgmx_1_1TextReader.xhtml#a335a497245704967c1431f364ea0ca00', 1, 'gmx::TextReader::readFileToString(const std::string &amp;filename)'],\n-        ['../classgmx_1_1TextReader.xhtml#ab60a4095bedb4918dda1e2071bf36454', 1, 'gmx::TextReader::readFileToString(const std::filesystem::path &amp;filename)']\n+    ['readfiletostring_79', ['readfiletostring', ['../classgmx_1_1TextReader.xhtml#ab60a4095bedb4918dda1e2071bf36454', 1, 'gmx::TextReader::readFileToString(const std::filesystem::path &amp;filename)'],\n+        ['../classgmx_1_1TextReader.xhtml#a335a497245704967c1431f364ea0ca00', 1, 'gmx::TextReader::readFileToString(const std::string &amp;filename)']\n     ]],\n     ['readfloat_80', ['readFloat', ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#a0d317c9ca0387d6e6a7bbab7eab5533f', 1, 'gmx::test::TestReferenceChecker']]],\n     ['readgridsize_81', ['readGridSize', ['../pme__gather__sycl_8cpp.xhtml#afe2d46ad54be09003ac706146d2c82c1', 1, 'pme_gather_sycl.cpp']]],\n     ['readindexfromserializer_82', ['readIndexFromSerializer', ['../namespacegmx_1_1test.xhtml#aea28757b483109810d993d9d1684ad10', 1, 'gmx::test']]],\n-    ['reading_83', ['reading', ['../classgmx_1_1FileIOXdrSerializer.xhtml#a7eca6d67ea8bea5006e111762492ca16', 1, 'gmx::FileIOXdrSerializer::reading()'],\n-        ['../classgmx_1_1ISerializer.xhtml#aa5f04de61828ef7af2c1585e3e91a277', 1, 'gmx::ISerializer::reading()']\n+    ['reading_83', ['reading', ['../classgmx_1_1ISerializer.xhtml#aa5f04de61828ef7af2c1585e3e91a277', 1, 'gmx::ISerializer::reading()'],\n+        ['../classgmx_1_1FileIOXdrSerializer.xhtml#a7eca6d67ea8bea5006e111762492ca16', 1, 'gmx::FileIOXdrSerializer::reading()']\n     ]],\n     ['readinp_2ecpp_84', ['readinp.cpp', ['../tests_2readinp_8cpp.xhtml', 1, '']]],\n     ['readint32_85', ['readInt32', ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#afee39969b1f4ed1ce509bbd6bd8e9bd9', 1, 'gmx::test::TestReferenceChecker']]],\n     ['readint64_86', ['readInt64', ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#a596176a0591133ef4331185c29cdf9c9', 1, 'gmx::test::TestReferenceChecker']]],\n     ['readinteger_87', ['readInteger', ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#a0202a4ac0d2c52d64122f2f9165341fe', 1, 'gmx::test::TestReferenceChecker']]],\n     ['readintegratedautocorrelationtimes_88', ['readIntegratedAutocorrelationTimes', ['../gmx__wham_8cpp.xhtml#a8ddf5450efbad4686970059912aa32d7', 1, 'gmx_wham.cpp']]],\n-    ['readinternalparametersfromkvt_89', ['readinternalparametersfromkvt', ['../classgmx_1_1ColvarsOptions.xhtml#a70d2e05f69165b9126d74813f98f23fd', 1, 'gmx::ColvarsOptions::readInternalParametersFromKvt()'],\n-        ['../classgmx_1_1DensityFittingOptions.xhtml#aa1077af7e6cbeba8e1c052f653c45bac', 1, 'gmx::DensityFittingOptions::readInternalParametersFromKvt()'],\n+    ['readinternalparametersfromkvt_89', ['readinternalparametersfromkvt', ['../classgmx_1_1DensityFittingOptions.xhtml#aa1077af7e6cbeba8e1c052f653c45bac', 1, 'gmx::DensityFittingOptions::readInternalParametersFromKvt()'],\n+        ['../classgmx_1_1ColvarsOptions.xhtml#a70d2e05f69165b9126d74813f98f23fd', 1, 'gmx::ColvarsOptions::readInternalParametersFromKvt()'],\n         ['../classgmx_1_1QMMMOptions.xhtml#a7001a33f3f283c4912a3ab3cfdd5b0f9', 1, 'gmx::QMMMOptions::readInternalParametersFromKvt()']\n     ]],\n     ['readir_2ecpp_90', ['readir.cpp', ['../tests_2readir_8cpp.xhtml', 1, '']]],\n     ['readkvtcheckpointvalue_91', ['readkvtcheckpointvalue', ['../namespacegmx.xhtml#a05084482777d678a18da8a32b7410fba', 1, 'gmx::readKvtCheckpointValue(compat::not_null&lt; real * &gt; value, const std::string &amp;name, const std::string &amp;identifier, const KeyValueTreeObject &amp;kvt)'],\n         ['../namespacegmx.xhtml#acf49b322c7346edb9b5d2e5cbbff100c', 1, 'gmx::readKvtCheckpointValue(compat::not_null&lt; std::int64_t * &gt; value, const std::string &amp;name, const std::string &amp;identifier, const KeyValueTreeObject &amp;kvt)'],\n         ['../namespacegmx.xhtml#a868475d2fdb19a816c1170bd8a7e923f', 1, 'gmx::readKvtCheckpointValue(compat::not_null&lt; ValueType * &gt; value, const std::string &amp;name, const std::string &amp;identifier, const KeyValueTreeObject &amp;kvt)']\n     ]],\n-    ['readline_92', ['readline', ['../classgmx_1_1StandardInputStream.xhtml#a1c31a636987618552b18e9ec72c77400', 1, 'gmx::StandardInputStream::readLine()'],\n-        ['../classgmx_1_1TextInputFile.xhtml#a22384d24f47f270203e74d1b8f765234', 1, 'gmx::TextInputFile::readLine()'],\n+    ['readline_92', ['readline', ['../classgmx_1_1TextInputStream.xhtml#addd5947a5b6f6065db02467d8f3c5137', 1, 'gmx::TextInputStream::readLine()'],\n         ['../classgmx_1_1StringInputStream.xhtml#a5312438a2d0d1ff527c027a4d7b5181d', 1, 'gmx::StringInputStream::readLine()'],\n-        ['../classgmx_1_1TextReader.xhtml#a8a4578260ea39592894870109d92e723', 1, 'gmx::TextReader::readLine()'],\n-        ['../classgmx_1_1TextInputStream.xhtml#addd5947a5b6f6065db02467d8f3c5137', 1, 'gmx::TextInputStream::readLine()']\n+        ['../classgmx_1_1StandardInputStream.xhtml#a1c31a636987618552b18e9ec72c77400', 1, 'gmx::StandardInputStream::readLine()'],\n+        ['../classgmx_1_1TextInputFile.xhtml#a22384d24f47f270203e74d1b8f765234', 1, 'gmx::TextInputFile::readLine()'],\n+        ['../classgmx_1_1TextReader.xhtml#a8a4578260ea39592894870109d92e723', 1, 'gmx::TextReader::readLine()']\n     ]],\n     ['readlineimpl_93', ['readLineImpl', ['../namespacegmx_1_1anonymous__namespace_02filestream_8cpp_03.xhtml#a790ebb9ff1c047f07a40d8e253abc7e5', 1, 'gmx::anonymous_namespace{filestream.cpp}']]],\n     ['readnextframe_94', ['readnextframe', ['../classgmx_1_1test_1_1TrajectoryFrameReader.xhtml#a63117177e0d578d9a15c12db7bb9f680', 1, 'gmx::test::TrajectoryFrameReader::readNextFrame()'],\n         ['../classgmx_1_1test_1_1EnergyFrameReader.xhtml#a518629ed972ceaf34296efab0fa3876e', 1, 'gmx::test::EnergyFrameReader::readNextFrame()'],\n         ['../classgmx_1_1TrajectoryAnalysisRunnerCommon.xhtml#a42ea08dac69a6d50fa38b84ec3ce513e', 1, 'gmx::TrajectoryAnalysisRunnerCommon::readNextFrame()']\n     ]],\n     ['readpullcoordselection_95', ['readPullCoordSelection', ['../gmx__wham_8cpp.xhtml#aa2af34b5c91653320b8332bbf308d772', 1, 'gmx_wham.cpp']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -40,30 +40,30 @@\n     ['s_5ftesthardwareenvironmentmutex_25', ['s_testHardwareEnvironmentMutex', ['../namespacegmx_1_1test.xhtml#a6b834beb276d0c5f6be01a97d3f57598', 1, 'gmx::test']]],\n     ['s_5ftprfilenames_26', ['s_tprfilenames', ['../classgmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03_1_1PmeTest.xhtml#a49a63e00b065a5780167186c88d34ddb', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest::s_tprFileNames'],\n         ['../classanonymous__namespace_02domain__decomposition_8cpp_03_1_1DomDecSpecialCasesTest.xhtml#a66bb8c54fb6abac1df84fe0c8e335ecc', 1, 'anonymous_namespace{domain_decomposition.cpp}::DomDecSpecialCasesTest::s_tprFileNames']\n     ]],\n     ['safe_5fexp_27', ['safe_exp', ['../expfit_8cpp.xhtml#a4f061218008fe0f7c1b7fb7bd7c5e44b', 1, 'expfit.cpp']]],\n     ['safe_5fexpm1_28', ['safe_expm1', ['../expfit_8cpp.xhtml#a77cdc89d8216490859461a4384c5c37a', 1, 'expfit.cpp']]],\n     ['samplecoordandpmf_29', ['sampleCoordAndPmf', ['../classgmx_1_1BiasState.xhtml#a9efc03687d723f2b86e13f5dab31e37a', 1, 'gmx::BiasState']]],\n-    ['samplecount_30', ['samplecount', ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a50b0d6df3ec49b2a75819e4ca3af95d5', 1, 'gmx::AnalysisDataFrameAverager::sampleCount()'],\n-        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#ae7af25d4cf476d258201aacff89036e9', 1, 'gmx::AnalysisDataAverageModule::sampleCount()']\n+    ['samplecount_30', ['samplecount', ['../classgmx_1_1AnalysisDataAverageModule.xhtml#ae7af25d4cf476d258201aacff89036e9', 1, 'gmx::AnalysisDataAverageModule::sampleCount()'],\n+        ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a50b0d6df3ec49b2a75819e4ca3af95d5', 1, 'gmx::AnalysisDataFrameAverager::sampleCount()']\n     ]],\n     ['samplegridsizes_31', ['sampleGridSizes', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmebsplinetest_8cpp_03.xhtml#ae39438efe09a7f543d05b1bf8c960810', 1, 'gmx::test::anonymous_namespace{pmebsplinetest.cpp}']]],\n     ['samplepmf_32', ['samplePmf', ['../classgmx_1_1PointState.xhtml#ac8d8b78b589249e076f4de69de2c5b80', 1, 'gmx::PointState']]],\n     ['sampleprobabilityweights_33', ['sampleProbabilityWeights', ['../classgmx_1_1BiasState.xhtml#a791a4e299b421a59352ecd8e742d2930', 1, 'gmx::BiasState']]],\n     ['samples_34', ['Samples', ['../md__enums_8h.xhtml#a7f23540ff5222f8735be151f3cbd1b2fadb8d503322c46d746776ccb54dbb91eb', 1, 'md_enums.h']]],\n     ['sampletimestep_5f_35', ['sampleTimeStep_', ['../classgmx_1_1test_1_1FrictionMetricTest.xhtml#a7a3203a2a9c9bcb96402d45c01b335c9', 1, 'gmx::test::FrictionMetricTest']]],\n     ['sampleumbrellagridpoint_36', ['sampleUmbrellaGridpoint', ['../classgmx_1_1CoordState.xhtml#a1aa3af22572f99449b840feb0a9c3163', 1, 'gmx::CoordState']]],\n     ['sampling_20with_20awh_37', ['Accelerating sampling with AWH', ['../page_awh.xhtml#autotoc_md0', 1, '']]],\n     ['sandrrst_38', ['sandrRst', ['../group__module__onlinehelp.xhtml#ga01e252442e510575079117f8937e8ee4', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}']]],\n     ['sandrtty_39', ['sandrTty', ['../group__module__onlinehelp.xhtml#gae3530d298597983b6376c48e09c63816', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}']]],\n     ['sanegridsize_40', ['saneGridSize', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmebsplinetest_8cpp_03.xhtml#ac12a9dbfe8934c0c457c4af83bde4b03', 1, 'gmx::test::anonymous_namespace{pmebsplinetest.cpp}']]],\n     ['sanepmeorder_41', ['sanePmeOrder', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmebsplinetest_8cpp_03.xhtml#a047f81edad8ec7a240a3152c46618198', 1, 'gmx::test::anonymous_namespace{pmebsplinetest.cpp}']]],\n-    ['sansdebye_42', ['sansdebye', ['../classgmx_1_1SansDebye.xhtml#a0bb2e9276239b93f79d72cdf773e8fa0', 1, 'gmx::SansDebye::SansDebye()'],\n-        ['../classgmx_1_1SansDebye.xhtml', 1, 'gmx::SansDebye']\n+    ['sansdebye_42', ['sansdebye', ['../classgmx_1_1SansDebye.xhtml', 1, 'gmx::SansDebye'],\n+        ['../classgmx_1_1SansDebye.xhtml#a0bb2e9276239b93f79d72cdf773e8fa0', 1, 'gmx::SansDebye::SansDebye()']\n     ]],\n     ['sasa_43', ['Sasa', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02sasa_8cpp_03_1_1Sasa.xhtml', 1, 'gmx::analysismodules::anonymous_namespace{sasa.cpp}']]],\n     ['sasa_2ecpp_44', ['sasa.cpp', ['../tests_2sasa_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../modules_2sasa_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['sasa_2eh_45', ['sasa.h', ['../sasa_8h.xhtml', 1, '']]],\n     ['sasamoduledata_46', ['sasamoduledata', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02sasa_8cpp_03_1_1SasaModuleData.xhtml#a2edf401c89ecb50a5154e2b5e1c8a1f9', 1, 'gmx::analysismodules::anonymous_namespace{sasa.cpp}::SasaModuleData::SasaModuleData()'],\n@@ -73,29 +73,29 @@\n     ['save_5fcalloc_48', ['save_calloc', ['../smalloc_8h.xhtml#af6d73f5ac19d401287ec06c2bbe8b73b', 1, 'smalloc.cpp']]],\n     ['save_5fcalloc_5faligned_49', ['save_calloc_aligned', ['../smalloc_8h.xhtml#a8d03915277e0b152e4d383811d8872e1', 1, 'smalloc.cpp']]],\n     ['save_5ffree_50', ['save_free', ['../smalloc_8h.xhtml#a1a8ebd96b293ca1f67b3dd41ff1eb43a', 1, 'smalloc.h']]],\n     ['save_5ffree_5faligned_51', ['save_free_aligned', ['../smalloc_8h.xhtml#ae35d52a2d595ae960055674b4a0d566a', 1, 'smalloc.h']]],\n     ['save_5fmalloc_52', ['save_malloc', ['../smalloc_8h.xhtml#a4aa36d45cbe79ee551ea9d2e032be5c7', 1, 'smalloc.cpp']]],\n     ['save_5fmalloc_5faligned_53', ['save_malloc_aligned', ['../smalloc_8h.xhtml#ac9f21a1f7ef12e856e74372d8cb9d233', 1, 'smalloc.cpp']]],\n     ['save_5frealloc_54', ['save_realloc', ['../smalloc_8h.xhtml#af31ca8a44667bdd81e548e75a7b0a31d', 1, 'smalloc.cpp']]],\n-    ['savecheckpointstate_55', ['savecheckpointstate', ['../classgmx_1_1VelocityScalingTemperatureCoupling.xhtml#a0613305c51cd85f761021905a7cc6000', 1, 'gmx::VelocityScalingTemperatureCoupling::saveCheckpointState()'],\n-        ['../classgmx_1_1StatePropagatorData_1_1Element.xhtml#aed73d86e0139c581fb13f5a64c3ac591', 1, 'gmx::StatePropagatorData::Element::saveCheckpointState()'],\n+    ['savecheckpointstate_55', ['savecheckpointstate', ['../classgmx_1_1ParrinelloRahmanBarostat.xhtml#a6c4ff548b028800659e1e5b01b050cf3', 1, 'gmx::ParrinelloRahmanBarostat::saveCheckpointState()'],\n         ['../classgmx_1_1EnergyData_1_1Element.xhtml#a955025d3dc2badd068819b0366263f21', 1, 'gmx::EnergyData::Element::saveCheckpointState()'],\n-        ['../classgmx_1_1PullElement.xhtml#acb46bbfd7f683624c4e04585d7151fae', 1, 'gmx::PullElement::saveCheckpointState()'],\n-        ['../classgmx_1_1NoseHooverChainsData.xhtml#af201f4dac2c01518d6a465a1e395d693', 1, 'gmx::NoseHooverChainsData::saveCheckpointState()'],\n         ['../classgmx_1_1ExpandedEnsembleElement.xhtml#aa81f8ca220fe300d1c4ea3aa561c7d4d', 1, 'gmx::ExpandedEnsembleElement::saveCheckpointState()'],\n         ['../classgmx_1_1FirstOrderPressureCoupling.xhtml#a7215fd9b674948475b7a7394a34cf3e9', 1, 'gmx::FirstOrderPressureCoupling::saveCheckpointState()'],\n+        ['../classgmx_1_1VelocityScalingTemperatureCoupling.xhtml#a0613305c51cd85f761021905a7cc6000', 1, 'gmx::VelocityScalingTemperatureCoupling::saveCheckpointState()'],\n+        ['../classgmx_1_1StatePropagatorData_1_1Element.xhtml#aed73d86e0139c581fb13f5a64c3ac591', 1, 'gmx::StatePropagatorData::Element::saveCheckpointState()'],\n         ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#aa845e4a2a85e58b53f868a3bfe74311a', 1, 'gmx::FreeEnergyPerturbationData::Element::saveCheckpointState()'],\n         ['../group__module__modularsimulator.xhtml#gaa70e5868cd4b8559099c8b687810f8df', 1, 'gmx::ICheckpointHelperClient::saveCheckpointState()'],\n-        ['../classgmx_1_1ParrinelloRahmanBarostat.xhtml#a6c4ff548b028800659e1e5b01b050cf3', 1, 'gmx::ParrinelloRahmanBarostat::saveCheckpointState()'],\n-        ['../classgmx_1_1MttkData.xhtml#acf983f5ad30b4b8792883b4a69799566', 1, 'gmx::MttkData::saveCheckpointState()']\n+        ['../classgmx_1_1MttkData.xhtml#acf983f5ad30b4b8792883b4a69799566', 1, 'gmx::MttkData::saveCheckpointState()'],\n+        ['../classgmx_1_1NoseHooverChainsData.xhtml#af201f4dac2c01518d6a465a1e395d693', 1, 'gmx::NoseHooverChainsData::saveCheckpointState()'],\n+        ['../classgmx_1_1PullElement.xhtml#acb46bbfd7f683624c4e04585d7151fae', 1, 'gmx::PullElement::saveCheckpointState()']\n     ]],\n     ['saveedsampointer_56', ['saveEdsamPointer', ['../classgmx_1_1Constraints.xhtml#aa20d0b058932c4e3ff6725444de6499f', 1, 'gmx::Constraints']]],\n-    ['saxsdebye_57', ['saxsdebye', ['../classgmx_1_1SaxsDebye.xhtml#a678e01fbb38f9e7d22bb5bd2efa414b6', 1, 'gmx::SaxsDebye::SaxsDebye()'],\n-        ['../classgmx_1_1SaxsDebye.xhtml', 1, 'gmx::SaxsDebye']\n+    ['saxsdebye_57', ['saxsdebye', ['../classgmx_1_1SaxsDebye.xhtml', 1, 'gmx::SaxsDebye'],\n+        ['../classgmx_1_1SaxsDebye.xhtml#a678e01fbb38f9e7d22bb5bd2efa414b6', 1, 'gmx::SaxsDebye::SaxsDebye()']\n     ]],\n     ['sbase_58', ['sbase', ['../structgmx__ana__poscalc__t.xhtml#a72b00bc053d3b7b79e594b1b6e5fa733', 1, 'gmx_ana_poscalc_t']]],\n     ['sblock_59', ['sblock', ['../structgmx_1_1shakedata.xhtml#a119cbdb92204daa557f75d7a14bbeb8c', 1, 'gmx::shakedata']]],\n     ['sc_60', ['sc', ['../structgmx__sel__lexer__t.xhtml#a82dc052b54870d8ea2770036c241af08', 1, 'gmx_sel_lexer_t']]],\n     ['sc_5f_61', ['sc_', ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#a7ce70ac756fedffc234e93074714b732', 1, 'gmx::SelectionCollection::Impl']]],\n     ['sc_5falwaysfalse_62', ['sc_alwaysFalse', ['../naming_8h.xhtml#afbb8029e01b2ffea1e35dd15e991cd7b', 1, 'gmx::test::detail']]],\n     ['sc_5fatominfo_5fenergygroupidmask_63', ['sc_atomInfo_EnergyGroupIdMask', ['../namespacegmx.xhtml#aec7dc2c9588cef82954ea1a7a5bbcdcf', 1, 'gmx']]],\n@@ -130,61 +130,61 @@\n     ['sc_5fisgpupairlisttype_90', ['sc_isGpuPairListType', ['../namespacegmx.xhtml#a537d842a3c66578a076f668694f11319', 1, 'gmx']]],\n     ['sc_5fjclustersize_91', ['sc_jClusterSize', ['../namespacegmx.xhtml#a858c5384b6739a1bd6989e44f942b5fc', 1, 'gmx']]],\n     ['sc_5flayouttype_92', ['sc_layoutType', ['../namespacegmx.xhtml#af1c005d1c11ecc155592ef473cc832ee', 1, 'gmx']]],\n     ['sc_5fmaxdonorsperresidue_93', ['sc_maxDonorsPerResidue', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03_1_1ResInfo.xhtml#a295e4dc2a8943f881df3febe63b6572f', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}::ResInfo']]],\n     ['sc_5fmaxnumizones_94', ['sc_maxNumIZones', ['../namespacegmx.xhtml#ad29c98a8ee43ed2ed812f11630f96a62', 1, 'gmx']]],\n     ['sc_5fmaxnumzones_95', ['sc_maxNumZones', ['../namespacegmx.xhtml#a5e13c275f97165673749dc10651d0403', 1, 'gmx']]],\n     ['sc_5fncolvarsatomsname_5f_96', ['sc_nColvarsAtomsName_', ['../structgmx_1_1ColvarsForceProviderState.xhtml#ac0a5afaf0b4b6ab472ce670fb17acd1e', 1, 'gmx::ColvarsForceProviderState']]],\n-    ['sc_5fnumenergygroups_97', ['sc_numenergygroups', ['../structgmx_1_1test_1_1TestSystem.xhtml#a6a0f14e33f368f96c0f3c4128e3c3f2c', 1, 'gmx::test::TestSystem::sc_numEnergyGroups'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03.xhtml#ad47ab0f836918e5019cfc367f1efbda3', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::sc_numEnergyGroups']\n+    ['sc_5fnumenergygroups_97', ['sc_numenergygroups', ['../namespacegmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03.xhtml#ad47ab0f836918e5019cfc367f1efbda3', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::sc_numEnergyGroups'],\n+        ['../structgmx_1_1test_1_1TestSystem.xhtml#a6a0f14e33f368f96c0f3c4128e3c3f2c', 1, 'gmx::test::TestSystem::sc_numEnergyGroups']\n     ]],\n     ['sc_5fnumfepstates_98', ['sc_numFepStates', ['../pme__gpu__staging_8h.xhtml#a1b46330c0160a5539685afd05ae865c3', 1, 'pme_gpu_staging.h']]],\n     ['sc_5fnumgridsljlb_99', ['sc_numGridsLJLB', ['../pme__internal_8h.xhtml#afae6cc23490d753bc9f480193607a2bd', 1, 'pme_internal.h']]],\n     ['sc_5fpressurematrixtypenames_100', ['sc_pressureMatrixTypeNames', ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#ad8d195071fbeafd96f845f9bd83ddf5f', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n     ['sc_5frefdatafilenamemaker_101', ['sc_refDataFilenameMaker', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03.xhtml#a612cdac13c1c842588ae6f765b4c8158', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}']]],\n     ['sc_5fskewnessmargin_102', ['sc_skewnessMargin', ['../pbc_8cpp.xhtml#a01ddfce19291b0878ba36bd9285a1e9d', 1, 'pbc.cpp']]],\n     ['sc_5fsubgroupsize_103', ['sc_subGroupSize', ['../pme__gpu__grid__sycl_8cpp.xhtml#a3bb4a447d7735630217c8d9b6a5e1963', 1, 'pme_gpu_grid_sycl.cpp']]],\n-    ['sc_5ftestnamer_104', ['sc_testnamer', ['../namespacegmx_1_1test_1_1anonymous__namespace_02fft_8cpp_03.xhtml#ae605e2033e55af3de3a80361023cc5a3', 1, 'gmx::test::anonymous_namespace{fft.cpp}::sc_testNamer'],\n+    ['sc_5ftestnamer_104', ['sc_testnamer', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03.xhtml#a85a4f7592d748dfd59373117e51fc599', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}::sc_testNamer'],\n         ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#a144cb9000ebc841c25d100cb1b45b6f7', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}::sc_testNamer'],\n         ['../namespaceanonymous__namespace_02domain__decomposition_8cpp_03.xhtml#ad95f6319037d8f945235ebf0831ccba3', 1, 'anonymous_namespace{domain_decomposition.cpp}::sc_testNamer'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03.xhtml#a85a4f7592d748dfd59373117e51fc599', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}::sc_testNamer']\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02fft_8cpp_03.xhtml#ae605e2033e55af3de3a80361023cc5a3', 1, 'gmx::test::anonymous_namespace{fft.cpp}::sc_testNamer']\n     ]],\n     ['sc_5fworkgroupsize_105', ['sc_workGroupSize', ['../namespacegmx.xhtml#ac85e48554e6e1788ea930b7064d371a6', 1, 'gmx']]],\n     ['sc_5fxoldwholename_5f_106', ['sc_xOldWholeName_', ['../structgmx_1_1ColvarsForceProviderState.xhtml#a4ae85de69074dadd19c5fc012a3cccc8', 1, 'gmx::ColvarsForceProviderState']]],\n     ['sc_5fxstride_107', ['sc_xStride', ['../namespacegmx.xhtml#a56bd008a3e40cc25b83bc1196e150ea9', 1, 'gmx']]],\n     ['scalar_2eh_108', ['scalar.h', ['../scalar_8h.xhtml', 1, '']]],\n     ['scalar_5fmath_2eh_109', ['scalar_math.h', ['../scalar__math_8h.xhtml', 1, '']]],\n     ['scalar_5futil_2eh_110', ['scalar_util.h', ['../scalar__util_8h.xhtml', 1, '']]],\n     ['scalardatatypes_111', ['ScalarDataTypes', ['../structScalarDataTypes.xhtml', 1, '']]],\n     ['scalarforce_112', ['scalarForce', ['../structpull__coord__work__t.xhtml#adde522794352e2ebc796944dcda04204', 1, 'pull_coord_work_t']]],\n-    ['scale_113', ['scale', ['../structt__forcetable.xhtml#a74042b613c0660e9d1a66b49147d0159', 1, 't_forcetable::scale'],\n-        ['../structPmeGpuDynamicParams.xhtml#a5c019da79bddcfb0ac07f2a757a269bc', 1, 'PmeGpuDynamicParams::scale'],\n+    ['scale_113', ['scale', ['../structPmeGpuDynamicParams.xhtml#a5c019da79bddcfb0ac07f2a757a269bc', 1, 'PmeGpuDynamicParams::scale'],\n+        ['../structt__forcetable.xhtml#a74042b613c0660e9d1a66b49147d0159', 1, 't_forcetable::scale'],\n         ['../classgmx_1_1MttkData.xhtml#aa587cc1c76049dce893923692e23d769', 1, 'gmx::MttkData::scale()']\n     ]],\n     ['scaleall_114', ['scaleAll', ['../classgmx_1_1AbstractAverageHistogram.xhtml#a749915682fa7728ee088dfd6726b1736', 1, 'gmx::AbstractAverageHistogram']]],\n     ['scaleallbyvector_115', ['scaleAllByVector', ['../classgmx_1_1AbstractAverageHistogram.xhtml#aabe3becd12550d662e727afbd168f433', 1, 'gmx::AbstractAverageHistogram']]],\n     ['scalebox_116', ['scaleBox', ['../classEwaldBoxZScaler.xhtml#a67431757f83b309cf81b3cf96eabe7bf', 1, 'EwaldBoxZScaler']]],\n     ['scalebyvector_117', ['scaleByVector', ['../namespacegmx.xhtml#a0f5022a3da3a90ab52ba2cec11c936d5', 1, 'gmx']]],\n     ['scalecoordinates_118', ['scaleCoordinates', ['../classgmx_1_1UpdateConstrainGpu_1_1Impl.xhtml#a9376d1cbbecb20c18661950973814d0d', 1, 'gmx::UpdateConstrainGpu::Impl']]],\n     ['scaled_5flagrange_5fmultiplier_119', ['scaled_lagrange_multiplier', ['../structgmx_1_1shakedata.xhtml#adde8f58fcb5ada8d634039c00ca42a58', 1, 'gmx::shakedata']]],\n     ['scaledsampleweight_120', ['ScaledSampleWeight', ['../namespacegmx.xhtml#aa78c6481d10a93316c155ffdf021e581a7cffc85b2f1c2177a818913479ea4f18', 1, 'gmx']]],\n     ['scaleinternaltouserinput_121', ['scaleInternalToUserInput', ['../structgmx_1_1DimParams.xhtml#a8b7199033caa1dbea6f4fbc8457c3103', 1, 'gmx::DimParams']]],\n     ['scalekernel_122', ['scaleKernel', ['../namespacegmx.xhtml#a3478a6cdaf4905d5f1939a1cc0f7672c', 1, 'gmx']]],\n     ['scaleoperationonly_123', ['scaleOperationOnly', ['../classgmx_1_1TranslateAndScale.xhtml#acc95c4510196adaa2be2e247eaa400a6', 1, 'gmx::TranslateAndScale']]],\n-    ['scalepositions_124', ['scalepositions', ['../group__module__modularsimulator.xhtml#gga93e79323b6317b2185ad6613a20fa290a0ad0cca109a60ba3ddbe1df8f32d19ba', 1, 'gmx::ScalePositions'],\n-        ['../namespacegmx.xhtml#aa40466eed05791a3c070a9620d0118a5', 1, 'gmx::scalePositions(int a, real lambda, rvec *gmx_restrict x)']\n+    ['scalepositions_124', ['scalepositions', ['../namespacegmx.xhtml#aa40466eed05791a3c070a9620d0118a5', 1, 'gmx::scalePositions(int a, real lambda, rvec *gmx_restrict x)'],\n+        ['../group__module__modularsimulator.xhtml#gga93e79323b6317b2185ad6613a20fa290a0ad0cca109a60ba3ddbe1df8f32d19ba', 1, 'gmx::ScalePositions']\n     ]],\n     ['scalesingle_125', ['scaleSingle', ['../classgmx_1_1AbstractAverageHistogram.xhtml#abb37138b6fef236b38b46177ab3a7f16', 1, 'gmx::AbstractAverageHistogram']]],\n     ['scaletarget_126', ['scaleTarget', ['../classgmx_1_1PointState.xhtml#a93751c7f51be9d69545a30ce189bffc2', 1, 'gmx::PointState']]],\n     ['scaletargetbymetric_127', ['scaleTargetByMetric', ['../classgmx_1_1BiasParams.xhtml#ad9bd18c9c3bb06a0a31ae993dc420eba', 1, 'gmx::BiasParams']]],\n     ['scaleuserinputtointernal_128', ['scaleUserInputToInternal', ['../structgmx_1_1DimParams.xhtml#a004d2c59395c40d1600fcfecde06de49', 1, 'gmx::DimParams']]],\n-    ['scalevelocities_129', ['scalevelocities', ['../classgmx_1_1UpdateConstrainGpu_1_1Impl.xhtml#a92ef8227ecb881d5a8f7fd2b3882afe3', 1, 'gmx::UpdateConstrainGpu::Impl::scaleVelocities()'],\n-        ['../namespacegmx.xhtml#a4e4da4f100aca65e4733c6fe8e881a45', 1, 'gmx::scaleVelocities(int a, real lambda, rvec *gmx_restrict v)'],\n+    ['scalevelocities_129', ['scalevelocities', ['../group__module__modularsimulator.xhtml#gga93e79323b6317b2185ad6613a20fa290a2108282211446e168416bdfc55bbbda1', 1, 'gmx::ScaleVelocities'],\n         ['../group__module__modularsimulator.xhtml#ga5ff057aa36da97961cf549a2d15d0a1d', 1, 'gmx::ScaleVelocities'],\n-        ['../group__module__modularsimulator.xhtml#gga93e79323b6317b2185ad6613a20fa290a2108282211446e168416bdfc55bbbda1', 1, 'gmx::ScaleVelocities']\n+        ['../classgmx_1_1UpdateConstrainGpu_1_1Impl.xhtml#a92ef8227ecb881d5a8f7fd2b3882afe3', 1, 'gmx::UpdateConstrainGpu::Impl::scaleVelocities()'],\n+        ['../namespacegmx.xhtml#a4e4da4f100aca65e4733c6fe8e881a45', 1, 'gmx::scaleVelocities(int a, real lambda, rvec *gmx_restrict v)']\n     ]],\n     ['scalingmatrix_130', ['ScalingMatrix', ['../structgmx_1_1ScalingMatrix.xhtml', 1, 'gmx']]],\n     ['scan_5fedvec_131', ['scan_edvec', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#aa33eff7a8d809b89f9cf9041736b276e', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['scanner_2eh_132', ['scanner.h', ['../scanner_8h.xhtml', 1, '']]],\n     ['scanner_5finternal_2ecpp_133', ['scanner_internal.cpp', ['../scanner__internal_8cpp.xhtml', 1, '']]],\n     ['scanner_5finternal_2eh_134', ['scanner_internal.h', ['../scanner__internal_8h.xhtml', 1, '']]],\n     ['scantemporary_135', ['scanTemporary', ['../classgmx_1_1GpuPairlistSorting.xhtml#af57aed49734b372a758187b23a0a347c', 1, 'gmx::GpuPairlistSorting']]],\n@@ -202,34 +202,34 @@\n     ['scatteringfactors_2ecpp_145', ['scatteringfactors.cpp', ['../scatteringfactors_8cpp.xhtml', 1, '']]],\n     ['scatteringfactors_2eh_146', ['scatteringfactors.h', ['../scatteringfactors_8h.xhtml', 1, '']]],\n     ['scatteringmodule_147', ['ScatteringModule', ['../classgmx_1_1test_1_1anonymous__namespace_02scattering_8cpp_03_1_1ScatteringModule.xhtml', 1, 'gmx::test::anonymous_namespace{scattering.cpp}']]],\n     ['scattertype_148', ['ScatterType', ['../namespacegmx_1_1analysismodules_1_1anonymous__namespace_02scattering_8cpp_03.xhtml#af68bed217f507f95a84693dad6919bcb', 1, 'gmx::analysismodules::anonymous_namespace{scattering.cpp}']]],\n     ['scattertypenames_149', ['ScatterTypeNames', ['../namespacegmx_1_1analysismodules_1_1anonymous__namespace_02scattering_8cpp_03.xhtml#a060d9ca319f3fcc1995bb836c0dc58ab', 1, 'gmx::analysismodules::anonymous_namespace{scattering.cpp}']]],\n     ['schedulecheckoflocaltopology_150', ['scheduleCheckOfLocalTopology', ['../classgmx_1_1LocalTopologyChecker.xhtml#a0d84c8f23ed94741752cf48063dee793', 1, 'gmx::LocalTopologyChecker']]],\n     ['scheduleoninitstep_151', ['ScheduleOnInitStep', ['../namespacegmx.xhtml#a65a4da1c9de2e9bed752f8b8a3f9f536', 1, 'gmx']]],\n-    ['scheduletask_152', ['scheduletask', ['../classgmx_1_1MttkElement.xhtml#aadb56e05e1e98a746c3d7efe690b36f9', 1, 'gmx::MttkElement::scheduleTask()'],\n+    ['scheduletask_152', ['scheduletask', ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#a481f40331c19d897e8f19f6e6df28c35', 1, 'gmx::FreeEnergyPerturbationData::Element::scheduleTask()'],\n         ['../classgmx_1_1VelocityScalingTemperatureCoupling.xhtml#a8978e8d9ea8378ce811b481ba300ceb2', 1, 'gmx::VelocityScalingTemperatureCoupling::scheduleTask()'],\n         ['../classgmx_1_1TrajectoryElement.xhtml#af5d77577c343b5a6213b0183599f0dd3', 1, 'gmx::TrajectoryElement::scheduleTask()'],\n         ['../classgmx_1_1StatePropagatorData_1_1Element.xhtml#a78ea1b79b3207c007545ee32f75a5c18', 1, 'gmx::StatePropagatorData::Element::scheduleTask()'],\n         ['../classgmx_1_1PullElement.xhtml#a5de27b8c103d61af4fc0d4485f0696d8', 1, 'gmx::PullElement::scheduleTask()'],\n         ['../classgmx_1_1Propagator.xhtml#ab0f183bf218447632393e134cd168926', 1, 'gmx::Propagator::scheduleTask()'],\n         ['../classgmx_1_1ParrinelloRahmanBarostat.xhtml#aedfd16655cf7fecee54f630ce17f59f7', 1, 'gmx::ParrinelloRahmanBarostat::scheduleTask()'],\n         ['../classgmx_1_1NoseHooverChainsElement.xhtml#ae18d9a9b5dd62c70e247de9cacb7e49b', 1, 'gmx::NoseHooverChainsElement::scheduleTask()'],\n         ['../classgmx_1_1MttkBoxScaling.xhtml#a843d396f3a4b61ba30f61e75621125bf', 1, 'gmx::MttkBoxScaling::scheduleTask()'],\n-        ['../classgmx_1_1ForceElement.xhtml#a5ee9dc6b064ef1302b6c1f87584a59fc', 1, 'gmx::ForceElement::scheduleTask()'],\n+        ['../classgmx_1_1MttkElement.xhtml#aadb56e05e1e98a746c3d7efe690b36f9', 1, 'gmx::MttkElement::scheduleTask()'],\n         ['../group__module__modularsimulator.xhtml#ga885f0c13ca151b4f3faff2b6693be4d5', 1, 'gmx::ISimulatorElement::scheduleTask()'],\n-        ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#a481f40331c19d897e8f19f6e6df28c35', 1, 'gmx::FreeEnergyPerturbationData::Element::scheduleTask()'],\n-        ['../classgmx_1_1ExpandedEnsembleElement.xhtml#a10f8d4fb2cf188bdfa934a3d41f504a7', 1, 'gmx::ExpandedEnsembleElement::scheduleTask()'],\n+        ['../classgmx_1_1ForceElement.xhtml#a5ee9dc6b064ef1302b6c1f87584a59fc', 1, 'gmx::ForceElement::scheduleTask()'],\n         ['../classgmx_1_1FirstOrderPressureCoupling.xhtml#aae8bd9e527ae47ec32a1bbdf7280d3d7', 1, 'gmx::FirstOrderPressureCoupling::scheduleTask()'],\n-        ['../classgmx_1_1AndersenTemperatureCoupling.xhtml#ac08b0da8d9082185faf25841681a52f6', 1, 'gmx::AndersenTemperatureCoupling::scheduleTask()'],\n-        ['../classgmx_1_1CheckpointHelper.xhtml#a816df5001cbd0c60982950c1bb4e949e', 1, 'gmx::CheckpointHelper::scheduleTask()'],\n-        ['../classgmx_1_1CompositeSimulatorElement.xhtml#a63bab13598122656712cebb8ba83997c', 1, 'gmx::CompositeSimulatorElement::scheduleTask()'],\n-        ['../classgmx_1_1ComputeGlobalsElement.xhtml#a6ad79f672990c0e51239a15dc170d442', 1, 'gmx::ComputeGlobalsElement::scheduleTask()'],\n+        ['../classgmx_1_1ExpandedEnsembleElement.xhtml#a10f8d4fb2cf188bdfa934a3d41f504a7', 1, 'gmx::ExpandedEnsembleElement::scheduleTask()'],\n         ['../classgmx_1_1EnergyData_1_1Element.xhtml#a087252166c905077ef90d523b181b975', 1, 'gmx::EnergyData::Element::scheduleTask()'],\n-        ['../classgmx_1_1ConstraintsElement.xhtml#a94d2b1115cc744e608601b6ae0755566', 1, 'gmx::ConstraintsElement::scheduleTask()']\n+        ['../classgmx_1_1ConstraintsElement.xhtml#a94d2b1115cc744e608601b6ae0755566', 1, 'gmx::ConstraintsElement::scheduleTask()'],\n+        ['../classgmx_1_1ComputeGlobalsElement.xhtml#a6ad79f672990c0e51239a15dc170d442', 1, 'gmx::ComputeGlobalsElement::scheduleTask()'],\n+        ['../classgmx_1_1CompositeSimulatorElement.xhtml#a63bab13598122656712cebb8ba83997c', 1, 'gmx::CompositeSimulatorElement::scheduleTask()'],\n+        ['../classgmx_1_1CheckpointHelper.xhtml#a816df5001cbd0c60982950c1bb4e949e', 1, 'gmx::CheckpointHelper::scheduleTask()'],\n+        ['../classgmx_1_1AndersenTemperatureCoupling.xhtml#ac08b0da8d9082185faf25841681a52f6', 1, 'gmx::AndersenTemperatureCoupling::scheduleTask()']\n     ]],\n     ['scheduling_153', ['Task scheduling', ['../page_modularsimulator.xhtml#autotoc_md18', 1, '']]],\n     ['schedulingfunction_154', ['SchedulingFunction', ['../group__module__modularsimulator.xhtml#ga2e5213722419e15e533f31b31705c19c', 1, 'gmx']]],\n     ['sci_155', ['sci', ['../structgmx_1_1nbnxn__sci__t.xhtml#a141062a74177d642598eeb71c284be7f', 1, 'gmx::nbnxn_sci_t::sci'],\n         ['../classgmx_1_1GpuPairlist.xhtml#acc6ae1d537c8f146c856d2c987108990', 1, 'gmx::GpuPairlist::sci']\n     ]],\n     ['sciallocationsize_156', ['sciAllocationSize', ['../classgmx_1_1GpuPairlist.xhtml#a257db9e44327b49b3d967c26256f82be', 1, 'gmx::GpuPairlist']]],\n@@ -256,24 +256,24 @@\n     ['secondarystructuretypes_177', ['SecondaryStructureTypes', ['../namespacegmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03.xhtml#a8ec2371446161e824ba0e6fb1edbba0c', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}']]],\n     ['secondworstvalue_178', ['secondWorstValue', ['../classgmx_1_1NelderMeadSimplex.xhtml#a8a13144969fb9e78af070d23bdd8773e', 1, 'gmx::NelderMeadSimplex']]],\n     ['section_179', ['Section', ['../classgmx_1_1OptionsAssigner_1_1Impl.xhtml#aa42ee379f117739637fea3d9ec66e6ac', 1, 'gmx::OptionsAssigner::Impl']]],\n     ['sectiondepth_5f_180', ['sectionDepth_', ['../classgmx_1_1HelpWriterContext_1_1Impl.xhtml#a47265320e684274c6eb2db8f34e6d4c8', 1, 'gmx::HelpWriterContext::Impl']]],\n     ['sectionlist_181', ['SectionList', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#a0b5d7191a67300492668b579b3d8c7d7', 1, 'gmx::internal::OptionSectionImpl']]],\n     ['sectionpointer_182', ['SectionPointer', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#ad7c03ec290814714430d5da793da8b1c', 1, 'gmx::internal::OptionSectionImpl']]],\n     ['sectionstack_5f_183', ['sectionStack_', ['../classgmx_1_1OptionsAssigner_1_1Impl.xhtml#a12895288cec1aa199d4139c526299ec4', 1, 'gmx::OptionsAssigner::Impl']]],\n-    ['seed_184', ['seed', ['../classgmx_1_1ThreeFry2x64General.xhtml#a1a1d881fcb5a3da2c4a94d990d85c482', 1, 'gmx::ThreeFry2x64General::seed(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)'],\n-        ['../classgmx_1_1ThreeFry2x64General.xhtml#a314085e7fd7c311d6df66b13553bab45', 1, 'gmx::ThreeFry2x64General::seed(uint64_t key0, uint64_t key1)'],\n+    ['seed_184', ['seed', ['../classgmx_1_1ThreeFry2x64General.xhtml#a314085e7fd7c311d6df66b13553bab45', 1, 'gmx::ThreeFry2x64General::seed(uint64_t key0, uint64_t key1)'],\n+        ['../classgmx_1_1ThreeFry2x64General.xhtml#a1a1d881fcb5a3da2c4a94d990d85c482', 1, 'gmx::ThreeFry2x64General::seed(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)'],\n         ['../classgmx_1_1AwhParams.xhtml#a6c1008edd52ae4e2e1ea5263448fac7b', 1, 'gmx::AwhParams::seed()'],\n         ['../structgmx__repl__ex.xhtml#a361aebb35292ccabe9cc53e6fee091f4', 1, 'gmx_repl_ex::seed'],\n         ['../structgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTestParameters.xhtml#ae687ff9b9091d65451e124e906ef5c7c', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters::seed']\n     ]],\n     ['seed_2ecpp_185', ['seed.cpp', ['../tests_2seed_8cpp.xhtml', 1, '']]],\n     ['seed_2eh_186', ['seed.h', ['../seed_8h.xhtml', 1, '']]],\n-    ['seed_5f_187', ['seed_', ['../classgmx_1_1test_1_1BiasFepLambdaStateTest.xhtml#a3c0987ff66d3da9b720ed7543bc84411', 1, 'gmx::test::BiasFepLambdaStateTest::seed_'],\n-        ['../classgmx_1_1test_1_1BiasTest.xhtml#a43cc4a05fb282e096cf2bb1e792e7917', 1, 'gmx::test::BiasTest::seed_']\n+    ['seed_5f_187', ['seed_', ['../classgmx_1_1test_1_1BiasTest.xhtml#a43cc4a05fb282e096cf2bb1e792e7917', 1, 'gmx::test::BiasTest::seed_'],\n+        ['../classgmx_1_1test_1_1BiasFepLambdaStateTest.xhtml#a3c0987ff66d3da9b720ed7543bc84411', 1, 'gmx::test::BiasFepLambdaStateTest::seed_']\n     ]],\n     ['sel_188', ['sel', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#ad61f4043df826e04bd19ede14da87576', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::sel'],\n         ['../structgmx__ana__selcollection__t.xhtml#a5e28e2020cfd3bcd4018cb981db4eee3', 1, 'gmx_ana_selcollection_t::sel']\n     ]],\n     ['sel_5fallocdata_189', ['SEL_ALLOCDATA', ['../selelem_8h.xhtml#a9014d6430c86dbc2ed5a067436bcf6f4', 1, 'selelem.h']]],\n     ['sel_5fallocval_190', ['SEL_ALLOCVAL', ['../selelem_8h.xhtml#a6fee1910b915d2f6e873f134e297ab47', 1, 'selelem.h']]],\n     ['sel_5farithmetic_191', ['SEL_ARITHMETIC', ['../selelem_8h.xhtml#a1f104d5c71b1198ef51acc4ef016ae46a8b75dccbec633c2002ea8c8fd3639b0e', 1, 'selelem.h']]],\n@@ -311,19 +311,19 @@\n     ['sel_5fsubexprref_223', ['SEL_SUBEXPRREF', ['../selelem_8h.xhtml#a1f104d5c71b1198ef51acc4ef016ae46af3e44c019a776df8511a73457f9b32b4', 1, 'selelem.h']]],\n     ['sel_5funsorted_224', ['SEL_UNSORTED', ['../selelem_8h.xhtml#a993cd91de7b993da0e8efdbf8cc5386f', 1, 'selelem.h']]],\n     ['sel_5fupdatefunc_225', ['sel_updatefunc', ['../selmethod_8h.xhtml#aa73fc6b6edda191f639f8a928d2ba3ab', 1, 'selmethod.h']]],\n     ['sel_5fupdatefunc_5fpos_226', ['sel_updatefunc_pos', ['../selmethod_8h.xhtml#a5d3ca539422830ca820770e9a481ce68', 1, 'selmethod.h']]],\n     ['sel_5fvalflagmask_227', ['SEL_VALFLAGMASK', ['../selelem_8h.xhtml#a655f74bf854b705aee5a7c89bc94f597', 1, 'selelem.h']]],\n     ['sel_5fvaltypemask_228', ['SEL_VALTYPEMASK', ['../selelem_8h.xhtml#a8e88981dc413e3eb7356fd2a64bcf481', 1, 'selelem.h']]],\n     ['sel_5fvarnumval_229', ['SEL_VARNUMVAL', ['../selelem_8h.xhtml#aa6b7039bec845775c664246914b30d50', 1, 'selelem.h']]],\n-    ['select_230', ['select', ['../namespacegmx.xhtml#af2ca01657023e02580baaaf0c011a60ca99938282f04071859941e18f16efcf42', 1, 'gmx::select'],\n-        ['../namespacegmx.xhtml#a9b2fd966c924499613d71524e3d69471a99938282f04071859941e18f16efcf42', 1, 'gmx::select']\n+    ['select_230', ['select', ['../namespacegmx.xhtml#a9b2fd966c924499613d71524e3d69471a99938282f04071859941e18f16efcf42', 1, 'gmx::select'],\n+        ['../namespacegmx.xhtml#af2ca01657023e02580baaaf0c011a60ca99938282f04071859941e18f16efcf42', 1, 'gmx::select']\n     ]],\n-    ['select_2ecpp_231', ['select.cpp', ['../modules_2select_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2select_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['select_2ecpp_231', ['select.cpp', ['../tests_2select_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../modules_2select_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['select_2eh_232', ['select.h', ['../select_8h.xhtml', 1, '']]],\n     ['select_5fnbnxn_5fkernel_233', ['select_nbnxn_kernel', ['../namespacegmx.xhtml#afbeeff7e89d450a37a860d9f81b982e6', 1, 'gmx']]],\n     ['select_5fon_5fcontainer_5fcopy_5fconstruction_234', ['select_on_container_copy_construction', ['../classgmx_1_1HostAllocationPolicy.xhtml#a8ffcc79b54332af1e9f17b673c907bfb', 1, 'gmx::HostAllocationPolicy']]],\n     ['selectbondedkernelflavor_235', ['selectBondedKernelFlavor', ['../namespaceanonymous__namespace_02listed__forces_8cpp_03.xhtml#a8144ca2c7cf4a6a35269e93d8eb52e4f', 1, 'anonymous_namespace{listed_forces.cpp}']]],\n     ['selectbymask_236', ['selectbymask', ['../group__module__simd.xhtml#ga223de776671702527c62b4da8f6e570a', 1, 'gmx::selectByMask(Simd4Double a, Simd4DBool mask)'],\n         ['../group__module__simd.xhtml#ga76ed0866ac21967e0a9641acca32ab50', 1, 'gmx::selectByMask(Simd4Float a, Simd4FBool mask)'],\n@@ -365,85 +365,85 @@\n     ['selection_20methods_248', ['Custom selection methods', ['../page_module_selection_custom.xhtml', 1, 'page_selections']]],\n     ['selection_20modifiers_249', ['selection modifiers', ['../todo.xhtml#_todo000202', 1, 'Selection modifiers'],\n         ['../page_module_selection_custom.xhtml#selmethods_modifiers', 1, 'Selection modifiers']\n     ]],\n     ['selection_20parsing_250', ['Selection parsing', ['../page_module_selection_parser.xhtml', 1, 'page_selections']]],\n     ['selection_2ecpp_251', ['selection.cpp', ['../selection_8cpp.xhtml', 1, '']]],\n     ['selection_2eh_252', ['selection.h', ['../selection_8h.xhtml', 1, '']]],\n-    ['selectioncollection_253', ['selectioncollection', ['../classgmx_1_1AnalysisDataPlotSettings.xhtml#aee72b1af0481b99ca67e0ca0beefaa28', 1, 'gmx::AnalysisDataPlotSettings::selectionCollection()'],\n-        ['../classgmx_1_1SelectionCollection.xhtml', 1, 'gmx::SelectionCollection'],\n+    ['selectioncollection_253', ['selectioncollection', ['../classgmx_1_1SelectionCollection.xhtml', 1, 'gmx::SelectionCollection'],\n+        ['../classgmx_1_1AnalysisDataPlotSettings.xhtml#aee72b1af0481b99ca67e0ca0beefaa28', 1, 'gmx::AnalysisDataPlotSettings::selectionCollection()'],\n         ['../classgmx_1_1SelectionCollection.xhtml#af4c4da031a86714c51d96f203ecc80b8', 1, 'gmx::SelectionCollection::SelectionCollection()']\n     ]],\n     ['selectioncollection_2ecpp_254', ['selectioncollection.cpp', ['../tests_2selectioncollection_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../selectioncollection_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['selectioncollection_2eh_255', ['selectioncollection.h', ['../selectioncollection_8h.xhtml', 1, '']]],\n     ['selectioncollection_5fimpl_2eh_256', ['selectioncollection_impl.h', ['../selectioncollection__impl_8h.xhtml', 1, '']]],\n-    ['selectiondata_257', ['selectiondata', ['../classgmx_1_1internal_1_1SelectionData.xhtml', 1, 'gmx::internal::SelectionData'],\n-        ['../classgmx_1_1internal_1_1SelectionData.xhtml#a1424b17d6e37e120fe5f8f0eb74a99e7', 1, 'gmx::internal::SelectionData::SelectionData()']\n+    ['selectiondata_257', ['selectiondata', ['../classgmx_1_1internal_1_1SelectionData.xhtml#a1424b17d6e37e120fe5f8f0eb74a99e7', 1, 'gmx::internal::SelectionData::SelectionData()'],\n+        ['../classgmx_1_1internal_1_1SelectionData.xhtml', 1, 'gmx::internal::SelectionData']\n     ]],\n     ['selectiondatalist_258', ['SelectionDataList', ['../namespacegmx.xhtml#ab5559201ddf8596d12d99a3c3e45e989', 1, 'gmx']]],\n     ['selectiondatapointer_259', ['SelectionDataPointer', ['../namespacegmx.xhtml#a0e73e50cc7002a24229fa6650b8ccfc8', 1, 'gmx']]],\n     ['selectionenums_2eh_260', ['selectionenums.h', ['../selectionenums_8h.xhtml', 1, '']]],\n     ['selectionevaluator_261', ['SelectionEvaluator', ['../classgmx_1_1SelectionEvaluator.xhtml', 1, 'gmx']]],\n-    ['selectionfileoption_262', ['selectionfileoption', ['../classgmx_1_1SelectionFileOption.xhtml#aa940b6e3a02a85f35fc15feb358c180a', 1, 'gmx::SelectionFileOption::SelectionFileOption()'],\n-        ['../classgmx_1_1SelectionFileOption.xhtml', 1, 'gmx::SelectionFileOption']\n+    ['selectionfileoption_262', ['selectionfileoption', ['../classgmx_1_1SelectionFileOption.xhtml', 1, 'gmx::SelectionFileOption'],\n+        ['../classgmx_1_1SelectionFileOption.xhtml#aa940b6e3a02a85f35fc15feb358c180a', 1, 'gmx::SelectionFileOption::SelectionFileOption()']\n     ]],\n     ['selectionfileoption_2eh_263', ['selectionfileoption.h', ['../selectionfileoption_8h.xhtml', 1, '']]],\n-    ['selectionfileoptioninfo_264', ['selectionfileoptioninfo', ['../classgmx_1_1SelectionFileOptionInfo.xhtml#a06b3244951d2d48ca1a043a0048c392b', 1, 'gmx::SelectionFileOptionInfo::SelectionFileOptionInfo()'],\n-        ['../classgmx_1_1SelectionFileOptionInfo.xhtml', 1, 'gmx::SelectionFileOptionInfo']\n+    ['selectionfileoptioninfo_264', ['selectionfileoptioninfo', ['../classgmx_1_1SelectionFileOptionInfo.xhtml', 1, 'gmx::SelectionFileOptionInfo'],\n+        ['../classgmx_1_1SelectionFileOptionInfo.xhtml#a06b3244951d2d48ca1a043a0048c392b', 1, 'gmx::SelectionFileOptionInfo::SelectionFileOptionInfo()']\n     ]],\n     ['selectionfileoptionstorage_265', ['selectionfileoptionstorage', ['../classgmx_1_1SelectionFileOptionStorage.xhtml#a3aa962f9183980c1a4e3e9c240540cfd', 1, 'gmx::SelectionFileOptionStorage::SelectionFileOptionStorage()'],\n         ['../classgmx_1_1SelectionFileOptionStorage.xhtml', 1, 'gmx::SelectionFileOptionStorage']\n     ]],\n     ['selectionfileoptionstorage_2eh_266', ['selectionfileoptionstorage.h', ['../selectionfileoptionstorage_8h.xhtml', 1, '']]],\n     ['selectionflag_267', ['SelectionFlag', ['../namespacegmx.xhtml#a19038c03ebc67b4c8e7da4ee81cbc836', 1, 'gmx']]],\n     ['selectionflags_268', ['SelectionFlags', ['../namespacegmx.xhtml#a4d80aa80d970cd0d36eeac2f5d146dcf', 1, 'gmx']]],\n     ['selectionlist_269', ['SelectionList', ['../namespacegmx.xhtml#ac852a0801cf49723903e23bc77a32163', 1, 'gmx']]],\n     ['selectionlocation_270', ['SelectionLocation', ['../structgmx_1_1SelectionLocation.xhtml', 1, 'gmx']]],\n-    ['selectionoption_271', ['selectionoption', ['../classgmx_1_1SelectionOption.xhtml', 1, 'gmx::SelectionOption'],\n-        ['../classgmx_1_1SelectionOption.xhtml#a3b7fd0aeff67eb82d3e42adfe912ee4d', 1, 'gmx::SelectionOption::SelectionOption()']\n+    ['selectionoption_271', ['selectionoption', ['../classgmx_1_1SelectionOption.xhtml#a3b7fd0aeff67eb82d3e42adfe912ee4d', 1, 'gmx::SelectionOption::SelectionOption()'],\n+        ['../classgmx_1_1SelectionOption.xhtml', 1, 'gmx::SelectionOption']\n     ]],\n     ['selectionoption_2ecpp_272', ['selectionoption.cpp', ['../tests_2selectionoption_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../selectionoption_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['selectionoption_2eh_273', ['selectionoption.h', ['../selectionoption_8h.xhtml', 1, '']]],\n-    ['selectionoptionbehavior_274', ['selectionoptionbehavior', ['../classgmx_1_1SelectionOptionBehavior.xhtml#a21603fb725d94a93250b0be84d3d7a6c', 1, 'gmx::SelectionOptionBehavior::SelectionOptionBehavior()'],\n-        ['../classgmx_1_1SelectionOptionBehavior.xhtml', 1, 'gmx::SelectionOptionBehavior']\n+    ['selectionoptionbehavior_274', ['selectionoptionbehavior', ['../classgmx_1_1SelectionOptionBehavior.xhtml', 1, 'gmx::SelectionOptionBehavior'],\n+        ['../classgmx_1_1SelectionOptionBehavior.xhtml#a21603fb725d94a93250b0be84d3d7a6c', 1, 'gmx::SelectionOptionBehavior::SelectionOptionBehavior()']\n     ]],\n     ['selectionoptionbehavior_2ecpp_275', ['selectionoptionbehavior.cpp', ['../selectionoptionbehavior_8cpp.xhtml', 1, '']]],\n     ['selectionoptionbehavior_2eh_276', ['selectionoptionbehavior.h', ['../selectionoptionbehavior_8h.xhtml', 1, '']]],\n-    ['selectionoptioninfo_277', ['selectionoptioninfo', ['../classgmx_1_1SelectionOptionInfo.xhtml', 1, 'gmx::SelectionOptionInfo'],\n-        ['../classgmx_1_1SelectionOptionInfo.xhtml#a86d460125f437e3a579f100685a5d46f', 1, 'gmx::SelectionOptionInfo::SelectionOptionInfo()']\n+    ['selectionoptioninfo_277', ['selectionoptioninfo', ['../classgmx_1_1SelectionOptionInfo.xhtml#a86d460125f437e3a579f100685a5d46f', 1, 'gmx::SelectionOptionInfo::SelectionOptionInfo()'],\n+        ['../classgmx_1_1SelectionOptionInfo.xhtml', 1, 'gmx::SelectionOptionInfo']\n     ]],\n     ['selectionoptionmanager_278', ['selectionoptionmanager', ['../classgmx_1_1SelectionOptionManager.xhtml', 1, 'gmx::SelectionOptionManager'],\n         ['../classgmx_1_1SelectionOptionManager.xhtml#abfcd429376957cf60d31daed35726a85', 1, 'gmx::SelectionOptionManager::SelectionOptionManager()']\n     ]],\n     ['selectionoptionmanager_2ecpp_279', ['selectionoptionmanager.cpp', ['../selectionoptionmanager_8cpp.xhtml', 1, '']]],\n     ['selectionoptionmanager_2eh_280', ['selectionoptionmanager.h', ['../selectionoptionmanager_8h.xhtml', 1, '']]],\n-    ['selectionoptionstorage_281', ['selectionoptionstorage', ['../classgmx_1_1SelectionOptionStorage.xhtml', 1, 'gmx::SelectionOptionStorage'],\n-        ['../classgmx_1_1Selection.xhtml#a3dd781afa3dc217f65462ce050a61552', 1, 'gmx::Selection::SelectionOptionStorage'],\n+    ['selectionoptionstorage_281', ['selectionoptionstorage', ['../classgmx_1_1SelectionOptionStorage.xhtml#aecf586e2202f78eaf691bfda3ce76ce3', 1, 'gmx::SelectionOptionStorage::SelectionOptionStorage()'],\n+        ['../classgmx_1_1SelectionOptionManager.xhtml#a3dd781afa3dc217f65462ce050a61552', 1, 'gmx::SelectionOptionManager::SelectionOptionStorage'],\n         ['../classgmx_1_1SelectionOption.xhtml#a3dd781afa3dc217f65462ce050a61552', 1, 'gmx::SelectionOption::SelectionOptionStorage'],\n-        ['../classgmx_1_1SelectionOptionStorage.xhtml#aecf586e2202f78eaf691bfda3ce76ce3', 1, 'gmx::SelectionOptionStorage::SelectionOptionStorage()'],\n-        ['../classgmx_1_1SelectionOptionManager.xhtml#a3dd781afa3dc217f65462ce050a61552', 1, 'gmx::SelectionOptionManager::SelectionOptionStorage']\n+        ['../classgmx_1_1Selection.xhtml#a3dd781afa3dc217f65462ce050a61552', 1, 'gmx::Selection::SelectionOptionStorage'],\n+        ['../classgmx_1_1SelectionOptionStorage.xhtml', 1, 'gmx::SelectionOptionStorage']\n     ]],\n     ['selectionoptionstorage_2eh_282', ['selectionoptionstorage.h', ['../selectionoptionstorage_8h.xhtml', 1, '']]],\n     ['selectionoptiontest_283', ['SelectionOptionTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02selectionoption_8cpp_03.xhtml#a487dc4b515d818fb5a19fc87eb689073', 1, 'gmx::test::anonymous_namespace{selectionoption.cpp}']]],\n     ['selectionparserparameter_284', ['SelectionParserParameter', ['../classgmx_1_1SelectionParserParameter.xhtml', 1, 'gmx']]],\n     ['selectionparserparameterlist_285', ['SelectionParserParameterList', ['../namespacegmx.xhtml#a2000e8454576fcfcd5a8fdc5d060da4e', 1, 'gmx']]],\n     ['selectionparserparameterlistpointer_286', ['SelectionParserParameterListPointer', ['../namespacegmx.xhtml#af69a9fb56d051d95e77a90d57a9fa42e', 1, 'gmx']]],\n     ['selectionparsersymbol_287', ['SelectionParserSymbol', ['../classgmx_1_1SelectionParserSymbol.xhtml', 1, 'gmx']]],\n-    ['selectionparsersymboliterator_288', ['selectionparsersymboliterator', ['../classgmx_1_1SelectionParserSymbolTable.xhtml#a52ff44641590304f3b65ae1e3ecf1ebf', 1, 'gmx::SelectionParserSymbolTable::SelectionParserSymbolIterator'],\n-        ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#af149c9045ffc0192c59dd228aba393f4', 1, 'gmx::SelectionParserSymbolIterator::SelectionParserSymbolIterator()'],\n-        ['../classgmx_1_1SelectionParserSymbolIterator.xhtml', 1, 'gmx::SelectionParserSymbolIterator']\n+    ['selectionparsersymboliterator_288', ['selectionparsersymboliterator', ['../classgmx_1_1SelectionParserSymbolIterator.xhtml', 1, 'gmx::SelectionParserSymbolIterator'],\n+        ['../classgmx_1_1SelectionParserSymbolTable.xhtml#a52ff44641590304f3b65ae1e3ecf1ebf', 1, 'gmx::SelectionParserSymbolTable::SelectionParserSymbolIterator'],\n+        ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#af149c9045ffc0192c59dd228aba393f4', 1, 'gmx::SelectionParserSymbolIterator::SelectionParserSymbolIterator()']\n     ]],\n     ['selectionparsersymboltable_289', ['selectionparsersymboltable', ['../classgmx_1_1SelectionParserSymbol.xhtml#a6f47492a3d07b5596df7c88528a15e1c', 1, 'gmx::SelectionParserSymbol::SelectionParserSymbolTable'],\n-        ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#a6f47492a3d07b5596df7c88528a15e1c', 1, 'gmx::SelectionParserSymbolIterator::SelectionParserSymbolTable'],\n         ['../classgmx_1_1SelectionParserSymbolTable.xhtml#a0e527683bcbb13c1ccf66187e380c3a6', 1, 'gmx::SelectionParserSymbolTable::SelectionParserSymbolTable()'],\n-        ['../classgmx_1_1SelectionParserSymbolTable.xhtml', 1, 'gmx::SelectionParserSymbolTable']\n+        ['../classgmx_1_1SelectionParserSymbolTable.xhtml', 1, 'gmx::SelectionParserSymbolTable'],\n+        ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#a6f47492a3d07b5596df7c88528a15e1c', 1, 'gmx::SelectionParserSymbolIterator::SelectionParserSymbolTable']\n     ]],\n     ['selectionparservalue_290', ['SelectionParserValue', ['../classgmx_1_1SelectionParserValue.xhtml', 1, 'gmx']]],\n     ['selectionparservaluelist_291', ['SelectionParserValueList', ['../namespacegmx.xhtml#aec46c9561c55f7595677160ee727395d', 1, 'gmx']]],\n     ['selectionparservaluelistpointer_292', ['SelectionParserValueListPointer', ['../namespacegmx.xhtml#a043953ace26fa6e1f17f90245e3a29bd', 1, 'gmx']]],\n     ['selectionposition_293', ['selectionposition', ['../classgmx_1_1SelectionPosition.xhtml#a367587f7e23b341a85ae5d308b8a0ef8', 1, 'gmx::SelectionPosition::SelectionPosition()'],\n         ['../classgmx_1_1SelectionPosition.xhtml', 1, 'gmx::SelectionPosition']\n     ]],\n@@ -1180,16 +1180,16 @@\n     ['sfree_742', ['sfree', ['../smalloc_8h.xhtml#acd9f9223d6d8cad01c8f42a416d3292d', 1, 'smalloc.h']]],\n     ['sfree_5faligned_743', ['sfree_aligned', ['../smalloc_8h.xhtml#a746540f663a9e22da12123b3edaaefef', 1, 'smalloc.h']]],\n     ['sfree_5fguard_744', ['sfree_guard', ['../namespacegmx.xhtml#a48049c20e985f7cfbe33e8a8467cd3db', 1, 'gmx']]],\n     ['sfree_5fwrapper_745', ['sfree_wrapper', ['../namespacegmx.xhtml#aa097a11e79b9b187cadef998470f4e54', 1, 'gmx']]],\n     ['sh_5fewald_746', ['sh_ewald', ['../structgmx_1_1NBParamGpu.xhtml#a218b712c9ec9bd7df7976435d39748c1', 1, 'gmx::NBParamGpu::sh_ewald'],\n         ['../structgmx_1_1cl__nbparam__params.xhtml#a0b2323c28143841b07ae64d0189d7896', 1, 'gmx::cl_nbparam_params::sh_ewald']\n     ]],\n-    ['sh_5flj_5fewald_747', ['sh_lj_ewald', ['../structgmx_1_1cl__nbparam__params.xhtml#a698e15f32a7186c0e3c7ddf23fee458b', 1, 'gmx::cl_nbparam_params::sh_lj_ewald'],\n-        ['../structgmx_1_1NBParamGpu.xhtml#a38cc3ba15cfb624442ec638af3c89327', 1, 'gmx::NBParamGpu::sh_lj_ewald']\n+    ['sh_5flj_5fewald_747', ['sh_lj_ewald', ['../structgmx_1_1NBParamGpu.xhtml#a38cc3ba15cfb624442ec638af3c89327', 1, 'gmx::NBParamGpu::sh_lj_ewald'],\n+        ['../structgmx_1_1cl__nbparam__params.xhtml#a698e15f32a7186c0e3c7ddf23fee458b', 1, 'gmx::cl_nbparam_params::sh_lj_ewald']\n     ]],\n     ['shake_2ecpp_748', ['shake.cpp', ['../shake_8cpp.xhtml', 1, '']]],\n     ['shake_2eh_749', ['shake.h', ['../shake_8h.xhtml', 1, '']]],\n     ['shakedata_750', ['shakedata', ['../structgmx_1_1shakedata.xhtml', 1, 'gmx']]],\n     ['shaketest_751', ['ShakeTest', ['../classgmx_1_1test_1_1anonymous__namespace_02shake_8cpp_03_1_1ShakeTest.xhtml', 1, 'gmx::test::anonymous_namespace{shake.cpp}']]],\n     ['shape_752', ['Shape', ['../structgmx_1_1GaussianSpreadKernelParameters_1_1Shape.xhtml', 1, 'gmx::GaussianSpreadKernelParameters']]],\n     ['sharebiasmultisim_753', ['shareBiasMultisim', ['../classgmx_1_1AwhParams.xhtml#a18c750c872c4d9069375087ba17f8bb8', 1, 'gmx::AwhParams']]],\n@@ -1201,17 +1201,17 @@\n         ['../classgmx_1_1HelpWriterContext_1_1Impl_1_1SharedState.xhtml', 1, 'gmx::HelpWriterContext::Impl::SharedState']\n     ]],\n     ['shellcompletionformat_759', ['ShellCompletionFormat', ['../group__module__commandline.xhtml#ga996baa646a1074569194ee226c23efae', 1, 'gmx']]],\n     ['shellcompletions_2ecpp_760', ['shellcompletions.cpp', ['../shellcompletions_8cpp.xhtml', 1, '']]],\n     ['shellcompletions_2eh_761', ['shellcompletions.h', ['../shellcompletions_8h.xhtml', 1, '']]],\n     ['shellcompletionwriter_762', ['shellCompletionWriter', ['../classgmx_1_1CommandLineHelpContext.xhtml#af7df115f5f2486d4b70ae5501b3d99e2', 1, 'gmx::CommandLineHelpContext']]],\n     ['shellfcelement_20tt_763', ['&lt;tt&gt;ForceElement&lt;/tt&gt; and &lt;tt&gt;ShellFCElement&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md25', 1, '']]],\n-    ['shift_764', ['shift', ['../classgmx_1_1DomdecZones.xhtml#ab624493532261c9a82b2a61f07dfb006', 1, 'gmx::DomdecZones::shift()'],\n-        ['../structgmx_1_1nbnxn__sci__t.xhtml#a29f62d86141a587e30bc746105366d0e', 1, 'gmx::nbnxn_sci_t::shift'],\n-        ['../structgmx_1_1nbnxn__ci__t.xhtml#a13d2d9c337b18c0e5a19e4bc91b7580c', 1, 'gmx::nbnxn_ci_t::shift']\n+    ['shift_764', ['shift', ['../structgmx_1_1nbnxn__ci__t.xhtml#a13d2d9c337b18c0e5a19e4bc91b7580c', 1, 'gmx::nbnxn_ci_t::shift'],\n+        ['../classgmx_1_1DomdecZones.xhtml#ab624493532261c9a82b2a61f07dfb006', 1, 'gmx::DomdecZones::shift()'],\n+        ['../structgmx_1_1nbnxn__sci__t.xhtml#a29f62d86141a587e30bc746105366d0e', 1, 'gmx::nbnxn_sci_t::shift']\n     ]],\n     ['shift_5fpositions_765', ['shift_positions', ['../namespacegmx.xhtml#a0a47f39d8f7170e0b554c5c04f22c1d7', 1, 'gmx']]],\n     ['shift_5fvec_766', ['shift_vec', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#ad4c756e192846b7670a2df943ce4f16c', 1, 'gmx::nbnxn_atomdata_t']]],\n     ['shiftatoms_767', ['shiftAtoms', ['../namespacegmx.xhtml#a465856d3920a2e0c4f8b8f64c71d0fbb', 1, 'gmx']]],\n     ['shiftforces_768', ['shiftforces', ['../classgmx_1_1ThreadForceBuffer.xhtml#a7903fcc781e4cc1a727b92178a700f30', 1, 'gmx::ThreadForceBuffer::shiftForces()'],\n         ['../classForceHelperBuffers.xhtml#a43726d5d39d7e679d5116d5f4f33539f', 1, 'ForceHelperBuffers::shiftForces()'],\n         ['../classgmx_1_1ForceWithShiftForces.xhtml#ac7b3d4c9595d204f1c92dab8091ddd6b', 1, 'gmx::ForceWithShiftForces::shiftForces() const'],\n@@ -1220,18 +1220,18 @@\n     ['shiftindex_769', ['shiftIndex', ['../structt__nblist_1_1IEntry.xhtml#a7b305705092944e43fd27993e784df6d', 1, 't_nblist::IEntry']]],\n     ['shiftindextoxdim_770', ['shiftIndexToXDim', ['../namespacegmx.xhtml#a0040ac9986fb3284dbc61fdb52125c00', 1, 'gmx']]],\n     ['shiftmultipledomains_771', ['shiftMultipleDomains', ['../classgmx_1_1DomainCommBackward.xhtml#abba53d12214732e0ef7ec63ec99bf5d5', 1, 'gmx::DomainCommBackward']]],\n     ['shiftvec_772', ['shiftVec', ['../structgmx_1_1NBAtomDataGpu.xhtml#a184771b52c1f72259348b14fce157998', 1, 'gmx::NBAtomDataGpu']]],\n     ['shiftvecuploaded_773', ['shiftVecUploaded', ['../structgmx_1_1NBAtomDataGpu.xhtml#aadde322dc817f4bf5a1ce040b0dffb87', 1, 'gmx::NBAtomDataGpu']]],\n     ['short_20range_20non_20bonded_20interaction_20module_774', ['Short-range non-bonded interaction module', ['../group______module__nbnxm.xhtml', 1, '']]],\n     ['shortdescription_775', ['shortdescription', ['../classanonymous__namespace_02legacymodules_8cpp_03_1_1ObsoleteToolModule.xhtml#a607d95852f28491e0f1bf24d333d33ac', 1, 'anonymous_namespace{legacymodules.cpp}::ObsoleteToolModule::shortDescription()'],\n+        ['../classgmx_1_1ConvertTprInfo.xhtml#af6535e3438bad3f7568a930e1688b273', 1, 'gmx::ConvertTprInfo::shortDescription'],\n         ['../classgmx_1_1test_1_1MockModule.xhtml#a524bc12130c3d4556c40bbdd959e19cc', 1, 'gmx::test::MockModule::shortDescription()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#a9febf5b09cc0e747ca7a7eaa43a0ce5c', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::shortDescription()'],\n         ['../classgmx_1_1ICommandLineModule.xhtml#aae4edf891d789a6d24701207074d2bc2', 1, 'gmx::ICommandLineModule::shortDescription()'],\n-        ['../classgmx_1_1ConvertTprInfo.xhtml#af6535e3438bad3f7568a930e1688b273', 1, 'gmx::ConvertTprInfo::shortDescription'],\n         ['../classgmx_1_1CommandLineHelpModule.xhtml#a0364e8b334f08f70c60012830c866d2b', 1, 'gmx::CommandLineHelpModule::shortDescription()'],\n         ['../classgmx_1_1NonbondedBenchmarkInfo.xhtml#af53c9db85517ae7897a49e34f32bb23b', 1, 'gmx::NonbondedBenchmarkInfo::shortDescription']\n     ]],\n     ['should_20use_20in_20practice_776', ['The subset you should use in practice', ['../page_simd.xhtml#autotoc_md63', 1, '']]],\n     ['should_5fmerge_777', ['should_merge', ['../poscalc_8cpp.xhtml#adb897f64df8059b6217d230c89a0cdf8', 1, 'poscalc.cpp']]],\n     ['shouldbackup_778', ['shouldBackup', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#aae46d784b9e9facdb58bd44aec2500b8', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldbequiet_779', ['shouldBeQuiet', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#acaf8fd70a59ed9e827620495f95beb40', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n@@ -1243,30 +1243,30 @@\n     ['shouldignoreactualmodule_783', ['shouldIgnoreActualModule', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#accab4527c9c43bed058c69f6aa39515e', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldnotifyimmediately_784', ['shouldNotifyImmediately', ['../classgmx_1_1internal_1_1AnalysisDataStorageImpl.xhtml#a460c8523ba9d64a48fd9fc18d1f61a49', 1, 'gmx::internal::AnalysisDataStorageImpl']]],\n     ['shouldshowhelp_785', ['shouldShowHelp', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#a85a35f6c87b8f55301c1e93da0b3463f', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldshowhidden_786', ['shouldShowHidden', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#ac2f63b398be8cd30de8504c87d4f6683', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['showhidden_787', ['showHidden', ['../classgmx_1_1CommandLineHelpContext.xhtml#a1b5296d1e85db490f341448c0aab2c45', 1, 'gmx::CommandLineHelpContext']]],\n     ['shrinksimplexpointsexceptbest_788', ['shrinkSimplexPointsExceptBest', ['../classgmx_1_1NelderMeadSimplex.xhtml#add8ea70a51f8e679c136a98e0e067b41', 1, 'gmx::NelderMeadSimplex']]],\n     ['sig_789', ['sig', ['../classgmx_1_1SimulationSignal.xhtml#ac2b2a5f8c7a4c388bae77fc1288290c3', 1, 'gmx::SimulationSignal']]],\n-    ['sigma_790', ['sigma', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#adf1f3d4411f310e36cd9cf12a86fe062', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::sigma'],\n-        ['../structt__UmbrellaWindow.xhtml#a3e49bfb4ee28733b17ee5da4530797d2', 1, 't_UmbrellaWindow::sigma']\n+    ['sigma_790', ['sigma', ['../structt__UmbrellaWindow.xhtml#a3e49bfb4ee28733b17ee5da4530797d2', 1, 't_UmbrellaWindow::sigma'],\n+        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#adf1f3d4411f310e36cd9cf12a86fe062', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::sigma']\n     ]],\n     ['sigma_5f_791', ['sigma_', ['../structgmx_1_1anonymous__namespace_02neldermead_8cpp_03_1_1NelderMeadParameters.xhtml#ae7d41103125700257eaae651d2da9e78', 1, 'gmx::anonymous_namespace{neldermead.cpp}::NelderMeadParameters::sigma_'],\n         ['../structgmx_1_1GaussianSpreadKernelParameters_1_1Shape.xhtml#ae1344660b67767f2645178a84fe29ac7', 1, 'gmx::GaussianSpreadKernelParameters::Shape::sigma_'],\n         ['../classgmx_1_1GaussTransform3D_1_1Impl.xhtml#ab0d50c6fdbdcb94b9c0a7bfa3c0f7666', 1, 'gmx::GaussTransform3D::Impl::sigma_'],\n         ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#abc31d2b29be8bfc147542841e17fefbb', 1, 'gmx::DensityFittingForce::Impl::sigma_']\n     ]],\n     ['sigmah_792', ['sigmaH', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testsystem_8cpp_03.xhtml#a13d87d7231f700993326f136199610e0', 1, 'gmx::test::anonymous_namespace{testsystem.cpp}']]],\n     ['sigmao_793', ['sigmaO', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testsystem_8cpp_03.xhtml#ac8bae4d3c92d139e5bb15b70002d7cc9', 1, 'gmx::test::anonymous_namespace{testsystem.cpp}']]],\n     ['signal_794', ['signal', ['../classgmx_1_1EnergySignaller.xhtml#a22d8678a2fbb90b777955452562ce57e', 1, 'gmx::EnergySignaller::signal()'],\n-        ['../classgmx_1_1LoggingSignaller.xhtml#af84dd04e1f70040fb35e7924ff38683e', 1, 'gmx::LoggingSignaller::signal()'],\n-        ['../classgmx_1_1LastStepSignaller.xhtml#ad6d2d54ef1fbb9439afb3f540b528a90', 1, 'gmx::LastStepSignaller::signal()'],\n+        ['../group__module__modularsimulator.xhtml#gad7b381eec03a5ce4c110475c4d722fa1', 1, 'gmx::ISignaller::signal()'],\n         ['../classgmx_1_1NeighborSearchSignaller.xhtml#a7edfb87a360726e4bfbcc5faf0125c16', 1, 'gmx::NeighborSearchSignaller::signal()'],\n-        ['../classgmx_1_1TrajectorySignaller.xhtml#a0f409da6d78ba6e84603ea3461972fdd', 1, 'gmx::TrajectorySignaller::signal()'],\n-        ['../group__module__modularsimulator.xhtml#gad7b381eec03a5ce4c110475c4d722fa1', 1, 'gmx::ISignaller::signal()']\n+        ['../classgmx_1_1LastStepSignaller.xhtml#ad6d2d54ef1fbb9439afb3f540b528a90', 1, 'gmx::LastStepSignaller::signal()'],\n+        ['../classgmx_1_1LoggingSignaller.xhtml#af84dd04e1f70040fb35e7924ff38683e', 1, 'gmx::LoggingSignaller::signal()'],\n+        ['../classgmx_1_1TrajectorySignaller.xhtml#a0f409da6d78ba6e84603ea3461972fdd', 1, 'gmx::TrajectorySignaller::signal()']\n     ]],\n     ['signalintersim_795', ['signalInterSim', ['../classgmx_1_1SimulationSignaller.xhtml#a8072d5a64fa7fc9547b110bc3c1ebd0f', 1, 'gmx::SimulationSignaller']]],\n     ['signaller_20and_20element_20details_796', ['Signaller and element details', ['../page_modularsimulator.xhtml#autotoc_md20', 1, '']]],\n     ['signallerbuilder_797', ['SignallerBuilder', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n     ['signallerbuilder_3c_20energysignaller_20_3e_798', ['SignallerBuilder&lt; EnergySignaller &gt;', ['../classgmx_1_1EnergySignaller.xhtml#afb979459db2487c5003e22e8354735d7', 1, 'gmx::EnergySignaller']]],\n     ['signallerbuilder_3c_20gmx_3a_3aenergysignaller_20_3e_799', ['SignallerBuilder&lt; gmx::EnergySignaller &gt;', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n     ['signallerbuilder_3c_20gmx_3a_3alaststepsignaller_20_3e_800', ['SignallerBuilder&lt; gmx::LastStepSignaller &gt;', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n@@ -1310,16 +1310,16 @@\n     ]],\n     ['simd4double_833', ['simd4double', ['../classgmx_1_1Simd4Double.xhtml', 1, 'gmx::Simd4Double'],\n         ['../classgmx_1_1Simd4Double.xhtml#a92931f93554548894cd5daa60af49525', 1, 'gmx::Simd4Double::Simd4Double()']\n     ]],\n     ['simd4fbool_834', ['simd4fbool', ['../classgmx_1_1Simd4FBool.xhtml', 1, 'gmx::Simd4FBool'],\n         ['../classgmx_1_1Simd4FBool.xhtml#ad64754cbb774d9cab1ed08c49a6e28bc', 1, 'gmx::Simd4FBool::Simd4FBool()']\n     ]],\n-    ['simd4float_835', ['simd4float', ['../classgmx_1_1Simd4Float.xhtml#a4d61d22b9955c0f6fa78804562704cbe', 1, 'gmx::Simd4Float::Simd4Float()'],\n-        ['../classgmx_1_1Simd4Float.xhtml', 1, 'gmx::Simd4Float']\n+    ['simd4float_835', ['simd4float', ['../classgmx_1_1Simd4Float.xhtml', 1, 'gmx::Simd4Float'],\n+        ['../classgmx_1_1Simd4Float.xhtml#a4d61d22b9955c0f6fa78804562704cbe', 1, 'gmx::Simd4Float::Simd4Float()']\n     ]],\n     ['simd4n_20implementation_836', ['SIMD4N implementation', ['../page_simd.xhtml#autotoc_md65', 1, '']]],\n     ['simd4real_837', ['Simd4Real', ['../namespacegmx.xhtml#a37686b0c2ec48a361d6c4473c1fdb70c', 1, 'gmx']]],\n     ['simd4setzerod_838', ['simd4SetZeroD', ['../group__module__simd.xhtml#gac88aa19e4c856c2333bf814c3521c488', 1, 'gmx']]],\n     ['simd4setzerof_839', ['simd4SetZeroF', ['../group__module__simd.xhtml#gafa583e5ea332a308e773ad9422e0d080', 1, 'gmx']]],\n     ['simd_5fenergy_5faccumulator_2ecpp_840', ['simd_energy_accumulator.cpp', ['../tests_2simd__energy__accumulator_8cpp.xhtml', 1, '']]],\n     ['simd_5fkernel_2eh_841', ['simd_kernel.h', ['../simd__kernel_8h.xhtml', 1, '']]],\n@@ -1904,27 +1904,27 @@\n     ['state_5fpropagator_5fdata_5fgpu_5fimpl_2ecpp_1207', ['state_propagator_data_gpu_impl.cpp', ['../state__propagator__data__gpu__impl_8cpp.xhtml', 1, '']]],\n     ['state_5fpropagator_5fdata_5fgpu_5fimpl_2eh_1208', ['state_propagator_data_gpu_impl.h', ['../state__propagator__data__gpu__impl_8h.xhtml', 1, '']]],\n     ['state_5fpropagator_5fdata_5fgpu_5fimpl_5fgpu_2ecpp_1209', ['state_propagator_data_gpu_impl_gpu.cpp', ['../state__propagator__data__gpu__impl__gpu_8cpp.xhtml', 1, '']]],\n     ['statechanged_1210', ['stateChanged', ['../classgmx_1_1StepWorkload.xhtml#a31ebf74bd43279d454fb29a1fe7e2a5f', 1, 'gmx::StepWorkload']]],\n     ['stateentry_1211', ['StateEntry', ['../state_8h.xhtml#a86497aee22e74e3dec677d0d49213656', 1, 'state.h']]],\n     ['stateglobal_5f_1212', ['stateGlobal_', ['../classgmx_1_1LegacySimulatorData.xhtml#ad474b5174e3f72368698f2b0afff1b8b', 1, 'gmx::LegacySimulatorData']]],\n     ['statepointer_1213', ['StatePointer', ['../classgmx_1_1HelpWriterContext_1_1Impl.xhtml#a1f191dc5d90a8004267a18cd00cf8c12', 1, 'gmx::HelpWriterContext::Impl']]],\n-    ['statepropagatordata_1214', ['statepropagatordata', ['../classgmx_1_1StatePropagatorData.xhtml', 1, 'gmx::StatePropagatorData'],\n-        ['../classgmx_1_1StatePropagatorData.xhtml#aeaba083022e06d68abaca844ae1ec8eb', 1, 'gmx::StatePropagatorData::StatePropagatorData()']\n+    ['statepropagatordata_1214', ['statepropagatordata', ['../classgmx_1_1StatePropagatorData.xhtml#aeaba083022e06d68abaca844ae1ec8eb', 1, 'gmx::StatePropagatorData::StatePropagatorData()'],\n+        ['../classgmx_1_1StatePropagatorData.xhtml', 1, 'gmx::StatePropagatorData']\n     ]],\n     ['statepropagatordata_20tt_1215', ['&lt;tt&gt;StatePropagatorData&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md35', 1, '']]],\n     ['statepropagatordata_2ecpp_1216', ['statepropagatordata.cpp', ['../statepropagatordata_8cpp.xhtml', 1, '']]],\n     ['statepropagatordata_2eh_1217', ['statepropagatordata.h', ['../statepropagatordata_8h.xhtml', 1, '']]],\n     ['statepropagatordata_3a_3aelement_20tt_1218', ['&lt;tt&gt;StatePropagatorData::Element&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md31', 1, '']]],\n     ['stateread_5f_1219', ['stateRead_', ['../structgmx_1_1ColvarsForceProviderState.xhtml#a1ec8a57f49d9817eb5b634b72609aef7', 1, 'gmx::ColvarsForceProviderState']]],\n     ['static_1220', ['Static', ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15a84a8921b25f505d0d2077aeb5db4bc16', 1, 'md_enums.h']]],\n-    ['static_5fextent_1221', ['static_extent', ['../classgmx_1_1extents.xhtml#a50111b7e65a0dd5cff8bb326e6b084e0', 1, 'gmx::extents::static_extent()'],\n-        ['../classgmx_1_1basic__mdspan.xhtml#aaf7f060e31aa227c06a0bc509420be66', 1, 'gmx::basic_mdspan::static_extent()'],\n-        ['../structgmx_1_1detail_1_1extents__analyse_3_010_01_4.xhtml#a4f2603dc7c635806f93485cbc441dcd5', 1, 'gmx::detail::extents_analyse&lt; 0 &gt;::static_extent()'],\n+    ['static_5fextent_1221', ['static_extent', ['../structgmx_1_1detail_1_1extents__analyse_3_010_01_4.xhtml#a4f2603dc7c635806f93485cbc441dcd5', 1, 'gmx::detail::extents_analyse&lt; 0 &gt;::static_extent()'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a55cdb81e2125645a0aeb35fb0c5387fc', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::static_extent()'],\n+        ['../classgmx_1_1extents.xhtml#a50111b7e65a0dd5cff8bb326e6b084e0', 1, 'gmx::extents::static_extent()'],\n+        ['../classgmx_1_1basic__mdspan.xhtml#aaf7f060e31aa227c06a0bc509420be66', 1, 'gmx::basic_mdspan::static_extent()'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#aea69002007675bb3b64984fad3d6748b', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::static_extent()']\n     ]],\n     ['staticaveragehistogram_1222', ['staticaveragehistogram', ['../classgmx_1_1anonymous__namespace_02histogram_8cpp_03_1_1StaticAverageHistogram.xhtml#a15f37a8c0d228aadff66df4b4de2207a', 1, 'gmx::anonymous_namespace{histogram.cpp}::StaticAverageHistogram::StaticAverageHistogram()'],\n         ['../classgmx_1_1anonymous__namespace_02histogram_8cpp_03_1_1StaticAverageHistogram.xhtml', 1, 'gmx::anonymous_namespace{histogram.cpp}::StaticAverageHistogram']\n     ]],\n     ['staticdataframeheaderchecker_1223', ['staticdataframeheaderchecker', ['../classgmx_1_1test_1_1anonymous__namespace_02mock__datamodule_8cpp_03_1_1StaticDataFrameHeaderChecker.xhtml', 1, 'gmx::test::anonymous_namespace{mock_datamodule.cpp}::StaticDataFrameHeaderChecker'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02mock__datamodule_8cpp_03_1_1StaticDataFrameHeaderChecker.xhtml#a63907b6f8f88fba789d0a57a5e5ebd41', 1, 'gmx::test::anonymous_namespace{mock_datamodule.cpp}::StaticDataFrameHeaderChecker::StaticDataFrameHeaderChecker()']\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -79,16 +79,16 @@\n         ['../classgmx_1_1TabulatedNormalDistribution.xhtml#abb053676a2ca8ed4f5a9908bc70f25a7', 1, 'gmx::TabulatedNormalDistribution::TabulatedNormalDistribution(result_type mean=0.0, result_type stddev=1.0)'],\n         ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ad090e6c16ba8f5b3a5408d8c07788dd3', 1, 'gmx::TabulatedNormalDistribution::TabulatedNormalDistribution(const param_type &amp;param)']\n     ]],\n     ['tabulatednormaldistribution_2ecpp_60', ['tabulatednormaldistribution.cpp', ['../tests_2tabulatednormaldistribution_8cpp.xhtml', 1, '']]],\n     ['tabulatednormaldistribution_2eh_61', ['tabulatednormaldistribution.h', ['../tabulatednormaldistribution_8h.xhtml', 1, '']]],\n     ['tabulatestructurefactors_62', ['tabulateStructureFactors', ['../ewald_8cpp.xhtml#aa3544b10e91b5c8dcfa5a114a5bc5a96', 1, 'ewald.cpp']]],\n     ['tag_63', ['tag', ['../group__module__modularsimulator.xhtml#ga049d88cc31c3267253efbde42699ad28', 1, 'gmx::PropagatorConnection']]],\n-    ['tan_64', ['tan', ['../namespacegmx.xhtml#a7063173231453ec737688c8d91aa0749', 1, 'gmx::tan(float x)'],\n-        ['../namespacegmx.xhtml#a45e727a4960ac7f8ba5149f9b251c520', 1, 'gmx::tan(double x)']\n+    ['tan_64', ['tan', ['../namespacegmx.xhtml#a45e727a4960ac7f8ba5149f9b251c520', 1, 'gmx::tan(double x)'],\n+        ['../namespacegmx.xhtml#a7063173231453ec737688c8d91aa0749', 1, 'gmx::tan(float x)']\n     ]],\n     ['tansingleaccuracy_65', ['tanSingleAccuracy', ['../namespacegmx.xhtml#a0f979f3defa4f725cfce2d7e93fc0d9e', 1, 'gmx']]],\n     ['target_66', ['target', ['../classgmx_1_1PointState.xhtml#a573114820ae0977c2eb9c666068351fd', 1, 'gmx::PointState::target()'],\n         ['../namespacegmx.xhtml#aed0429233bc357e419dafee7b8bd1344ac41a31890959544c6523af684561abe5', 1, 'gmx::Target'],\n         ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#ae261c5a75fa1c55507798631058dd98aac41a31890959544c6523af684561abe5', 1, 'anonymous_namespace{edsam.cpp}::Target']\n     ]],\n     ['targetbinsize_67', ['targetbinsize', ['../structmethoddata__insolidangle.xhtml#a17572bdc8c982bc6913a351b6b84ada6', 1, 'methoddata_insolidangle']]],\n@@ -108,20 +108,20 @@\n     ['tau_79', ['tau', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__edflood.xhtml#ae44c5c0ce2cb51e35e160b41feae02d0', 1, 'anonymous_namespace{edsam.cpp}::t_edflood::tau'],\n         ['../structt__UmbrellaWindow.xhtml#a4a7d5d96a6026b0db6cc024d590e4ba6', 1, 't_UmbrellaWindow::tau']\n     ]],\n     ['tausmooth_80', ['tausmooth', ['../structt__UmbrellaWindow.xhtml#adca5c639bf77415ff74cdd36259747ac', 1, 't_UmbrellaWindow']]],\n     ['taut_81', ['tauT', ['../structgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTestParameters.xhtml#ad2429598fcf2120680f2c9cbb242a227', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters']]],\n     ['tbin_82', ['tbin', ['../structmethoddata__insolidangle.xhtml#a8e051ab9e3b8939ceaf35aea4b20c980', 1, 'methoddata_insolidangle']]],\n     ['tbinsize_83', ['tbinsize', ['../structmethoddata__insolidangle.xhtml#a37c045688253e214ec4f38582c565d5a', 1, 'methoddata_insolidangle']]],\n-    ['teardown_84', ['teardown', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a3130fd41d2ff2414f0fc6089b586d5bb', 1, 'gmx::PmeLoadBalanceHelper::teardown()'],\n-        ['../classgmx_1_1EnergyData.xhtml#ab37d08455a3f6c93bf73d3b6983f99af', 1, 'gmx::EnergyData::teardown()']\n+    ['teardown_84', ['teardown', ['../classgmx_1_1EnergyData.xhtml#ab37d08455a3f6c93bf73d3b6983f99af', 1, 'gmx::EnergyData::teardown()'],\n+        ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a3130fd41d2ff2414f0fc6089b586d5bb', 1, 'gmx::PmeLoadBalanceHelper::teardown()']\n     ]],\n-    ['teardowntestsuite_85', ['teardowntestsuite', ['../classgmx_1_1test_1_1MdrunTestFixtureBase.xhtml#aeb3adf1e5777af74e64006f41c7ed0fd', 1, 'gmx::test::MdrunTestFixtureBase::TearDownTestSuite()'],\n-        ['../classgmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03_1_1PmeTest.xhtml#a96d5a35582f00b8736e036fc362034d0', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest::TearDownTestSuite()'],\n-        ['../classanonymous__namespace_02domain__decomposition_8cpp_03_1_1DomDecSpecialCasesTest.xhtml#a1f99d295d63d1aa9dfd1dde3aa1300ad', 1, 'anonymous_namespace{domain_decomposition.cpp}::DomDecSpecialCasesTest::TearDownTestSuite()']\n+    ['teardowntestsuite_85', ['teardowntestsuite', ['../classanonymous__namespace_02domain__decomposition_8cpp_03_1_1DomDecSpecialCasesTest.xhtml#a1f99d295d63d1aa9dfd1dde3aa1300ad', 1, 'anonymous_namespace{domain_decomposition.cpp}::DomDecSpecialCasesTest::TearDownTestSuite()'],\n+        ['../classgmx_1_1test_1_1MdrunTestFixtureBase.xhtml#aeb3adf1e5777af74e64006f41c7ed0fd', 1, 'gmx::test::MdrunTestFixtureBase::TearDownTestSuite()'],\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02pmetest_8cpp_03_1_1PmeTest.xhtml#a96d5a35582f00b8736e036fc362034d0', 1, 'gmx::test::anonymous_namespace{pmetest.cpp}::PmeTest::TearDownTestSuite()']\n     ]],\n     ['temp_86', ['temp', ['../structgmx__repl__ex.xhtml#af483c0a60b6afdfe8c804ca5b1d58e55', 1, 'gmx_repl_ex']]],\n     ['temperature_87', ['temperature', ['../structgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTestParameters.xhtml#a6908a83b062ae61a4f13f574c981f92f', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters']]],\n     ['temperature_20manager_88', ['Reference temperature manager', ['../page_modularsimulator.xhtml#autotoc_md48', 1, '']]],\n     ['temperature_5f_89', ['temperature_', ['../classgmx_1_1test_1_1anonymous__namespace_02updategroups_8cpp_03_1_1UpdateGroupsTest.xhtml#ad366014cc4d8bfa1f77efdd48f1f7761', 1, 'gmx::test::anonymous_namespace{updategroups.cpp}::UpdateGroupsTest']]],\n     ['temperaturecoupling_90', ['TemperatureCoupling', ['../md__enums_8h.xhtml#a3ee2807ffc53ebc379b7a3ecb3818408', 1, 'md_enums.h']]],\n     ['temperaturecouplingdata_91', ['TemperatureCouplingData', ['../structgmx_1_1TemperatureCouplingData.xhtml', 1, 'gmx']]],\n@@ -159,34 +159,34 @@\n     ['testagainstreferencedata_121', ['testagainstreferencedata', ['../classgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTest.xhtml#a1607e65031b20e6649c7c2711096c446', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTest::testAgainstReferenceData()'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02leapfrog_8cpp_03_1_1LeapFrogTest.xhtml#ad1aa6ce337261adfb963124ba3802efb', 1, 'gmx::test::anonymous_namespace{leapfrog.cpp}::LeapFrogTest::testAgainstReferenceData()']\n     ]],\n     ['testarrayrefs_2eh_122', ['testarrayrefs.h', ['../testarrayrefs_8h.xhtml', 1, '']]],\n     ['testasserts_2ecpp_123', ['testasserts.cpp', ['../testasserts_8cpp.xhtml', 1, '']]],\n     ['testasserts_2eh_124', ['testasserts.h', ['../testasserts_8h.xhtml', 1, '']]],\n     ['testasserts_5ftests_2ecpp_125', ['testasserts_tests.cpp', ['../testasserts__tests_8cpp.xhtml', 1, '']]],\n-    ['testbits_126', ['testbits', ['../namespacegmx.xhtml#ae58ba299df96ee6c45043e646a1d01dc', 1, 'gmx::testBits(double a)'],\n-        ['../namespacegmx.xhtml#af6a3628d9b9ddc7900590f963be7bbf0', 1, 'gmx::testBits(float a)'],\n+    ['testbits_126', ['testbits', ['../group__module__simd.xhtml#ga5c87788b1cb09e4e6bfdf94f83f1ec76', 1, 'gmx::testBits(SimdDouble a)'],\n         ['../group__module__simd.xhtml#ga47337ed69b038e337974eb220e9455bd', 1, 'gmx::testBits(SimdFInt32 a)'],\n-        ['../namespacegmx.xhtml#ae2a03b61db6a3ed3e8c2d5e1b3acc9a8', 1, 'gmx::testBits(std::int32_t a)'],\n+        ['../namespacegmx.xhtml#af6a3628d9b9ddc7900590f963be7bbf0', 1, 'gmx::testBits(float a)'],\n+        ['../namespacegmx.xhtml#ae58ba299df96ee6c45043e646a1d01dc', 1, 'gmx::testBits(double a)'],\n         ['../group__module__simd.xhtml#gaf2ea05053a363baccc4a01d7d0bc137d', 1, 'gmx::testBits(SimdDInt32 a)'],\n-        ['../group__module__simd.xhtml#ga5c87788b1cb09e4e6bfdf94f83f1ec76', 1, 'gmx::testBits(SimdDouble a)'],\n+        ['../namespacegmx.xhtml#ae2a03b61db6a3ed3e8c2d5e1b3acc9a8', 1, 'gmx::testBits(std::int32_t a)'],\n         ['../group__module__simd.xhtml#ga10dfe150e697592814f1d3edd5c3c87e', 1, 'gmx::testBits(SimdFloat a)']\n     ]],\n     ['testbody_127', ['testbody', ['../classgmx_1_1test_1_1anonymous__namespace_02pmegathertest_8cpp_03_1_1GatherTestBody.xhtml#a8d2770417e5c57257e5f998e68306c3f', 1, 'gmx::test::anonymous_namespace{pmegathertest.cpp}::GatherTestBody::TestBody()'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02pmesolvetest_8cpp_03_1_1SolveTestBody.xhtml#a73732f663d465e8c6235e8d52fc0d321', 1, 'gmx::test::anonymous_namespace{pmesolvetest.cpp}::SolveTestBody::TestBody()'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02pmesplinespreadtest_8cpp_03_1_1SplineAndSpreadTestBody.xhtml#a9b56a90ddb0e79ad3a306a61fc56700b', 1, 'gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::SplineAndSpreadTestBody::TestBody()']\n     ]],\n     ['testcallbackfunc_128', ['TestCallbackFunc', ['../namespacegmx_1_1test_1_1anonymous__namespace_02textreader_8cpp_03.xhtml#a3d2c1cd223dc48fe16d95d95fba57e33', 1, 'gmx::test::anonymous_namespace{textreader.cpp}']]],\n     ['testdata_129', ['testData', ['../classgmx_1_1test_1_1XvgMatch.xhtml#adac4856fbdb4583cbe532297c59e5368', 1, 'gmx::test::XvgMatch']]],\n     ['testdevice_130', ['testdevice', ['../classgmx_1_1test_1_1TestDevice.xhtml', 1, 'gmx::test::TestDevice'],\n         ['../classgmx_1_1test_1_1TestDevice.xhtml#a32825b77885bb4482851ecfa1a8f5c25', 1, 'gmx::test::TestDevice::TestDevice()']\n     ]],\n-    ['testenum_131', ['testenum', ['../namespacegmx_1_1test_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03.xhtml#a8cb42376f7b6bb894e8da947f7c4a8d6', 1, 'gmx::test::anonymous_namespace{cmdlinehelpwriter.cpp}::TestEnum'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02optionsassigner_8cpp_03.xhtml#ade5b1d6d438c6354dc5a3034be602cef', 1, 'gmx::test::anonymous_namespace{optionsassigner.cpp}::TestEnum'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02treesupport_8cpp_03.xhtml#a1a5203293db72857fea5d4d07096a1ab', 1, 'gmx::test::anonymous_namespace{treesupport.cpp}::TestEnum']\n+    ['testenum_131', ['testenum', ['../namespacegmx_1_1test_1_1anonymous__namespace_02treesupport_8cpp_03.xhtml#a1a5203293db72857fea5d4d07096a1ab', 1, 'gmx::test::anonymous_namespace{treesupport.cpp}::TestEnum'],\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03.xhtml#a8cb42376f7b6bb894e8da947f7c4a8d6', 1, 'gmx::test::anonymous_namespace{cmdlinehelpwriter.cpp}::TestEnum'],\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02optionsassigner_8cpp_03.xhtml#ade5b1d6d438c6354dc5a3034be602cef', 1, 'gmx::test::anonymous_namespace{optionsassigner.cpp}::TestEnum']\n     ]],\n     ['testenums_132', ['TestEnums', ['../namespacegmx_1_1test.xhtml#a7c58468ea2cf02368441be884454b7b4', 1, 'gmx::test']]],\n     ['testexception_133', ['testexception', ['../classgmx_1_1test_1_1TestException.xhtml', 1, 'gmx::test::TestException'],\n         ['../classgmx_1_1test_1_1TestException.xhtml#aa3c79e2b74a27e68018a7e990d7bc7fc', 1, 'gmx::test::TestException::TestException(const std::string &amp;reason)'],\n         ['../classgmx_1_1test_1_1TestException.xhtml#a3616ce31284d79ab68e8faa65330d5ec', 1, 'gmx::test::TestException::TestException(const GromacsException &amp;base)']\n     ]],\n     ['testexceptions_2eh_134', ['testexceptions.h', ['../testexceptions_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -29,48 +29,48 @@\n     ['uniformrealdistribution_2eh_15', ['uniformrealdistribution.h', ['../uniformrealdistribution_8h.xhtml', 1, '']]],\n     ['uniformrealdistribution_3c_20real_20_3e_16', ['UniformRealDistribution&lt; real &gt;', ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx']]],\n     ['unionfind_2ecpp_17', ['unionfind.cpp', ['../unionfind_8cpp.xhtml', 1, '']]],\n     ['unionfind_2eh_18', ['unionfind.h', ['../unionfind_8h.xhtml', 1, '']]],\n     ['unionfinder_19', ['UnionFinder', ['../classgmx_1_1UnionFinder.xhtml', 1, 'gmx']]],\n     ['unique_5fcptr_20', ['unique_cptr', ['../namespacegmx.xhtml#a89d1da25b1e1f9331f1fe99b15072eac', 1, 'gmx']]],\n     ['unique_5fcptr_2eh_21', ['unique_cptr.h', ['../unique__cptr_8h.xhtml', 1, '']]],\n-    ['uniquedeviceid_22', ['uniquedeviceid', ['../device__management__common_8cpp.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp'],\n-        ['../device__management_8h.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp']\n+    ['uniquedeviceid_22', ['uniquedeviceid', ['../device__management_8h.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp'],\n+        ['../device__management__common_8cpp.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp']\n     ]],\n     ['unit_23', ['unit', ['../classgmx_1_1EnergyTerm.xhtml#aef5ad0000c2fbbc74c57f0b5e0ddb409', 1, 'gmx::EnergyTerm::unit()'],\n         ['../structUmbrellaOptions.xhtml#ae5d2dca38270c084eb3386aa26b9b959', 1, 'UmbrellaOptions::unit']\n     ]],\n-    ['unitcellinfo_24', ['unitcellinfo', ['../structUnitCellInfo.xhtml', 1, 'UnitCellInfo'],\n-        ['../structUnitCellInfo.xhtml#a9d3636ef8212130c876d2cbd16dcc69a', 1, 'UnitCellInfo::UnitCellInfo()']\n+    ['unitcellinfo_24', ['unitcellinfo', ['../structUnitCellInfo.xhtml#a9d3636ef8212130c876d2cbd16dcc69a', 1, 'UnitCellInfo::UnitCellInfo()'],\n+        ['../structUnitCellInfo.xhtml', 1, 'UnitCellInfo']\n     ]],\n     ['unitcelliscompact_25', ['UnitCellIsCompact', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9ad4d785ddf0c77e7b697efd2b5ec376e1', 1, 'gmx']]],\n     ['unitcellisrectangular_26', ['UnitCellIsRectangular', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a8e7bda81ce54b8cf90c3b856c83e7d9f', 1, 'gmx']]],\n     ['unitcellistriclinic_27', ['UnitCellIsTriclinic', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a99285c8187fb87e756f127435045dc3f', 1, 'gmx']]],\n     ['unitcelltype_28', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_29', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n     ['unittest_5fmain_2ecpp_30', ['unittest_main.cpp', ['../unittest__main_8cpp.xhtml', 1, '']]],\n     ['unitvector_31', ['unitvector', ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector()'],\n         ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()']\n     ]],\n     ['unity_32', ['Unity', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099fa82dd98f1d663acc318e6a8ec4ab69b7a', 1, 'gmx']]],\n-    ['unknown_33', ['unknown', ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown'],\n+    ['unknown_33', ['unknown', ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::CpuInfo::Unknown'],\n         ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508ca88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'Unknown:&#160;device_information.h'],\n-        ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::CpuInfo::Unknown']\n+        ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown']\n     ]],\n     ['unpackandaddhalointernal_34', ['UnpackAndAddHaloInternal', ['../classUnpackAndAddHaloInternal.xhtml', 1, '']]],\n     ['unpackhaloexternal_35', ['UnpackHaloExternal', ['../classUnpackHaloExternal.xhtml', 1, '']]],\n     ['unpackrecvbufkernel_36', ['unpackRecvBufKernel', ['../namespacegmx.xhtml#a704128fa72f8ce7dcf08d0063a166036', 1, 'gmx']]],\n     ['unpaddedarrayref_37', ['unpaddedArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ad5b878ca7749f5b8f52e006269fbfc2f', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unpaddedconstarrayref_38', ['unpaddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a2c3f73497c6bc71264ae1af84b6522ae', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unset_39', ['Unset', ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cac9f88e098f6fe4e4e112eeb05ccb9671', 1, 'md_enums.h']]],\n     ['unsignedchartostring_40', ['unsignedCharToString', ['../group__module__utility.xhtml#ga78b462191d8dbe81225e12d64cdd55a3', 1, 'gmx']]],\n-    ['update_41', ['update', ['../classgmx_1_1Update.xhtml#afcb4065ad13efba2d3aa9b5225125e6f', 1, 'gmx::Update::Update()'],\n+    ['update_41', ['update', ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update'],\n+        ['../classgmx_1_1Update.xhtml#afcb4065ad13efba2d3aa9b5225125e6f', 1, 'gmx::Update::Update()'],\n         ['../structgmx__ana__selmethod__t.xhtml#a18d9fe0bff35116b4e12cc63c381fb47', 1, 'gmx_ana_selmethod_t::update'],\n-        ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()'],\n-        ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update']\n+        ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()']\n     ]],\n     ['update_5fconstrain_5fgpu_2eh_42', ['update_constrain_gpu.h', ['../update__constrain__gpu_8h.xhtml', 1, '']]],\n     ['update_5fconstrain_5fgpu_5fimpl_2ecpp_43', ['update_constrain_gpu_impl.cpp', ['../update__constrain__gpu__impl_8cpp.xhtml', 1, '']]],\n     ['update_5fconstrain_5fgpu_5fimpl_2eh_44', ['update_constrain_gpu_impl.h', ['../update__constrain__gpu__impl_8h.xhtml', 1, '']]],\n     ['update_5fconstrain_5fgpu_5fimpl_5fstubs_2ecpp_45', ['update_constrain_gpu_impl_stubs.cpp', ['../update__constrain__gpu__impl__stubs_8cpp.xhtml', 1, '']]],\n     ['update_5fconstrain_5fgpu_5finternal_2eh_46', ['update_constrain_gpu_internal.h', ['../update__constrain__gpu__internal_8h.xhtml', 1, '']]],\n     ['update_5fconstrain_5fgpu_5finternal_5fsycl_2ecpp_47', ['update_constrain_gpu_internal_sycl.cpp', ['../update__constrain__gpu__internal__sycl_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -342,26 +342,26 @@\n     ['addwithcoupled_212', ['addWithCoupled', ['../namespacegmx.xhtml#a71dab7360755dfa64ab2b9ecae2b50a7', 1, 'gmx']]],\n     ['adjustatominformation_213', ['adjustAtomInformation', ['../namespacegmx.xhtml#a275fd149ededf268fc7ffaf9c7fd9a8b', 1, 'gmx']]],\n     ['adjustfromsettings_214', ['adjustFromSettings', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#a5471ae98e9950ceb6cf2ece11ba5c130', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['adjustinputrecbasedonmodules_215', ['adjustInputrecBasedOnModules', ['../classgmx_1_1MDModules.xhtml#a17a16c8f62f862f88627b20f280f740d', 1, 'gmx::MDModules']]],\n     ['adjustkeyvaluetreefromoptions_216', ['adjustKeyValueTreeFromOptions', ['../group__module__options.xhtml#ga4ff33b942520181157f23d0204fde157', 1, 'gmx']]],\n     ['adl_5fp_217', ['ADL_P', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a60e8f3442024c1d700d929d41071f9fa', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n     ['advancepointinsubgrid_218', ['advancePointInSubgrid', ['../namespacegmx.xhtml#a796a4671abfe96e1c695934237ba1af1', 1, 'gmx']]],\n-    ['affinetransformation_219', ['affinetransformation', ['../classgmx_1_1AffineTransformation.xhtml', 1, 'gmx::AffineTransformation'],\n-        ['../classgmx_1_1AffineTransformation.xhtml#a9e6d3f723c477ac3d32c10fda33d0b47', 1, 'gmx::AffineTransformation::AffineTransformation()']\n+    ['affinetransformation_219', ['affinetransformation', ['../classgmx_1_1AffineTransformation.xhtml#a9e6d3f723c477ac3d32c10fda33d0b47', 1, 'gmx::AffineTransformation::AffineTransformation()'],\n+        ['../classgmx_1_1AffineTransformation.xhtml', 1, 'gmx::AffineTransformation']\n     ]],\n     ['after_20compilation_220', ['Element tree after compilation', ['../page_module_selection_compiler.xhtml#selcompiler_tree', 1, '']]],\n-    ['afterfrom_221', ['afterfrom', ['../classgmx_1_1KeyValueTreeTransformRuleBuilder_1_1AfterFrom.xhtml', 1, 'gmx::KeyValueTreeTransformRuleBuilder::AfterFrom&lt; FromType &gt;'],\n-        ['../classgmx_1_1KeyValueTreeTransformRuleBuilder_1_1AfterFrom.xhtml#a2ab97b38dd624b519ab260f18c65f6e6', 1, 'gmx::KeyValueTreeTransformRuleBuilder::AfterFrom::AfterFrom()']\n+    ['afterfrom_221', ['afterfrom', ['../classgmx_1_1KeyValueTreeTransformRuleBuilder_1_1AfterFrom.xhtml#a2ab97b38dd624b519ab260f18c65f6e6', 1, 'gmx::KeyValueTreeTransformRuleBuilder::AfterFrom::AfterFrom()'],\n+        ['../classgmx_1_1KeyValueTreeTransformRuleBuilder_1_1AfterFrom.xhtml', 1, 'gmx::KeyValueTreeTransformRuleBuilder::AfterFrom&lt; FromType &gt;']\n     ]],\n     ['against_20tt_20libgromacs_20tt_222', ['Linking against &lt;tt&gt;libgromacs&lt;/tt&gt;', ['../page_usinglibrary.xhtml#autotoc_md103', 1, '']]],\n-    ['ai_223', ['ai', ['../structMoleculePatch.xhtml#a961bb46d8143f2398991f6575fd74cca', 1, 'MoleculePatch::ai()'],\n-        ['../classVsiteBondedInteraction.xhtml#a757d62f6874409547ef7004bb96e0504', 1, 'VsiteBondedInteraction::ai()'],\n-        ['../classInteractionOfType.xhtml#aea9e0f61528c3026b34a0c304d4a2422', 1, 'InteractionOfType::ai()'],\n-        ['../structBondedInteraction.xhtml#a39089dc69980e84281a0dc1069a4cd12', 1, 'BondedInteraction::ai() const']\n+    ['ai_223', ['ai', ['../classInteractionOfType.xhtml#aea9e0f61528c3026b34a0c304d4a2422', 1, 'InteractionOfType::ai()'],\n+        ['../structBondedInteraction.xhtml#a39089dc69980e84281a0dc1069a4cd12', 1, 'BondedInteraction::ai()'],\n+        ['../structMoleculePatch.xhtml#a961bb46d8143f2398991f6575fd74cca', 1, 'MoleculePatch::ai()'],\n+        ['../classVsiteBondedInteraction.xhtml#a757d62f6874409547ef7004bb96e0504', 1, 'VsiteBondedInteraction::ai()']\n     ]],\n     ['aj_224', ['aj', ['../structBondedInteraction.xhtml#a4bfdecec47ae9a83646e84c7dc80d23b', 1, 'BondedInteraction::aj()'],\n         ['../structMoleculePatch.xhtml#a58d5316b7fb00498ea1e51256b043b1e', 1, 'MoleculePatch::aj()']\n     ]],\n     ['ak_225', ['ak', ['../structBondedInteraction.xhtml#a4ec2b156b8544115dfe2848a5dc16b1e', 1, 'BondedInteraction::ak()'],\n         ['../structMoleculePatch.xhtml#aca196338c459bf579c7b9f77c567f17a', 1, 'MoleculePatch::ak()']\n     ]],\n@@ -888,41 +888,41 @@\n     ['arrayrefwithpadding_2eh_516', ['arrayrefwithpadding.h', ['../arrayrefwithpadding_8h.xhtml', 1, '']]],\n     ['arrayrefwithpadding_3c_20gmx_3a_3abasicvector_20_3e_517', ['ArrayRefWithPadding&lt; gmx::BasicVector &gt;', ['../classgmx_1_1ArrayRefWithPadding.xhtml', 1, 'gmx']]],\n     ['arraysize_2eh_518', ['arraysize.h', ['../arraysize_8h.xhtml', 1, '']]],\n     ['arraytype_519', ['arrayType', ['../structgmx_1_1PlanSetupData.xhtml#aa6392db2e4f96a2530d516427eae240d', 1, 'gmx::PlanSetupData']]],\n     ['arrivewaitbarrierval_5f_520', ['arriveWaitBarrierVal_', ['../structgmx_1_1nvshmemHaloExchangeOps.xhtml#ac73ed126de2b4132ff822c8fb68be92c', 1, 'gmx::nvshmemHaloExchangeOps']]],\n     ['as_521', ['as', ['../structt__methoddata__same.xhtml#aab39d3304710c617c29aab8e2cbfbc5a', 1, 't_methoddata_same']]],\n     ['as_20a_20library_522', ['Using GROMACS as a library', ['../page_usinglibrary.xhtml', 1, 'index']]],\n-    ['as_5fdvec_5farray_523', ['as_dvec_array', ['../namespacegmx.xhtml#ac635996b6d78ada40405ba91310641f7', 1, 'gmx::as_dvec_array(DVec *x)'],\n-        ['../namespacegmx.xhtml#ab435e743af1b412558e429022580056b', 1, 'gmx::as_dvec_array(const DVec *x)']\n+    ['as_5fdvec_5farray_523', ['as_dvec_array', ['../namespacegmx.xhtml#ab435e743af1b412558e429022580056b', 1, 'gmx::as_dvec_array(const DVec *x)'],\n+        ['../namespacegmx.xhtml#ac635996b6d78ada40405ba91310641f7', 1, 'gmx::as_dvec_array(DVec *x)']\n     ]],\n-    ['as_5fivec_5farray_524', ['as_ivec_array', ['../namespacegmx.xhtml#a169687020d64e828f0120aa553c4240b', 1, 'gmx::as_ivec_array(const IVec *x)'],\n-        ['../namespacegmx.xhtml#ab7d47f82fdb0dceddb28d228ecc926f2', 1, 'gmx::as_ivec_array(IVec *x)']\n+    ['as_5fivec_5farray_524', ['as_ivec_array', ['../namespacegmx.xhtml#ab7d47f82fdb0dceddb28d228ecc926f2', 1, 'gmx::as_ivec_array(IVec *x)'],\n+        ['../namespacegmx.xhtml#a169687020d64e828f0120aa553c4240b', 1, 'gmx::as_ivec_array(const IVec *x)']\n     ]],\n-    ['as_5frvec_5farray_525', ['as_rvec_array', ['../namespacegmx.xhtml#aede03a44c13df763bdd1d8d9d0887dda', 1, 'gmx::as_rvec_array(const RVec *x)'],\n-        ['../namespacegmx.xhtml#ac36e90ef229d4fc88ba16409aef0b759', 1, 'gmx::as_rvec_array(RVec *x)']\n+    ['as_5frvec_5farray_525', ['as_rvec_array', ['../namespacegmx.xhtml#ac36e90ef229d4fc88ba16409aef0b759', 1, 'gmx::as_rvec_array(RVec *x)'],\n+        ['../namespacegmx.xhtml#aede03a44c13df763bdd1d8d9d0887dda', 1, 'gmx::as_rvec_array(const RVec *x)']\n     ]],\n     ['as_5fs_5fsorted_526', ['as_s_sorted', ['../structt__methoddata__same.xhtml#a8e60d150d29d86b285a3e90c249f6b8e', 1, 't_methoddata_same']]],\n     ['as_5fvec_527', ['as_vec', ['../classgmx_1_1BasicVector.xhtml#a751f212c63603b0c310ea931453c3531', 1, 'gmx::BasicVector::as_vec()'],\n         ['../classgmx_1_1BasicVector.xhtml#a096b39d916263bc829f56ac184f176a9', 1, 'gmx::BasicVector::as_vec() const']\n     ]],\n     ['as_5fvec_5farray_528', ['as_vec_array', ['../namespacegmx.xhtml#af1a995d2d5d21983a662ab3e79e2b2e3', 1, 'gmx::as_vec_array(const BasicVector&lt; ValueType &gt; *x)'],\n         ['../namespacegmx.xhtml#adbccce10168efa3d28a2f7d3b644df37', 1, 'gmx::as_vec_array(BasicVector&lt; ValueType &gt; *x)']\n     ]],\n     ['asabsolute_529', ['asAbsolute', ['../classgmx_1_1test_1_1FloatingPointDifference.xhtml#a1256c4a2e308cddc83601e72d07ea9ff', 1, 'gmx::test::FloatingPointDifference']]],\n     ['asconstview_530', ['asConstView', ['../classgmx_1_1MultiDimArray.xhtml#a5dd95fca66f9da9723365d7bbe9df05a', 1, 'gmx::MultiDimArray']]],\n     ['asfloat3_531', ['asfloat3', ['../typecasts__cuda__hip_8h.xhtml#a907e7d1b77f6ed53ba9aee03de2e104e', 1, 'asFloat3(gmx::RVec *in):&#160;typecasts_cuda_hip.h'],\n         ['../typecasts__cuda__hip_8h.xhtml#a5b3b274c6d609569eeb80fdcbe90793b', 1, 'asFloat3(const gmx::RVec *in):&#160;typecasts_cuda_hip.h']\n     ]],\n-    ['asfloat3pointer_532', ['asfloat3pointer', ['../typecasts__cuda__hip_8h.xhtml#a11a331229d7c98f7483574dec7798425', 1, 'asFloat3Pointer(gmx::RVec **in):&#160;typecasts_cuda_hip.h'],\n-        ['../typecasts__cuda__hip_8h.xhtml#ab65b218556c9108ce68d7332f0a801f8', 1, 'asFloat3Pointer(const gmx::RVec *const *in):&#160;typecasts_cuda_hip.h']\n+    ['asfloat3pointer_532', ['asfloat3pointer', ['../typecasts__cuda__hip_8h.xhtml#ab65b218556c9108ce68d7332f0a801f8', 1, 'asFloat3Pointer(const gmx::RVec *const *in):&#160;typecasts_cuda_hip.h'],\n+        ['../typecasts__cuda__hip_8h.xhtml#a11a331229d7c98f7483574dec7798425', 1, 'asFloat3Pointer(gmx::RVec **in):&#160;typecasts_cuda_hip.h']\n     ]],\n-    ['asgenericfloat3pointer_533', ['asgenericfloat3pointer', ['../namespacegmx.xhtml#a61d1fa4d0073e932d5ea53fd4ec968e9', 1, 'gmx::asGenericFloat3Pointer(C &amp;in)'],\n-        ['../namespacegmx.xhtml#a7cf8c0c79ed50d630c676a108cff651e', 1, 'gmx::asGenericFloat3Pointer(T *in)'],\n+    ['asgenericfloat3pointer_533', ['asgenericfloat3pointer', ['../namespacegmx.xhtml#a7cf8c0c79ed50d630c676a108cff651e', 1, 'gmx::asGenericFloat3Pointer(T *in)'],\n         ['../namespacegmx.xhtml#a790f4239e154b040ddbcef4a1d3122ae', 1, 'gmx::asGenericFloat3Pointer(const T *in)'],\n+        ['../namespacegmx.xhtml#a61d1fa4d0073e932d5ea53fd4ec968e9', 1, 'gmx::asGenericFloat3Pointer(C &amp;in)'],\n         ['../namespacegmx.xhtml#a1b0b8846fcb8364fafd83a5592f12108', 1, 'gmx::asGenericFloat3Pointer(const C &amp;in)']\n     ]],\n     ['asin_534', ['asin', ['../namespacegmx.xhtml#a3d5120df9c0bf437e64c806a7cfdad02', 1, 'gmx::asin(float x)'],\n         ['../namespacegmx.xhtml#ab02c7d47595f11074fbfedff40145544', 1, 'gmx::asin(double x)']\n     ]],\n     ['asinsingleaccuracy_535', ['asinSingleAccuracy', ['../namespacegmx.xhtml#a98465e562d7b1b24755bc693db04c8f5', 1, 'gmx']]],\n     ['asize_536', ['asize', ['../group__module__utility.xhtml#ga2f549c8a29e4b43b862a96314a66a5fa', 1, 'arraysize.h']]],\n@@ -951,159 +951,159 @@\n     ['assignpositionrestraintsforatom_557', ['assignPositionRestraintsForAtom', ['../localtopology_8cpp.xhtml#afb4fa529774cf67304776e604b9879fd', 1, 'localtopology.cpp']]],\n     ['assignvsitestosingletask_558', ['assignVsitesToSingleTask', ['../namespacegmx.xhtml#a1eee8bc37f540f65a107fa21a102c09d', 1, 'gmx']]],\n     ['assignvsitestothread_559', ['assignVsitesToThread', ['../namespacegmx.xhtml#a8ff9857961193a9bd5fbd1fb027ba44f', 1, 'gmx']]],\n     ['associativity_560', ['associativity', ['../structgmx_1_1HardwareTopology_1_1Cache.xhtml#ad5a56cc20c9ca27eb6276374e411a430', 1, 'gmx::HardwareTopology::Cache']]],\n     ['asulps_561', ['asUlps', ['../classgmx_1_1test_1_1FloatingPointDifference.xhtml#a64f20cf7b256513aa8bdda6c142f7dae', 1, 'gmx::test::FloatingPointDifference']]],\n     ['asview_562', ['asView', ['../classgmx_1_1MultiDimArray.xhtml#a23a1fb8f2c0045928c48ccb88ef85632', 1, 'gmx::MultiDimArray']]],\n     ['async_563', ['Async', ['../gpu__utils_8h.xhtml#aed6d99acc2a7b8495f08fa2d9d2277eba24aa4117da86c41684ad25742832dfa6', 1, 'gpu_utils.h']]],\n-    ['at_564', ['at', ['../classgmx_1_1ListOfLists.xhtml#a49d32c6ff1a5eca209be358475e05713', 1, 'gmx::ListOfLists::at()'],\n-        ['../classgmx_1_1ArrayRef.xhtml#adc8ea4073c94eb246b0027c4bd7d01da', 1, 'gmx::ArrayRef::at()'],\n-        ['../classStringTable.xhtml#adcc938ba043e0c531773e64d87d00827', 1, 'StringTable::at()'],\n-        ['../classgmx_1_1FixedCapacityVector.xhtml#a438cb41d4f31da753c8d7d36256c0c41', 1, 'gmx::FixedCapacityVector::at(size_type n)'],\n+    ['at_564', ['at', ['../classgmx_1_1EnergyFrame.xhtml#a73ace4971cafa88adaceea02aea4646e', 1, 'gmx::EnergyFrame::at()'],\n+        ['../classgmx__ga2la__t.xhtml#ad8f304cbe18bbec9715f837fd1e2aa93', 1, 'gmx_ga2la_t::at()'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a7a5d2f452d79950647ced1d370628f76', 1, 'gmx::FixedCapacityVector::at(size_type n) const'],\n-        ['../classgmx_1_1EnergyFrame.xhtml#a73ace4971cafa88adaceea02aea4646e', 1, 'gmx::EnergyFrame::at()'],\n-        ['../classgmx__ga2la__t.xhtml#ad8f304cbe18bbec9715f837fd1e2aa93', 1, 'gmx_ga2la_t::at()']\n+        ['../classgmx_1_1FixedCapacityVector.xhtml#a438cb41d4f31da753c8d7d36256c0c41', 1, 'gmx::FixedCapacityVector::at(size_type n)'],\n+        ['../classStringTable.xhtml#adcc938ba043e0c531773e64d87d00827', 1, 'StringTable::at()'],\n+        ['../classgmx_1_1ArrayRef.xhtml#adc8ea4073c94eb246b0027c4bd7d01da', 1, 'gmx::ArrayRef::at()'],\n+        ['../classgmx_1_1ListOfLists.xhtml#a49d32c6ff1a5eca209be358475e05713', 1, 'gmx::ListOfLists::at()']\n     ]],\n     ['at_5fend_565', ['at_end', ['../structgmx__domdec__specat__comm__t.xhtml#acfc1ad88275feb891d5eaf41e6fe31b6', 1, 'gmx_domdec_specat_comm_t']]],\n     ['at_5fstart_566', ['at_start', ['../structgmx__domdec__specat__comm__t.xhtml#a55cac48fb79ab129c6e54ecd71b10d66', 1, 'gmx_domdec_specat_comm_t']]],\n     ['atan_567', ['atan', ['../namespacegmx.xhtml#a1afbc2ada56f899a8d3dc5c61530e28b', 1, 'gmx::atan(float x)'],\n         ['../namespacegmx.xhtml#af15e6f3962e035d69013bd91621fd9f8', 1, 'gmx::atan(double x)']\n     ]],\n-    ['atan2_568', ['atan2', ['../namespacegmx.xhtml#aed8336a58abddcdb6afa7835138ecf46', 1, 'gmx::atan2(float y, float x)'],\n-        ['../namespacegmx.xhtml#aa70a1aa5e9c161a2770d0f9b7eca1805', 1, 'gmx::atan2(double y, double x)']\n+    ['atan2_568', ['atan2', ['../namespacegmx.xhtml#aa70a1aa5e9c161a2770d0f9b7eca1805', 1, 'gmx::atan2(double y, double x)'],\n+        ['../namespacegmx.xhtml#aed8336a58abddcdb6afa7835138ecf46', 1, 'gmx::atan2(float y, float x)']\n     ]],\n     ['atan2singleaccuracy_569', ['atan2SingleAccuracy', ['../namespacegmx.xhtml#a2552094c1be29e087e1e85ae02fb0c7a', 1, 'gmx']]],\n     ['atansingleaccuracy_570', ['atanSingleAccuracy', ['../namespacegmx.xhtml#a44ca54cb014d2f33b98f3d523d90a2f5', 1, 'gmx']]],\n     ['atdat_571', ['atdat', ['../structgmx_1_1NbnxmGpu.xhtml#ac977a0cf05953a53ff1df8cd01d06853', 1, 'gmx::NbnxmGpu::atdat'],\n         ['../structgmx_1_1GpuTimers.xhtml#ae992b44d7d09dcf79d1347f9219d3402', 1, 'gmx::GpuTimers::atdat']\n     ]],\n     ['atf_572', ['atf', ['../classgmx_1_1Lincs.xhtml#a0c17addba5fc06083dd777639123fbee', 1, 'gmx::Lincs']]],\n     ['atnr_573', ['atnr', ['../structgmx__ffparams__t.xhtml#a0bbf906344980fc3d5af5872db5b8ff4', 1, 'gmx_ffparams_t::atnr'],\n         ['../structt__idef.xhtml#ac0de032c9fe33bc65755c359d7724d71', 1, 't_idef::atnr']\n     ]],\n-    ['atom_574', ['atom', ['../classAtomProxy.xhtml#a74dd8b9d35b876b3cf4a3b4a8e772cfc', 1, 'AtomProxy::atom()'],\n-        ['../structt__nblist_1_1JEntry.xhtml#a41ea68a69e0699cbc7a9809dbcf739ec', 1, 't_nblist::JEntry::atom'],\n-        ['../structPreprocessResidue.xhtml#acb4af191ced642266b5124549f2bb90e', 1, 'PreprocessResidue::atom'],\n-        ['../structMoleculePatch.xhtml#a1d1bc0e0e73fa1aed4ca493c981fb464', 1, 'MoleculePatch::atom'],\n+    ['atom_574', ['atom', ['../structt__nblist_1_1JEntry.xhtml#a41ea68a69e0699cbc7a9809dbcf739ec', 1, 't_nblist::JEntry::atom'],\n+        ['../classAtomProxy.xhtml#a74dd8b9d35b876b3cf4a3b4a8e772cfc', 1, 'AtomProxy::atom()'],\n+        ['../structt__nblist_1_1IEntry.xhtml#a159a337c3a0dff382aa71c1d327272bf', 1, 't_nblist::IEntry::atom'],\n         ['../structgmx_1_1AtomIndex.xhtml#a86c46467c265c752b180d28dac63910e', 1, 'gmx::AtomIndex::atom'],\n-        ['../structt__nblist_1_1IEntry.xhtml#a159a337c3a0dff382aa71c1d327272bf', 1, 't_nblist::IEntry::atom']\n+        ['../structMoleculePatch.xhtml#a1d1bc0e0e73fa1aed4ca493c981fb464', 1, 'MoleculePatch::atom'],\n+        ['../structPreprocessResidue.xhtml#acb4af191ced642266b5124549f2bb90e', 1, 'PreprocessResidue::atom']\n     ]],\n     ['atom_20cluster_20non_20bonded_20algorithm_575', ['The NxM atom-cluster non-bonded algorithm', ['../page_nbnxm.xhtml', 1, 'index']]],\n-    ['atom1_576', ['atom1', ['../structVirtualSiteTopology_1_1VirtualSiteBond.xhtml#aa1b18c7a3742b0f0a0dc5c16c0fd4f63', 1, 'VirtualSiteTopology::VirtualSiteBond::atom1'],\n-        ['../structVirtualSiteTopology_1_1VirtualSiteAngle.xhtml#af57ae380179f35813f7df5fbfc9974e6', 1, 'VirtualSiteTopology::VirtualSiteAngle::atom1']\n+    ['atom1_576', ['atom1', ['../structVirtualSiteTopology_1_1VirtualSiteAngle.xhtml#af57ae380179f35813f7df5fbfc9974e6', 1, 'VirtualSiteTopology::VirtualSiteAngle::atom1'],\n+        ['../structVirtualSiteTopology_1_1VirtualSiteBond.xhtml#aa1b18c7a3742b0f0a0dc5c16c0fd4f63', 1, 'VirtualSiteTopology::VirtualSiteBond::atom1']\n     ]],\n     ['atom2_577', ['atom2', ['../structVirtualSiteTopology_1_1VirtualSiteBond.xhtml#ab9f07b4bfbc4fdfab7cb68c97b07d65f', 1, 'VirtualSiteTopology::VirtualSiteBond::atom2'],\n         ['../structVirtualSiteTopology_1_1VirtualSiteAngle.xhtml#a4e6b102e3e81587c06285605cadb6cf2', 1, 'VirtualSiteTopology::VirtualSiteAngle::atom2']\n     ]],\n     ['atom2constraints_5fmoltype_578', ['atom2constraints_moltype', ['../classgmx_1_1Constraints.xhtml#ae549351ff9c0499f19c9973ce201a447', 1, 'gmx::Constraints']]],\n     ['atom2settle_5fmoltype_579', ['atom2settle_moltype', ['../classgmx_1_1Constraints.xhtml#a7661c09da92e38f1b6bb66aa92b5f13b', 1, 'gmx::Constraints']]],\n     ['atom2vsitebond_580', ['Atom2VsiteBond', ['../structAtom2VsiteBond.xhtml', 1, '']]],\n     ['atom3_581', ['atom3', ['../structVirtualSiteTopology_1_1VirtualSiteAngle.xhtml#a13def359d1298b31a803c856da142ec7', 1, 'VirtualSiteTopology::VirtualSiteAngle']]],\n     ['atom_5fto_5fx_5findex_582', ['atom_to_x_index', ['../namespacegmx.xhtml#ad564a95065204fd06ea7ef304a1a8065', 1, 'gmx']]],\n     ['atomareas_5f_583', ['atomAreas_', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02sasa_8cpp_03_1_1SasaModuleData.xhtml#aaa6a3ef895fa4220cf874abbd824ad79', 1, 'gmx::analysismodules::anonymous_namespace{sasa.cpp}::SasaModuleData']]],\n     ['atomchargefromatomtype_584', ['atomChargeFromAtomType', ['../classPreprocessingAtomTypes.xhtml#ad6069bc68554bcd536f6194b46064710', 1, 'PreprocessingAtomTypes']]],\n     ['atomcharges_585', ['atomCharges', ['../classgmx_1_1QMMMTopologyPreprocessor.xhtml#ae6a04829cb46b787647a09486bad0fc9', 1, 'gmx::QMMMTopologyPreprocessor']]],\n     ['atomcount_586', ['atomcount', ['../classgmx_1_1SelectionPosition.xhtml#a77cd685c296f9544a7d9945faf93e851', 1, 'gmx::SelectionPosition::atomCount()'],\n-        ['../classgmx_1_1Selection.xhtml#ab38cecc3514bb8bf51f6578855d9c991', 1, 'gmx::Selection::atomCount()'],\n-        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MoleculeData.xhtml#af3eee2e624cdef793147e6f1e2658af7', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MoleculeData::atomCount']\n+        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MoleculeData.xhtml#af3eee2e624cdef793147e6f1e2658af7', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MoleculeData::atomCount'],\n+        ['../classgmx_1_1Selection.xhtml#ab38cecc3514bb8bf51f6578855d9c991', 1, 'gmx::Selection::atomCount()']\n     ]],\n     ['atomdata_587', ['AtomData', ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1AtomData.xhtml', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}']]],\n     ['atomdata_2eh_588', ['atomdata.h', ['../atomdata_8h.xhtml', 1, '']]],\n     ['atomdata_5fadd_5fnbat_5ff_5fto_5ff_589', ['atomdata_add_nbat_f_to_f', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a03491ccd95e5a3134f583a4aaadfe472', 1, 'gmx::nonbonded_verlet_t']]],\n     ['atomdata_5finit_5fcopy_5fx_5fto_5fnbat_5fx_5fgpu_590', ['atomdata_init_copy_x_to_nbat_x_gpu', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a53aa5937052b8f5ce0af68e3565cd8bb', 1, 'gmx::nonbonded_verlet_t']]],\n     ['atomdensity_591', ['atomDensity', ['../structgmx_1_1GridDimensions.xhtml#a0ae1a87155a32c1a6f8f8ef77d2bb8d4', 1, 'gmx::GridDimensions']]],\n     ['atomdistribution_592', ['atomdistribution', ['../structAtomDistribution.xhtml', 1, 'AtomDistribution'],\n         ['../structAtomDistribution.xhtml#a3e78846a5179ea068294babefa37ca6b', 1, 'AtomDistribution::AtomDistribution()']\n     ]],\n     ['atomdistribution_2eh_593', ['atomdistribution.h', ['../atomdistribution_8h.xhtml', 1, '']]],\n-    ['atomgroups_594', ['atomgroups', ['../structAtomDistribution_1_1DomainAtomGroups.xhtml#a338e43266916f1208029118ca3d5dc3d', 1, 'AtomDistribution::DomainAtomGroups::atomGroups'],\n-        ['../structAtomDistribution.xhtml#aa1dd38e0aa002a1f4a3327f96aa5aae2', 1, 'AtomDistribution::atomGroups']\n+    ['atomgroups_594', ['atomgroups', ['../structAtomDistribution.xhtml#aa1dd38e0aa002a1f4a3327f96aa5aae2', 1, 'AtomDistribution::atomGroups'],\n+        ['../structAtomDistribution_1_1DomainAtomGroups.xhtml#a338e43266916f1208029118ca3d5dc3d', 1, 'AtomDistribution::DomainAtomGroups::atomGroups']\n     ]],\n     ['atomi_595', ['atomI', ['../structgmx_1_1PairDistValue.xhtml#a8482d232744791dc31a692003bd67d62', 1, 'gmx::PairDistValue']]],\n     ['atomicfetchadd_596', ['atomicFetchAdd', ['../sycl__kernel__utils_8h.xhtml#ab32ce116d944b1678fa1f97ade42d9f0', 1, 'sycl_kernel_utils.h']]],\n     ['atomicload_597', ['atomicLoad', ['../sycl__kernel__utils_8h.xhtml#a1045cf95c711aff53b808c7c979cc90b', 1, 'sycl_kernel_utils.h']]],\n     ['atomicnumber_598', ['atomicNumber', ['../structgmx_1_1AtomicStructureFactor.xhtml#a75ab5159ae8f73dcc1e7c0fd958a5eae', 1, 'gmx::AtomicStructureFactor']]],\n     ['atomicstructurefactor_599', ['AtomicStructureFactor', ['../structgmx_1_1AtomicStructureFactor.xhtml', 1, 'gmx']]],\n     ['atomidx_600', ['atomIdx', ['../structgmx_1_1test_1_1anonymous__namespace_02virtualsites_8cpp_03_1_1VirtualSiteTest_1_1VirtualSite.xhtml#a66cfd5f218566bc8748eaf18b2a569d9', 1, 'gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite']]],\n-    ['atomindex_601', ['atomindex', ['../structgmx_1_1InterdependentTask.xhtml#a06faa691e7ecce89e8a2696eb774348a', 1, 'gmx::InterdependentTask::atomIndex'],\n-        ['../structMolecularTopologyAtomIndices.xhtml#a8c3458a3d2c257300d1b4ba2b346f52f', 1, 'MolecularTopologyAtomIndices::atomIndex'],\n-        ['../structgmx_1_1AtomIndex.xhtml', 1, 'gmx::AtomIndex']\n+    ['atomindex_601', ['atomindex', ['../structgmx_1_1AtomIndex.xhtml', 1, 'gmx::AtomIndex'],\n+        ['../structgmx_1_1InterdependentTask.xhtml#a06faa691e7ecce89e8a2696eb774348a', 1, 'gmx::InterdependentTask::atomIndex'],\n+        ['../structMolecularTopologyAtomIndices.xhtml#a8c3458a3d2c257300d1b4ba2b346f52f', 1, 'MolecularTopologyAtomIndices::atomIndex']\n     ]],\n     ['atomindexend_602', ['atomIndexEnd', ['../classgmx_1_1Grid.xhtml#a7026620fb902263d25df55da519f55aa', 1, 'gmx::Grid']]],\n     ['atomindexextremes_603', ['AtomIndexExtremes', ['../structgmx_1_1AtomIndexExtremes.xhtml', 1, 'gmx']]],\n     ['atomindexinmolecule_604', ['atomIndexInMolecule', ['../structAtomInMolblock.xhtml#a6af5c0bc1705b09415154d8c5c3124d5', 1, 'AtomInMolblock']]],\n     ['atomindexset_605', ['AtomIndexSet', ['../structAtomIndexSet.xhtml', 1, '']]],\n     ['atomindices_606', ['atomindices', ['../structgmx_1_1NbnxmGpu.xhtml#aa371653434aeec6b42f47188587d1f11', 1, 'gmx::NbnxmGpu::atomIndices'],\n-        ['../classgmx_1_1GridSet.xhtml#a0114bc69b6192fbcf7288db255eca7c5', 1, 'gmx::GridSet::atomIndices()'],\n-        ['../classgmx_1_1Selection.xhtml#af799b0ed5353376b8dc2bb5978a05c27', 1, 'gmx::Selection::atomIndices()'],\n-        ['../classgmx_1_1SelectionPosition.xhtml#ae4124f9eafffda2144a6e9fd9cfa2374', 1, 'gmx::SelectionPosition::atomIndices()'],\n         ['../structgmx_1_1GridSetData.xhtml#a4704d0c7134843f5da92764f606aca60', 1, 'gmx::GridSetData::atomIndices'],\n         ['../structgmx_1_1NbnxmGpu.xhtml#a44dda1a1c09e3bdcf2a584619339b9cd', 1, 'gmx::NbnxmGpu::atomIndices'],\n+        ['../classgmx_1_1Selection.xhtml#af799b0ed5353376b8dc2bb5978a05c27', 1, 'gmx::Selection::atomIndices()'],\n+        ['../classgmx_1_1GridSet.xhtml#a0114bc69b6192fbcf7288db255eca7c5', 1, 'gmx::GridSet::atomIndices()'],\n+        ['../classgmx_1_1SelectionPosition.xhtml#ae4124f9eafffda2144a6e9fd9cfa2374', 1, 'gmx::SelectionPosition::atomIndices()'],\n         ['../namespacegmx.xhtml#aa1992b14265329250b7e14d817e7bb92a089d104a67ffd73d16005dffe94c1d6a', 1, 'gmx::AtomIndices']\n     ]],\n     ['atomindicessize_607', ['atomIndicesSize', ['../structgmx_1_1NbnxmGpu.xhtml#aa494ec4adf0517fb977b4c4d441f3a5d', 1, 'gmx::NbnxmGpu']]],\n     ['atomindicessize_5falloc_608', ['atomIndicesSize_alloc', ['../structgmx_1_1NbnxmGpu.xhtml#aefc0567e8d1837c77669c922c102abea', 1, 'gmx::NbnxmGpu']]],\n-    ['atominfo_609', ['atominfo', ['../structgmx_1_1test_1_1TestSystem.xhtml#abb7481765ad68b16ca6a83e462b85ac0', 1, 'gmx::test::TestSystem::atomInfo'],\n-        ['../structgmx_1_1AtomInfoWithinMoleculeBlock.xhtml#a515463fe81f8df4a3feff8a09b539574', 1, 'gmx::AtomInfoWithinMoleculeBlock::atomInfo']\n+    ['atominfo_609', ['atominfo', ['../structgmx_1_1AtomInfoWithinMoleculeBlock.xhtml#a515463fe81f8df4a3feff8a09b539574', 1, 'gmx::AtomInfoWithinMoleculeBlock::atomInfo'],\n+        ['../structgmx_1_1test_1_1TestSystem.xhtml#abb7481765ad68b16ca6a83e462b85ac0', 1, 'gmx::test::TestSystem::atomInfo']\n     ]],\n     ['atominfo_2eh_610', ['atominfo.h', ['../atominfo_8h.xhtml', 1, '']]],\n     ['atominfoallvdw_611', ['atomInfoAllVdw', ['../structgmx_1_1BenchmarkSystem.xhtml#aaaf72720a26151bec939e3c04a46270d', 1, 'gmx::BenchmarkSystem']]],\n     ['atominfooxygenvdw_612', ['atomInfoOxygenVdw', ['../structgmx_1_1BenchmarkSystem.xhtml#a6289ac83c686d1b2a69db47ade349c5a', 1, 'gmx::BenchmarkSystem']]],\n     ['atominfowithinmoleculeblock_613', ['AtomInfoWithinMoleculeBlock', ['../structgmx_1_1AtomInfoWithinMoleculeBlock.xhtml', 1, 'gmx']]],\n     ['atominmolblock_614', ['AtomInMolblock', ['../structAtomInMolblock.xhtml', 1, '']]],\n     ['atominmolblockfromglobalatomnr_615', ['atomInMolblockFromGlobalAtomnr', ['../localtopology_8cpp.xhtml#a1f902c679cbc7b7d2a72c24b0ad5c6c8', 1, 'localtopology.cpp']]],\n     ['atomisperturbed_616', ['atomIsPerturbed', ['../classgmx_1_1Grid.xhtml#ad7936de5e5fe35a7a98def5f00ab062f', 1, 'gmx::Grid']]],\n-    ['atomiterator_617', ['atomiterator', ['../classAtomIterator.xhtml', 1, 'AtomIterator'],\n-        ['../classAtomIterator.xhtml#a7d1083a911d0da57dd871933e9d370ee', 1, 'AtomIterator::AtomIterator()']\n+    ['atomiterator_617', ['atomiterator', ['../classAtomIterator.xhtml#a7d1083a911d0da57dd871933e9d370ee', 1, 'AtomIterator::AtomIterator()'],\n+        ['../classAtomIterator.xhtml', 1, 'AtomIterator']\n     ]],\n     ['atomj_618', ['atomJ', ['../structgmx_1_1PairDistValue.xhtml#afbe84cd5655490f6ed35254c0ca0ed80', 1, 'gmx::PairDistValue']]],\n     ['atomlinkrule_619', ['AtomLinkRule', ['../reversetopology_8h.xhtml#a967d347b322a694e357095f81ceb48ef', 1, 'reversetopology.h']]],\n     ['atomlocality_620', ['AtomLocality', ['../namespacegmx.xhtml#a8593d10460a38e0d418692d63f962521', 1, 'gmx']]],\n     ['atommassfromatomtype_621', ['atomMassFromAtomType', ['../classPreprocessingAtomTypes.xhtml#a55f8057264e507415ece959c49fb6457', 1, 'PreprocessingAtomTypes']]],\n-    ['atomname_622', ['atomname', ['../structPreprocessResidue.xhtml#aab90aef93c6f3a87568b177a84551fe9', 1, 'PreprocessResidue::atomname'],\n-        ['../classPdbAtomEntry.xhtml#af47d4c9050f6064da68e8a4a4c72c2ee', 1, 'PdbAtomEntry::atomName()'],\n+    ['atomname_622', ['atomname', ['../structBaseEntry.xhtml#abb7a3d380a46110cf70fe228d83a2945', 1, 'BaseEntry::atomName'],\n         ['../classAtomProxy.xhtml#aa3c0142ad5d7584c7d1132ee9edf4099', 1, 'AtomProxy::atomName()'],\n-        ['../structBaseEntry.xhtml#abb7a3d380a46110cf70fe228d83a2945', 1, 'BaseEntry::atomName']\n+        ['../classPdbAtomEntry.xhtml#af47d4c9050f6064da68e8a4a4c72c2ee', 1, 'PdbAtomEntry::atomName()'],\n+        ['../structPreprocessResidue.xhtml#aab90aef93c6f3a87568b177a84551fe9', 1, 'PreprocessResidue::atomname']\n     ]],\n     ['atomnamefromatomtype_623', ['atomNameFromAtomType', ['../classPreprocessingAtomTypes.xhtml#a98984eb2cdca7be34c5dc5ee2706b129', 1, 'PreprocessingAtomTypes']]],\n     ['atomnamefrombondatomtype_624', ['atomNameFromBondAtomType', ['../classPreprocessingBondAtomType.xhtml#a4821c3a23a8bd54d7a54422feb315a1d', 1, 'PreprocessingBondAtomType']]],\n     ['atomnonbondedparamfromatomtype_625', ['atomNonBondedParamFromAtomType', ['../classPreprocessingAtomTypes.xhtml#aca7cd139fd9bcba6492bd62ef7451d0d', 1, 'PreprocessingAtomTypes']]],\n     ['atomnumber_626', ['atomnumber', ['../classSimulationParticle.xhtml#ace1d77b12f6bb87a989625a49d949676', 1, 'SimulationParticle::atomnumber()'],\n         ['../structgmx_1_1ExclusionBlock.xhtml#addf7774c1ffe38713048028cb3796082', 1, 'gmx::ExclusionBlock::atomNumber']\n     ]],\n     ['atomnumberfromatomtype_627', ['atomNumberFromAtomType', ['../classPreprocessingAtomTypes.xhtml#ac293048742cb9444772266de8e558a4d', 1, 'PreprocessingAtomTypes']]],\n     ['atomnumberfromelement_628', ['atomNumberFromElement', ['../classAtomProperties.xhtml#a076037cf4e1ac19d1dbab8bd405895e1', 1, 'AtomProperties']]],\n     ['atomnumberinmol_629', ['atomNumberInMol', ['../classAtomProxy.xhtml#abaf90133ea6d64b59a9549765d8362ea', 1, 'AtomProxy']]],\n     ['atomnumbers_630', ['atomNumbers', ['../classgmx_1_1QMMMTopologyPreprocessor.xhtml#ad2a2f0d2148996c5af7fca867752c898', 1, 'gmx::QMMMTopologyPreprocessor']]],\n     ['atomnumbers_5f_631', ['atomNumbers_', ['../structgmx_1_1QMMMParameters.xhtml#abddd266e05bdf80ce369ff8c0b8c7fb7', 1, 'gmx::QMMMParameters']]],\n-    ['atompair_632', ['atompair', ['../structanonymous__namespace_02lincs_8cpp_03_1_1AtomPair.xhtml#a89c262d8eaebc89514e1899a7689b3a6', 1, 'anonymous_namespace{lincs.cpp}::AtomPair::AtomPair()'],\n-        ['../structanonymous__namespace_02lincs_8cpp_03_1_1AtomPair.xhtml', 1, 'anonymous_namespace{lincs.cpp}::AtomPair'],\n-        ['../structgmx_1_1AtomPair.xhtml', 1, 'gmx::AtomPair']\n+    ['atompair_632', ['atompair', ['../structgmx_1_1AtomPair.xhtml', 1, 'gmx::AtomPair'],\n+        ['../structanonymous__namespace_02lincs_8cpp_03_1_1AtomPair.xhtml#a89c262d8eaebc89514e1899a7689b3a6', 1, 'anonymous_namespace{lincs.cpp}::AtomPair::AtomPair()'],\n+        ['../structanonymous__namespace_02lincs_8cpp_03_1_1AtomPair.xhtml', 1, 'anonymous_namespace{lincs.cpp}::AtomPair']\n     ]],\n     ['atomparticletypefromatomtype_633', ['atomParticleTypeFromAtomType', ['../classPreprocessingAtomTypes.xhtml#afc92961583d62873cf2425c8358ae058', 1, 'PreprocessingAtomTypes']]],\n     ['atomproperties_634', ['atomproperties', ['../classAtomProperties.xhtml', 1, 'AtomProperties'],\n         ['../classAtomProperties.xhtml#ad64303952465a4f57d45d3e21492bf2a', 1, 'AtomProperties::AtomProperties()']\n     ]],\n     ['atomproperty_635', ['AtomProperty', ['../structAtomProperty.xhtml', 1, '']]],\n-    ['atomproxy_636', ['atomproxy', ['../classAtomProxy.xhtml#a0111c6a6587121c282a7d25084c3f6d7', 1, 'AtomProxy::AtomProxy()'],\n-        ['../classAtomProxy.xhtml', 1, 'AtomProxy']\n+    ['atomproxy_636', ['atomproxy', ['../classAtomProxy.xhtml', 1, 'AtomProxy'],\n+        ['../classAtomProxy.xhtml#a0111c6a6587121c282a7d25084c3f6d7', 1, 'AtomProxy::AtomProxy()']\n     ]],\n     ['atomrange_637', ['atomrange', ['../classgmx_1_1DomainCommForward.xhtml#a705d085a92df7a62f9ac228e28bb8f43', 1, 'gmx::DomainCommForward::atomRange()'],\n         ['../classgmx_1_1DomdecZones.xhtml#a69a162ff7d8cb2f72e6c44b005ab7580', 1, 'gmx::DomdecZones::atomRange()'],\n         ['../classAtomRange.xhtml#ae32ca9f8a73424bb69be2089c87e71f8', 1, 'AtomRange::AtomRange()'],\n         ['../structgmx_1_1PpCommManager.xhtml#ac1663dc738d4cccc43cef6604118894f', 1, 'gmx::PpCommManager::atomRange'],\n         ['../classAtomRange.xhtml', 1, 'AtomRange']\n     ]],\n-    ['atoms_638', ['atoms', ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1ListInput.xhtml#ad3e28873f1ac35bce5ef018bb41e4266', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::ListInput::atoms'],\n+    ['atoms_638', ['atoms', ['../structgmx__moltype__t.xhtml#af760b3a13193bf60232fae7b1b97281c', 1, 'gmx_moltype_t::atoms'],\n         ['../classgmx_1_1TopologyInformation.xhtml#a2b692eec7c082de3720fa9db81d5a904', 1, 'gmx::TopologyInformation::atoms()'],\n         ['../classInteractionOfType.xhtml#aeefd6a9f6a417922b22da2a2eb832214', 1, 'InteractionOfType::atoms() const'],\n         ['../classInteractionOfType.xhtml#aee64fc0c531cf2927e6ecea7589fb1fc', 1, 'InteractionOfType::atoms()'],\n-        ['../structgmx__moltype__t.xhtml#af760b3a13193bf60232fae7b1b97281c', 1, 'gmx_moltype_t::atoms'],\n         ['../classgmx_1_1Lincs.xhtml#a03429867af6d9915bfeb40b4efb74564', 1, 'gmx::Lincs::atoms'],\n         ['../structMoleculeInformation.xhtml#ab7e1213db185145af368daafdd5b6e41', 1, 'MoleculeInformation::atoms'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1ListInput.xhtml#ad3e28873f1ac35bce5ef018bb41e4266', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::ListInput::atoms'],\n         ['../structPmeGpuKernelParamsBase.xhtml#a8371b686607add45cf897b7d0abb6ccd', 1, 'PmeGpuKernelParamsBase::atoms'],\n         ['../structgmx_1_1OutputRequirements.xhtml#ac8291af3501052b5e375abd0f34f15ce', 1, 'gmx::OutputRequirements::atoms']\n     ]],\n     ['atoms_2ecpp_639', ['atoms.cpp', ['../tests_2atoms_8cpp.xhtml', 1, '']]],\n     ['atoms_5f_640', ['atoms_', ['../structgmx_1_1NNPotParameters.xhtml#a8b38cb7b9d9cf4f48b08585bba45a76c', 1, 'gmx::NNPotParameters']]],\n     ['atoms_5fto_5fconstraints_641', ['atoms_to_constraints', ['../domdec__constraints_8cpp.xhtml#a891804a827cbded2fbf727ea2cba8279', 1, 'domdec_constraints.cpp']]],\n     ['atoms_5fto_5fsettles_642', ['atoms_to_settles', ['../domdec__constraints_8cpp.xhtml#afe9f0ac7cf0967b945a83a6c4cd570f6', 1, 'domdec_constraints.cpp']]],\n@@ -1118,33 +1118,33 @@\n     ['atomsetdata_5f_649', ['atomSetData_', ['../classgmx_1_1LocalAtomSetManager_1_1Impl.xhtml#a389aedb2b2399ba0655636c290a5be4f', 1, 'gmx::LocalAtomSetManager::Impl']]],\n     ['atomsinbox_650', ['AtomsInBox', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a969ce89895bcf331f6781d44516d0214', 1, 'gmx']]],\n     ['atomtoatomintodomaintodomaincutoff_651', ['atomToAtomIntoDomainToDomainCutoff', ['../domdec_2utility_8h.xhtml#a348cc51cf67fa4a05a780abdf4643c69', 1, 'utility.h']]],\n     ['atomtocluster_652', ['atomToCluster', ['../classgmx_1_1Grid.xhtml#af929b7ef61bcccf98afd76ec43232f92', 1, 'gmx::Grid']]],\n     ['atomtointeractionlocality_653', ['atomToInteractionLocality', ['../namespacegmx.xhtml#a91652a54a4d24b77f5af5bf91893acb8', 1, 'gmx']]],\n     ['atomtype_654', ['atomtype', ['../structVirtualSiteConfiguration.xhtml#abebc8e3159b10365fb9128d7ea9f336f', 1, 'VirtualSiteConfiguration']]],\n     ['atomtypefromname_655', ['atomTypeFromName', ['../classPreprocessingAtomTypes.xhtml#a090d8271a1507ac7d51d0c81dfbf9d0e', 1, 'PreprocessingAtomTypes']]],\n-    ['atomtypes_656', ['atomtypes', ['../structgmx_1_1BenchmarkSystem.xhtml#a41fe865d22956545b9d2b3ba73c18e66', 1, 'gmx::BenchmarkSystem::atomTypes'],\n+    ['atomtypes_656', ['atomtypes', ['../structgmx_1_1test_1_1TestSystem.xhtml#aa9482c598b42db4acfab5908c20c42b9', 1, 'gmx::test::TestSystem::atomTypes'],\n         ['../structgmx_1_1NBAtomDataGpu.xhtml#a576a787d23e52da39489927a9f69523a', 1, 'gmx::NBAtomDataGpu::atomTypes'],\n-        ['../structgmx_1_1test_1_1TestSystem.xhtml#aa9482c598b42db4acfab5908c20c42b9', 1, 'gmx::test::TestSystem::atomTypes']\n+        ['../structgmx_1_1BenchmarkSystem.xhtml#a41fe865d22956545b9d2b3ba73c18e66', 1, 'gmx::BenchmarkSystem::atomTypes']\n     ]],\n     ['author_657', ['author', ['../classgmx_1_1H5md.xhtml#a442132f595286cb8095261dace23a32c', 1, 'gmx::H5md']]],\n     ['auto_658', ['auto', ['../namespacegmx.xhtml#afd6f3326407d61e4364f4bfeeebe5f03a06b9281e396db002010bde1de57262eb', 1, 'gmx::Auto'],\n         ['../md__enums_8h.xhtml#a97f75ea42eaef8b5f42e1ebc8143677da06b9281e396db002010bde1de57262eb', 1, 'Auto:&#160;md_enums.h']\n     ]],\n     ['autocorr_2ecpp_659', ['autocorr.cpp', ['../tests_2autocorr_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../autocorr_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['autocorr_2eh_660', ['autocorr.h', ['../autocorr_8h.xhtml', 1, '']]],\n     ['automated_20checking_661', ['Automated checking', ['../page_simd.xhtml#autotoc_md69', 1, '']]],\n     ['available_662', ['available', ['../txtdump_8h.xhtml#ae238112c35f9365dea81fcc6a93d85ad', 1, 'txtdump.cpp']]],\n     ['aver_663', ['aver', ['../structt__UmbrellaWindow.xhtml#a761fb336b9511567f04023c5dd340219', 1, 't_UmbrellaWindow']]],\n-    ['average_664', ['average', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#ae261c5a75fa1c55507798631058dd98aab1897515d548a960afe49ecf66a29021', 1, 'anonymous_namespace{edsam.cpp}::Average'],\n-        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#a12396e50589a3601c7ebcf0a44ab303c', 1, 'gmx::AnalysisDataAverageModule::average()'],\n+    ['average_664', ['average', ['../classgmx_1_1AnalysisDataAverageModule.xhtml#a12396e50589a3601c7ebcf0a44ab303c', 1, 'gmx::AnalysisDataAverageModule::average()'],\n+        ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a731796b828190c1936023f4fd9012f97', 1, 'gmx::AnalysisDataFrameAverager::average()'],\n         ['../classgmx_1_1EnergyTerm.xhtml#a1621a026474b2a73a50576d9fd0302cb', 1, 'gmx::EnergyTerm::average()'],\n-        ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a731796b828190c1936023f4fd9012f97', 1, 'gmx::AnalysisDataFrameAverager::average()']\n+        ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#ae261c5a75fa1c55507798631058dd98aab1897515d548a960afe49ecf66a29021', 1, 'anonymous_namespace{edsam.cpp}::Average']\n     ]],\n     ['average_2ecpp_665', ['average.cpp', ['../tests_2average_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../modules_2average_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['average_2eh_666', ['average.h', ['../average_8h.xhtml', 1, '']]],\n     ['average_5facf_667', ['average_acf', ['../autocorr_8cpp.xhtml#ac53da98a385ba51e429626625bdd07f0', 1, 'autocorr.cpp']]],\n     ['averagehistogrampointer_668', ['AverageHistogramPointer', ['../namespacegmx.xhtml#a06c190fcdacd0ca64e4e9026213483cb', 1, 'gmx']]],\n@@ -1154,17 +1154,17 @@\n     ['averagemsds_672', ['averageMsds', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdData.xhtml#a55d0f0d4969af71c090439e0e7b2c32a', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdData']]],\n     ['averager_673', ['averager', ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#a2b0e98a3d198fbb4786bb9dc900322d0', 1, 'gmx::AnalysisDataWeightedHistogramModule::averager()'],\n         ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#a986b16ec1c9d07cadaf841c9e673aa77', 1, 'gmx::AnalysisDataSimpleHistogramModule::averager()']\n     ]],\n     ['averager_5f_674', ['averager_', ['../classgmx_1_1internal_1_1BasicHistogramImpl.xhtml#a2482629fa76a781025784fab2d03f7f8', 1, 'gmx::internal::BasicHistogramImpl']]],\n     ['averagesigma_675', ['averageSigma', ['../gmx__wham_8cpp.xhtml#a89d78dd46e28736d8345d4b81f7d2169', 1, 'gmx_wham.cpp']]],\n     ['awh_676', ['awh', ['../page_awh.xhtml#autotoc_md0', 1, 'Accelerating sampling with AWH'],\n-        ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a0d9fdb0da3e9c99ad58a3e02bcd01fbca023bb350e48d08ed5220beb0575b1e35', 1, 'anonymous_namespace{gmx_awh.cpp}::Awh'],\n-        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a023bb350e48d08ed5220beb0575b1e35', 1, 'gmx::Awh'],\n         ['../classgmx_1_1Awh.xhtml#a7bb33226c0d260d387d3d612f7f39835', 1, 'gmx::Awh::Awh()'],\n+        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a023bb350e48d08ed5220beb0575b1e35', 1, 'gmx::Awh'],\n+        ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a0d9fdb0da3e9c99ad58a3e02bcd01fbca023bb350e48d08ed5220beb0575b1e35', 1, 'anonymous_namespace{gmx_awh.cpp}::Awh'],\n         ['../classgmx_1_1Awh.xhtml', 1, 'gmx::Awh'],\n         ['../page_awh.xhtml', 1, 'The accelerated weight histogram method (AWH)']\n     ]],\n     ['awh_20in_20mdrun_677', ['Use of AWH in mdrun', ['../page_awh.xhtml#autotoc_md2', 1, '']]],\n     ['awh_20method_678', ['Accelerated weight histogram (AWH) method', ['../group__module__awh.xhtml', 1, '']]],\n     ['awh_20module_679', ['Design of the AWH module', ['../page_awh.xhtml#autotoc_md1', 1, '']]],\n     ['awh_2ecpp_680', ['awh.cpp', ['../awh_8cpp.xhtml', 1, '']]],\n@@ -1173,38 +1173,38 @@\n     ['awh_5fdvec_683', ['awh_dvec', ['../namespacegmx.xhtml#a079fa4aee8e4c6663f35aa1d0f4bac4b', 1, 'gmx']]],\n     ['awh_5fhistory_2ecpp_684', ['awh_history.cpp', ['../awh__history_8cpp.xhtml', 1, '']]],\n     ['awh_5fhistory_2eh_685', ['awh_history.h', ['../awh__history_8h.xhtml', 1, '']]],\n     ['awh_5fivec_686', ['awh_ivec', ['../namespacegmx.xhtml#a74baae008f9132c5e0daf2a02b122b3b', 1, 'gmx']]],\n     ['awh_5fparams_2eh_687', ['awh_params.h', ['../awh__params_8h.xhtml', 1, '']]],\n     ['awhbiasing_688', ['AwhBiasing', ['../namespacegmx.xhtml#a73202d646d57bcc963d8afd5a16015f0a447fab9cec8aab189be326d1cc099a3c', 1, 'gmx']]],\n     ['awhbiasparams_689', ['awhbiasparams', ['../classgmx_1_1AwhParams.xhtml#a8adde8f75f6475ecef5e857cdbce4c51', 1, 'gmx::AwhParams::awhBiasParams()'],\n-        ['../classgmx_1_1AwhParams.xhtml#aabd2a266526d16dde0fdf0af95e79674', 1, 'gmx::AwhParams::awhBiasParams(size_t idx) const'],\n+        ['../classgmx_1_1AwhParams.xhtml#a6bb33930ef2abaadc9032a928fc5768e', 1, 'gmx::AwhParams::awhBiasParams(size_t idx)'],\n         ['../classgmx_1_1AwhParams.xhtml#af63363b376c94238200328f6168bc055', 1, 'gmx::AwhParams::awhBiasParams() const'],\n-        ['../classgmx_1_1AwhParams.xhtml#a6bb33930ef2abaadc9032a928fc5768e', 1, 'gmx::AwhParams::awhBiasParams(size_t idx)']\n+        ['../classgmx_1_1AwhParams.xhtml#aabd2a266526d16dde0fdf0af95e79674', 1, 'gmx::AwhParams::awhBiasParams(size_t idx) const']\n     ]],\n     ['awhbiasparamserialized_690', ['awhBiasParamSerialized', ['../namespacegmx_1_1test.xhtml#a998486e08e0b0fe4acafbd73f9fdf7cb', 1, 'gmx::test']]],\n     ['awhcoordinateprovidertype_691', ['AwhCoordinateProviderType', ['../namespacegmx.xhtml#aeb14e0effdd405359c83ae16aeeb793c', 1, 'gmx']]],\n     ['awhdimparamserialized_692', ['awhDimParamSerialized', ['../namespacegmx_1_1test.xhtml#a4d5bf1039f14c127b02ba30266da9f58', 1, 'gmx::test']]],\n     ['awhenergyblock_693', ['awhenergyblock', ['../classgmx_1_1AwhEnergyBlock.xhtml#a6bbd97f1811e916158787bbac63826c8', 1, 'gmx::AwhEnergyBlock::AwhEnergyBlock()'],\n         ['../classgmx_1_1AwhEnergyBlock.xhtml', 1, 'gmx::AwhEnergyBlock']\n     ]],\n     ['awhgraphselection_694', ['AwhGraphSelection', ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a600536d6baf212ecc56d278f2a0e3e59', 1, 'anonymous_namespace{gmx_awh.cpp}']]],\n     ['awhhasfeplambdadimension_695', ['awhHasFepLambdaDimension', ['../namespacegmx.xhtml#a30a906d1af5b69038a334aaf38d931a9', 1, 'gmx']]],\n     ['awhhistogramgrowthtype_696', ['AwhHistogramGrowthType', ['../namespacegmx.xhtml#a235a1399a9c27bee96a294c9ff97b681', 1, 'gmx']]],\n     ['awhhistory_697', ['awhHistory', ['../classt__state.xhtml#a842d4b9027024c85320833630ad51b85', 1, 't_state']]],\n     ['awhoutputentrytype_698', ['AwhOutputEntryType', ['../namespacegmx.xhtml#aed0429233bc357e419dafee7b8bd1344', 1, 'gmx']]],\n     ['awhoutputfile_699', ['awhOutputFile', ['../structBiasOutputSetup.xhtml#a3fad3430c709ac7372b824bc4754ed39', 1, 'BiasOutputSetup']]],\n     ['awhoutputmetadata_700', ['AwhOutputMetaData', ['../namespacegmx.xhtml#aa78c6481d10a93316c155ffdf021e581', 1, 'gmx']]],\n-    ['awhparams_701', ['awhparams', ['../classgmx_1_1AwhParams.xhtml#a6fd2aa8c74f224fb6e53397b58bc15fe', 1, 'gmx::AwhParams::AwhParams(const AwhParams &amp;)=delete'],\n+    ['awhparams_701', ['awhparams', ['../classgmx_1_1AwhParams.xhtml', 1, 'gmx::AwhParams'],\n+        ['../classgmx_1_1AwhParams.xhtml#a6fd2aa8c74f224fb6e53397b58bc15fe', 1, 'gmx::AwhParams::AwhParams(const AwhParams &amp;)=delete'],\n+        ['../classgmx_1_1AwhParams.xhtml#a519e977b6c6670668924cfd6327a9af8', 1, 'gmx::AwhParams::AwhParams(std::vector&lt; t_inpfile &gt; *inp, WarningHandler *wi)'],\n         ['../classgmx_1_1AwhParams.xhtml#aafd50ea61bd26591921b1985de149ceb', 1, 'gmx::AwhParams::AwhParams(AwhParams &amp;&amp;)=default'],\n         ['../classgmx_1_1AwhParams.xhtml#a09e550d9c6945d3c75d8d29340484007', 1, 'gmx::AwhParams::AwhParams(ISerializer *serializer, bool tprWithoutGrowthFactor, bool tprWithoutTargetMetricScaling)'],\n-        ['../classgmx_1_1AwhParams.xhtml#a519e977b6c6670668924cfd6327a9af8', 1, 'gmx::AwhParams::AwhParams(std::vector&lt; t_inpfile &gt; *inp, WarningHandler *wi)'],\n         ['../classgmx_1_1test_1_1BiasTest.xhtml#aa3c6b8ff3fd739d5d978ca12aaaebeef', 1, 'gmx::test::BiasTest::awhParams()'],\n-        ['../structgmx_1_1test_1_1AwhTestParameters.xhtml#a03dd18f5fd05b9db8c42c45bdc46a959', 1, 'gmx::test::AwhTestParameters::awhParams'],\n-        ['../classgmx_1_1AwhParams.xhtml', 1, 'gmx::AwhParams']\n+        ['../structgmx_1_1test_1_1AwhTestParameters.xhtml#a03dd18f5fd05b9db8c42c45bdc46a959', 1, 'gmx::test::AwhTestParameters::awhParams']\n     ]],\n     ['awhparamserialized_702', ['awhParamSerialized', ['../namespacegmx_1_1test.xhtml#af078039984b97ba0b128d3aba3e70d14', 1, 'gmx::test']]],\n     ['awhpotentialtype_703', ['AwhPotentialType', ['../namespacegmx.xhtml#afa8b60e32b5a7392796aee7679bc10f3', 1, 'gmx']]],\n     ['awhreader_704', ['awhreader', ['../classAwhReader.xhtml#ae1df0ae333e0241b166ac5a09229d2b1', 1, 'AwhReader::AwhReader()'],\n         ['../classAwhReader.xhtml', 1, 'AwhReader']\n     ]],\n     ['awhtargettype_705', ['AwhTargetType', ['../namespacegmx.xhtml#a36747ae7b7009cef0a2227911862c3c9', 1, 'gmx']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -843,96 +843,96 @@\n     ['clearforcebuffer_579', ['clearForceBuffer', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#acc5555d90dbd4b2a4278c021e7440816', 1, 'gmx::nbnxn_atomdata_t']]],\n     ['clearforcesandenergies_580', ['clearForcesAndEnergies', ['../classgmx_1_1ThreadForceBuffer.xhtml#a65135f9bec3493a91559e782add03f82', 1, 'gmx::ThreadForceBuffer']]],\n     ['clearframe_581', ['clearFrame', ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a48fe32216f9402146ba0a12097600e60', 1, 'gmx::internal::AnalysisDataStorageFrameData']]],\n     ['cleargpufbufferearly_582', ['clearGpuFBufferEarly', ['../classgmx_1_1StepWorkload.xhtml#ad36a110e9c4e372e01c7baf852c91c48', 1, 'gmx::StepWorkload']]],\n     ['clearhist_583', ['clearHist', ['../classgmx_1_1ComputeDebyeScattering.xhtml#a56ae99df71bb6a2c58d38e2192a77a81', 1, 'gmx::ComputeDebyeScattering']]],\n     ['clearifneeded_584', ['clearIfNeeded', ['../classChainIdFiller.xhtml#a751d1d8479b26c11d20c4085a0981121', 1, 'ChainIdFiller']]],\n     ['clearmodificationblock_585', ['clearModificationBlock', ['../hackblock_8h.xhtml#aebf7055bd2787b678b68cd10b985e280', 1, 'hackblock.cpp']]],\n-    ['clearset_586', ['clearset', ['../classgmx_1_1OptionStorageTemplate.xhtml#aacee4c66708e962661689f08a462739a', 1, 'gmx::OptionStorageTemplate::clearSet()'],\n-        ['../classgmx_1_1AbstractOptionStorage.xhtml#a3777ada9336d3fd52068a9929b6fb3b8', 1, 'gmx::AbstractOptionStorage::clearSet()']\n+    ['clearset_586', ['clearset', ['../classgmx_1_1AbstractOptionStorage.xhtml#a3777ada9336d3fd52068a9929b6fb3b8', 1, 'gmx::AbstractOptionStorage::clearSet()'],\n+        ['../classgmx_1_1OptionStorageTemplate.xhtml#aacee4c66708e962661689f08a462739a', 1, 'gmx::OptionStorageTemplate::clearSet()']\n     ]],\n     ['clearsymboltable_587', ['clearSymbolTable', ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#ab674dda1a30837dcbacb7a043f339a19', 1, 'gmx::SelectionCollection::Impl']]],\n     ['cleartaskforcebufferusedelements_588', ['clearTaskForceBufferUsedElements', ['../namespacegmx.xhtml#a9c65d4e61132e4ba154b1b1e8d772483', 1, 'gmx']]],\n-    ['clfftinitializer_589', ['clfftinitializer', ['../classgmx_1_1ClfftInitializer.xhtml', 1, 'gmx::ClfftInitializer'],\n-        ['../classgmx_1_1ClfftInitializer.xhtml#a8e52d5eb9696dbfff76e6bdc9d56353b', 1, 'gmx::ClfftInitializer::ClfftInitializer()']\n+    ['clfftinitializer_589', ['clfftinitializer', ['../classgmx_1_1ClfftInitializer.xhtml#a8e52d5eb9696dbfff76e6bdc9d56353b', 1, 'gmx::ClfftInitializer::ClfftInitializer()'],\n+        ['../classgmx_1_1ClfftInitializer.xhtml', 1, 'gmx::ClfftInitializer']\n     ]],\n-    ['clfftinitializer_2ecpp_590', ['clfftinitializer.cpp', ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['clfftinitializer_2ecpp_590', ['clfftinitializer.cpp', ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['clfftinitializer_2eh_591', ['clfftinitializer.h', ['../clfftinitializer_8h.xhtml', 1, '']]],\n-    ['clhandle_592', ['clhandle', ['../classgmx_1_1ClHandle.xhtml#a506140fa32d43652bcffc0dc2f95c366', 1, 'gmx::ClHandle::ClHandle(ClHandle &amp;&amp;) noexcept=default'],\n+    ['clhandle_592', ['clhandle', ['../classgmx_1_1ClHandle.xhtml', 1, 'gmx::ClHandle&lt; cl_type &gt;'],\n+        ['../classgmx_1_1ClHandle.xhtml#a506140fa32d43652bcffc0dc2f95c366', 1, 'gmx::ClHandle::ClHandle(ClHandle &amp;&amp;) noexcept=default'],\n         ['../classgmx_1_1ClHandle.xhtml#a2dce49849ee0051ee05990c651f0b56a', 1, 'gmx::ClHandle::ClHandle(const ClHandle &amp;)=delete'],\n-        ['../classgmx_1_1ClHandle.xhtml#a27f1a3d671ccf77c8c5c724d2c38d0db', 1, 'gmx::ClHandle::ClHandle(cl_type handle)'],\n         ['../classgmx_1_1ClHandle.xhtml#afa26827973b650e659cec6b3fdb90a1c', 1, 'gmx::ClHandle::ClHandle()=delete'],\n-        ['../classgmx_1_1ClHandle.xhtml', 1, 'gmx::ClHandle&lt; cl_type &gt;']\n+        ['../classgmx_1_1ClHandle.xhtml#a27f1a3d671ccf77c8c5c724d2c38d0db', 1, 'gmx::ClHandle::ClHandle(cl_type handle)']\n     ]],\n-    ['client_593', ['client', ['../classgmx_1_1LoggingSignaller.xhtml#aaf810ad2f5b09e596a9d2dbb29553125', 1, 'gmx::LoggingSignaller::Client'],\n-        ['../classgmx_1_1LastStepSignaller.xhtml#afd9ce82ca570b65800e8847edde18bff', 1, 'gmx::LastStepSignaller::Client'],\n+    ['client_593', ['client', ['../classgmx_1_1LastStepSignaller.xhtml#afd9ce82ca570b65800e8847edde18bff', 1, 'gmx::LastStepSignaller::Client'],\n+        ['../classgmx_1_1LoggingSignaller.xhtml#aaf810ad2f5b09e596a9d2dbb29553125', 1, 'gmx::LoggingSignaller::Client'],\n         ['../classgmx_1_1NeighborSearchSignaller.xhtml#a3252cb8f172a9adbc7ebe9823e354e92', 1, 'gmx::NeighborSearchSignaller::Client'],\n         ['../classgmx_1_1TrajectorySignaller.xhtml#ae0de88b8aa35e7dbf3b17aade886baef', 1, 'gmx::TrajectorySignaller::Client'],\n         ['../classgmx_1_1EnergySignaller.xhtml#a94150f5b1e8c15af92db18487806c6bc', 1, 'gmx::EnergySignaller::Client']\n     ]],\n-    ['clientid_594', ['clientid', ['../classgmx_1_1VelocityScalingTemperatureCoupling.xhtml#ab5ccd5b17d1db7a544a278e22a18862d', 1, 'gmx::VelocityScalingTemperatureCoupling::clientID()'],\n+    ['clientid_594', ['clientid', ['../classgmx_1_1FirstOrderPressureCoupling.xhtml#ac841a4d173f4113f6a58f7fea81f7623', 1, 'gmx::FirstOrderPressureCoupling::clientID()'],\n+        ['../classgmx_1_1ExpandedEnsembleElement.xhtml#ae39efb9474aa97465e44bed1a0c1c262', 1, 'gmx::ExpandedEnsembleElement::clientID()'],\n+        ['../classgmx_1_1VelocityScalingTemperatureCoupling.xhtml#ab5ccd5b17d1db7a544a278e22a18862d', 1, 'gmx::VelocityScalingTemperatureCoupling::clientID()'],\n         ['../classgmx_1_1StatePropagatorData_1_1Element.xhtml#adcc80949d852ec6d949e909661b4903b', 1, 'gmx::StatePropagatorData::Element::clientID()'],\n         ['../classgmx_1_1PullElement.xhtml#a59eab0b7c64c240c5a3d40b0d0965d8a', 1, 'gmx::PullElement::clientID()'],\n         ['../classgmx_1_1ParrinelloRahmanBarostat.xhtml#ad8bd318c1b0d38e34c563a9724193353', 1, 'gmx::ParrinelloRahmanBarostat::clientID()'],\n         ['../classgmx_1_1NoseHooverChainsData.xhtml#a6231115c2e233938dbe9328cf91e73d2', 1, 'gmx::NoseHooverChainsData::clientID()'],\n         ['../classgmx_1_1MttkData.xhtml#a025798d55223c429d122cfc0e4604d3a', 1, 'gmx::MttkData::clientID()'],\n         ['../group__module__modularsimulator.xhtml#gadab8128d65de85ab9a5be2da01cadfd3', 1, 'gmx::ICheckpointHelperClient::clientID()'],\n-        ['../classgmx_1_1ExpandedEnsembleElement.xhtml#ae39efb9474aa97465e44bed1a0c1c262', 1, 'gmx::ExpandedEnsembleElement::clientID()'],\n-        ['../classgmx_1_1EnergyData_1_1Element.xhtml#a7bec0626f7b0334084b1de0d74f017ff', 1, 'gmx::EnergyData::Element::clientID()'],\n-        ['../classgmx_1_1FirstOrderPressureCoupling.xhtml#ac841a4d173f4113f6a58f7fea81f7623', 1, 'gmx::FirstOrderPressureCoupling::clientID()'],\n-        ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#afae0a07cbf3e5a2e127b4cbf7b19822a', 1, 'gmx::FreeEnergyPerturbationData::Element::clientID()']\n+        ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#afae0a07cbf3e5a2e127b4cbf7b19822a', 1, 'gmx::FreeEnergyPerturbationData::Element::clientID()'],\n+        ['../classgmx_1_1EnergyData_1_1Element.xhtml#a7bec0626f7b0334084b1de0d74f017ff', 1, 'gmx::EnergyData::Element::clientID()']\n     ]],\n     ['clientsocket_595', ['clientsocket', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#adfd42d6e6976ab4573e70c798e685c23', 1, 'gmx::ImdSession::Impl']]],\n-    ['clone_596', ['clone', ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml#acbaf7e69026d8eb4539b4d039f8ca4b2', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct::clone()'],\n+    ['clone_596', ['clone', ['../classgmx_1_1AbstractAverageHistogram.xhtml#ae41c64629aa1fdbc6aa79f6e2c842c7f', 1, 'gmx::AbstractAverageHistogram::clone()'],\n+        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml#acbaf7e69026d8eb4539b4d039f8ca4b2', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct::clone()'],\n         ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityRelativeEntropy.xhtml#a06da6c303c493beb97fc95f5d6265801', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityRelativeEntropy::clone()'],\n-        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml#a19b0f24b941e857b7d8bba44fdf880db', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation::clone()'],\n-        ['../classgmx_1_1AbstractAverageHistogram.xhtml#ae41c64629aa1fdbc6aa79f6e2c842c7f', 1, 'gmx::AbstractAverageHistogram::clone()']\n+        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml#a19b0f24b941e857b7d8bba44fdf880db', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation::clone()']\n     ]],\n     ['cloneonspawnedthread_597', ['cloneOnSpawnedThread', ['../classgmx_1_1Mdrunner.xhtml#a7c3f076c50e8a65e46c45964586ef0ac', 1, 'gmx::Mdrunner']]],\n-    ['close_598', ['close', ['../classgmx_1_1TextInputStream.xhtml#ad8b5700fa45d4eb69105238d9fdfaca7', 1, 'gmx::TextInputStream::close()'],\n-        ['../classgmx_1_1StandardInputStream.xhtml#ad47b5f004707624d1ba6963f4cf425d2', 1, 'gmx::StandardInputStream::close()'],\n-        ['../classgmx_1_1TextInputFile.xhtml#a206e851131b014eaef22f56217092e27', 1, 'gmx::TextInputFile::close()'],\n+    ['close_598', ['close', ['../classgmx_1_1StandardInputStream.xhtml#ad47b5f004707624d1ba6963f4cf425d2', 1, 'gmx::StandardInputStream::close()'],\n         ['../classgmx_1_1TextOutputFile.xhtml#a0e112f234e5bc3c42d4d01087412af56', 1, 'gmx::TextOutputFile::close()'],\n         ['../classgmx_1_1StringOutputStream.xhtml#a72a9089f662d660616d6ed419d0efe93', 1, 'gmx::StringOutputStream::close()'],\n+        ['../classgmx_1_1TextInputFile.xhtml#a206e851131b014eaef22f56217092e27', 1, 'gmx::TextInputFile::close()'],\n         ['../classgmx_1_1StringInputStream.xhtml#abb10d95192f3e79d19764855bcbd1739', 1, 'gmx::StringInputStream::close()'],\n-        ['../classgmx_1_1TextReader.xhtml#a832ce4203c67ac5b86859954c8c96b8f', 1, 'gmx::TextReader::close()'],\n+        ['../classgmx_1_1TextWriter.xhtml#aeb5664c1d354a35f621061f73888fb0d', 1, 'gmx::TextWriter::close()'],\n         ['../classgmx_1_1TextOutputStream.xhtml#a8c624ae9199c3bfd37bc35a1beb7852f', 1, 'gmx::TextOutputStream::close()'],\n-        ['../classgmx_1_1TextWriter.xhtml#aeb5664c1d354a35f621061f73888fb0d', 1, 'gmx::TextWriter::close()']\n+        ['../classgmx_1_1TextReader.xhtml#a832ce4203c67ac5b86859954c8c96b8f', 1, 'gmx::TextReader::close()'],\n+        ['../classgmx_1_1TextInputStream.xhtml#ad8b5700fa45d4eb69105238d9fdfaca7', 1, 'gmx::TextInputStream::close()']\n     ]],\n     ['close_5fsymtab_599', ['close_symtab', ['../symtab_8h.xhtml#ac1312ed27b85821cdccb3980d81f8026', 1, 'symtab.h']]],\n     ['closeafterforcecomputationcpu_600', ['closeAfterForceComputationCpu', ['../classDDBalanceRegionHandler.xhtml#a9bc7829dd33672815fe2aedb19c9e694', 1, 'DDBalanceRegionHandler']]],\n     ['closeafterforcecomputationgpu_601', ['closeAfterForceComputationGpu', ['../classDDBalanceRegionHandler.xhtml#abadc78a643b88af716117f0b46ba5473', 1, 'DDBalanceRegionHandler']]],\n     ['closelogfile_602', ['closeLogFile', ['../namespacegmx.xhtml#a3f56998ae7a3341da06ae004304cf59a', 1, 'gmx']]],\n     ['closestintegerpoint_603', ['closestIntegerPoint', ['../namespacegmx_1_1anonymous__namespace_02gausstransform_8cpp_03.xhtml#ac925f65cbdb7cead0786b53978e1b525', 1, 'gmx::anonymous_namespace{gausstransform.cpp}']]],\n-    ['closetimingregion_604', ['closetimingregion', ['../classGpuRegionTimerWrapper.xhtml#a5ca4467b5e552f30d68ab47a6b232a15', 1, 'GpuRegionTimerWrapper::closeTimingRegion()'],\n-        ['../classGpuRegionTimerImpl.xhtml#aeb3038f3162054db1b0545b5a091bd08', 1, 'GpuRegionTimerImpl::closeTimingRegion()']\n+    ['closetimingregion_604', ['closetimingregion', ['../classGpuRegionTimerImpl.xhtml#aeb3038f3162054db1b0545b5a091bd08', 1, 'GpuRegionTimerImpl::closeTimingRegion()'],\n+        ['../classGpuRegionTimerWrapper.xhtml#a5ca4467b5e552f30d68ab47a6b232a15', 1, 'GpuRegionTimerWrapper::closeTimingRegion()']\n     ]],\n     ['cluster_20non_20bonded_20algorithm_605', ['The NxM atom-cluster non-bonded algorithm', ['../page_nbnxm.xhtml', 1, 'index']]],\n     ['clusterboundingboxdistance2_606', ['clusterBoundingBoxDistance2', ['../namespacegmx.xhtml#a2ccdf8ae57a26daaf6f5db537d6ea54e', 1, 'gmx']]],\n     ['clusterdistancekerneltype_607', ['ClusterDistanceKernelType', ['../namespacegmx.xhtml#a3f42ed0b9f4da1face257003c06bfddb', 1, 'gmx']]],\n     ['clusterdistancekerneltype_2eh_608', ['clusterdistancekerneltype.h', ['../clusterdistancekerneltype_8h.xhtml', 1, '']]],\n     ['clusterflags_609', ['clusterFlags', ['../classgmx_1_1Grid.xhtml#ac63e6850975655ffc43ebd93d50dd318', 1, 'gmx::Grid']]],\n     ['clusterisperturbed_610', ['clusterIsPerturbed', ['../classgmx_1_1Grid.xhtml#a4b81fbe012e27d59e6403066546e96f1', 1, 'gmx::Grid']]],\n     ['clusters_20of_20warps_611', ['of packed j clusters * # of warps', ['../classgmx_1_1GpuPairlist.xhtml#autotoc_md108', 1, '']]],\n     ['clustsize_2ecpp_612', ['clustsize.cpp', ['../clustsize_8cpp.xhtml', 1, '']]],\n-    ['cmaincommandlinemodule_613', ['cmaincommandlinemodule', ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#a6f18d9768b76bfe7baa2d7edded17697', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::CMainCommandLineModule()']\n+    ['cmaincommandlinemodule_613', ['cmaincommandlinemodule', ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#a6f18d9768b76bfe7baa2d7edded17697', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::CMainCommandLineModule()'],\n+        ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule']\n     ]],\n-    ['cmainfunction_614', ['cmainfunction', ['../classgmx_1_1CommandLineModuleManager.xhtml#a68f43fb951aeecbeb60c81dd8701f921', 1, 'gmx::CommandLineModuleManager::CMainFunction'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#aa280311ece46f8039e8f85c4a4ab069a', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::CMainFunction']\n+    ['cmainfunction_614', ['cmainfunction', ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#aa280311ece46f8039e8f85c4a4ab069a', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::CMainFunction'],\n+        ['../classgmx_1_1CommandLineModuleManager.xhtml#a68f43fb951aeecbeb60c81dd8701f921', 1, 'gmx::CommandLineModuleManager::CMainFunction']\n     ]],\n     ['cmake_20tt_20find_5fpackage_20gromacs_20tt_20details_615', ['CMake &lt;tt&gt;find_package(GROMACS)&lt;/tt&gt; details', ['../page_usinglibrary.xhtml#autotoc_md104', 1, '']]],\n     ['cmap_616', ['cmap', ['../structInteractionsOfType.xhtml#a5f0efc5bc0b4fc4e1340124ba018be82', 1, 'InteractionsOfType::cmap'],\n         ['../structgmx__cmapdata__t.xhtml#a84746eed9cc32f714ec10dbe675847d7', 1, 'gmx_cmapdata_t::cmap']\n     ]],\n     ['cmap_5fcoeff_5fmatrix_617', ['cmap_coeff_matrix', ['../namespaceanonymous__namespace_02bonded_8cpp_03.xhtml#a190c75eabdb2aee14d27ec1e104e40b4', 1, 'anonymous_namespace{bonded.cpp}']]],\n-    ['cmap_5fdihs_618', ['cmap_dihs', ['../bonded_8cpp.xhtml#aa5ccd16bc6fca5281ec8404a2fb64037', 1, 'cmap_dihs(int nbonds, const t_iatom forceatoms[], const t_iparams forceparams[], const gmx_cmap_t *cmap_grid, const rvec x[], rvec4 f[], rvec fshift[], const struct t_pbc *pbc, real gmx_unused lambda, real gmx_unused *dvdlambda, gmx::ArrayRef&lt; const real &gt;, t_fcdata gmx_unused *fcd, t_disresdata gmx_unused *disresdata, t_oriresdata gmx_unused *oriresdata, int gmx_unused *global_atom_index):&#160;bonded.cpp'],\n-        ['../bonded_8h.xhtml#aa5ccd16bc6fca5281ec8404a2fb64037', 1, 'cmap_dihs(int nbonds, const t_iatom forceatoms[], const t_iparams forceparams[], const gmx_cmap_t *cmap_grid, const rvec x[], rvec4 f[], rvec fshift[], const struct t_pbc *pbc, real gmx_unused lambda, real gmx_unused *dvdlambda, gmx::ArrayRef&lt; const real &gt;, t_fcdata gmx_unused *fcd, t_disresdata gmx_unused *disresdata, t_oriresdata gmx_unused *oriresdata, int gmx_unused *global_atom_index):&#160;bonded.cpp']\n+    ['cmap_5fdihs_618', ['cmap_dihs', ['../bonded_8h.xhtml#aa5ccd16bc6fca5281ec8404a2fb64037', 1, 'cmap_dihs(int nbonds, const t_iatom forceatoms[], const t_iparams forceparams[], const gmx_cmap_t *cmap_grid, const rvec x[], rvec4 f[], rvec fshift[], const struct t_pbc *pbc, real gmx_unused lambda, real gmx_unused *dvdlambda, gmx::ArrayRef&lt; const real &gt;, t_fcdata gmx_unused *fcd, t_disresdata gmx_unused *disresdata, t_oriresdata gmx_unused *oriresdata, int gmx_unused *global_atom_index):&#160;bonded.cpp'],\n+        ['../bonded_8cpp.xhtml#aa5ccd16bc6fca5281ec8404a2fb64037', 1, 'cmap_dihs(int nbonds, const t_iatom forceatoms[], const t_iparams forceparams[], const gmx_cmap_t *cmap_grid, const rvec x[], rvec4 f[], rvec fshift[], const struct t_pbc *pbc, real gmx_unused lambda, real gmx_unused *dvdlambda, gmx::ArrayRef&lt; const real &gt;, t_fcdata gmx_unused *fcd, t_disresdata gmx_unused *disresdata, t_oriresdata gmx_unused *oriresdata, int gmx_unused *global_atom_index):&#160;bonded.cpp']\n     ]],\n     ['cmap_5fgrid_619', ['cmap_grid', ['../structgmx__ffparams__t.xhtml#ac2e74e19f8bfd1f20b5bba03606e8784', 1, 'gmx_ffparams_t::cmap_grid'],\n         ['../classInteractionDefinitions.xhtml#a7ee9453681c3fe520371511fd663b2cb', 1, 'InteractionDefinitions::cmap_grid']\n     ]],\n     ['cmap_5fsetup_5fgrid_5findex_620', ['cmap_setup_grid_index', ['../namespaceanonymous__namespace_02bonded_8cpp_03.xhtml#ab633656da7c571ef07545dc40d63e57c', 1, 'anonymous_namespace{bonded.cpp}']]],\n     ['cmapatomtypes_621', ['cmapAtomTypes', ['../structInteractionsOfType.xhtml#a6bded5f13e80427d245ffd81766e75b6', 1, 'InteractionsOfType']]],\n     ['cmapdata_622', ['cmapdata', ['../structgmx__cmap__t.xhtml#aa9e7f26ea95886d0fa833eed83cae1ca', 1, 'gmx_cmap_t']]],\n@@ -940,56 +940,56 @@\n     ['cmaprestypes_5f_624', ['cmapResTypes_', ['../structInteractionsOfType.xhtml#a1d8c4755ad9aa601d01712f8497cffd6', 1, 'InteractionsOfType']]],\n     ['cmdlinehelpcontext_2ecpp_625', ['cmdlinehelpcontext.cpp', ['../cmdlinehelpcontext_8cpp.xhtml', 1, '']]],\n     ['cmdlinehelpcontext_2eh_626', ['cmdlinehelpcontext.h', ['../cmdlinehelpcontext_8h.xhtml', 1, '']]],\n     ['cmdlinehelpmodule_2ecpp_627', ['cmdlinehelpmodule.cpp', ['../cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpmodule_2eh_628', ['cmdlinehelpmodule.h', ['../cmdlinehelpmodule_8h.xhtml', 1, '']]],\n-    ['cmdlinehelpwriter_2ecpp_629', ['cmdlinehelpwriter.cpp', ['../tests_2cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinehelpwriter_2ecpp_629', ['cmdlinehelpwriter.cpp', ['../cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpwriter_2eh_630', ['cmdlinehelpwriter.h', ['../cmdlinehelpwriter_8h.xhtml', 1, '']]],\n     ['cmdlineinit_2ecpp_631', ['cmdlineinit.cpp', ['../cmdlineinit_8cpp.xhtml', 1, '']]],\n     ['cmdlineinit_2eh_632', ['cmdlineinit.h', ['../cmdlineinit_8h.xhtml', 1, '']]],\n     ['cmdlinemodule_2ecpp_633', ['cmdlinemodule.cpp', ['../cmdlinemodule_8cpp.xhtml', 1, '']]],\n     ['cmdlinemodule_2eh_634', ['cmdlinemodule.h', ['../cmdlinemodule_8h.xhtml', 1, '']]],\n-    ['cmdlinemodulemanager_2ecpp_635', ['cmdlinemodulemanager.cpp', ['../tests_2cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinemodulemanager_2ecpp_635', ['cmdlinemodulemanager.cpp', ['../cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinemodulemanager_2eh_636', ['cmdlinemodulemanager.h', ['../cmdlinemodulemanager_8h.xhtml', 1, '']]],\n     ['cmdlinemodulemanager_5fimpl_2eh_637', ['cmdlinemodulemanager_impl.h', ['../cmdlinemodulemanager__impl_8h.xhtml', 1, '']]],\n     ['cmdlinemodulemanagertest_2ecpp_638', ['cmdlinemodulemanagertest.cpp', ['../cmdlinemodulemanagertest_8cpp.xhtml', 1, '']]],\n     ['cmdlinemodulemanagertest_2eh_639', ['cmdlinemodulemanagertest.h', ['../cmdlinemodulemanagertest_8h.xhtml', 1, '']]],\n     ['cmdlineoptionsmodule_2ecpp_640', ['cmdlineoptionsmodule.cpp', ['../cmdlineoptionsmodule_8cpp.xhtml', 1, '']]],\n     ['cmdlineoptionsmodule_2eh_641', ['cmdlineoptionsmodule.h', ['../cmdlineoptionsmodule_8h.xhtml', 1, '']]],\n-    ['cmdlineparser_2ecpp_642', ['cmdlineparser.cpp', ['../tests_2cmdlineparser_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlineparser_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlineparser_2ecpp_642', ['cmdlineparser.cpp', ['../cmdlineparser_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlineparser_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlineparser_2eh_643', ['cmdlineparser.h', ['../cmdlineparser_8h.xhtml', 1, '']]],\n-    ['cmdlineprogramcontext_2ecpp_644', ['cmdlineprogramcontext.cpp', ['../tests_2cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlineprogramcontext_2ecpp_644', ['cmdlineprogramcontext.cpp', ['../cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlineprogramcontext_2eh_645', ['cmdlineprogramcontext.h', ['../cmdlineprogramcontext_8h.xhtml', 1, '']]],\n-    ['cmdlinerunner_2ecpp_646', ['cmdlinerunner.cpp', ['../tests_2cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinerunner_2ecpp_646', ['cmdlinerunner.cpp', ['../cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinerunner_2eh_647', ['cmdlinerunner.h', ['../cmdlinerunner_8h.xhtml', 1, '']]],\n     ['cmdlinetest_2ecpp_648', ['cmdlinetest.cpp', ['../cmdlinetest_8cpp.xhtml', 1, '']]],\n     ['cmdlinetest_2eh_649', ['cmdlinetest.h', ['../cmdlinetest_8h.xhtml', 1, '']]],\n     ['cmp_5fallocint_650', ['CMP_ALLOCINT', ['../sm__compare_8cpp.xhtml#a4f4ba35b0b3b93173ad262cd7b6d59cb', 1, 'sm_compare.cpp']]],\n     ['cmp_5fallocreal_651', ['CMP_ALLOCREAL', ['../sm__compare_8cpp.xhtml#a5d14f88d7ee31f8fb0451395cd89dd6d', 1, 'sm_compare.cpp']]],\n     ['cmp_5fbool_652', ['cmp_bool', ['../compare_8h.xhtml#a151a02094025c95b0e5ada42d034a50d', 1, 'compare.cpp']]],\n     ['cmp_5fdouble_653', ['cmp_double', ['../compare_8h.xhtml#abcdecc58d66dc4f819b609f1cc3cc401', 1, 'compare.cpp']]],\n     ['cmp_5fdynamicval_654', ['CMP_DYNAMICVAL', ['../sm__compare_8cpp.xhtml#a8ca48e4b031ed599140d615f85f47506', 1, 'sm_compare.cpp']]],\n     ['cmp_5fequal_655', ['CMP_EQUAL', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5a69017e915c3273f6c77dc13aefd5bd0e', 1, 'sm_compare.cpp']]],\n     ['cmp_5ffloat_656', ['cmp_float', ['../compare_8h.xhtml#a171d30057fc5d5f8c8906f4dd6038493', 1, 'compare.cpp']]],\n     ['cmp_5fgeq_657', ['CMP_GEQ', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5acbf87d65ff27dd11d09c3d4168ec5690', 1, 'sm_compare.cpp']]],\n     ['cmp_5fgtr_658', ['CMP_GTR', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5a952a8220aefbeb820d9f2a57385004e8', 1, 'sm_compare.cpp']]],\n-    ['cmp_5fint_659', ['cmp_int', ['../sm__same_8cpp.xhtml#a82a2e753c2e346d29922e3cdd0c4ca5c', 1, 'cmp_int(const void *a, const void *b):&#160;sm_same.cpp'],\n-        ['../compare_8h.xhtml#a1e519a5d570e44d59de87a99c1850319', 1, 'cmp_int(FILE *fp, const char *s, int index, int i1, int i2):&#160;compare.cpp']\n+    ['cmp_5fint_659', ['cmp_int', ['../compare_8h.xhtml#a1e519a5d570e44d59de87a99c1850319', 1, 'cmp_int(FILE *fp, const char *s, int index, int i1, int i2):&#160;compare.cpp'],\n+        ['../sm__same_8cpp.xhtml#a82a2e753c2e346d29922e3cdd0c4ca5c', 1, 'cmp_int(const void *a, const void *b):&#160;sm_same.cpp']\n     ]],\n     ['cmp_5fint64_660', ['cmp_int64', ['../compare_8h.xhtml#a3b847f3e43f4505e069444afc4d9afa0', 1, 'compare.cpp']]],\n     ['cmp_5finvalid_661', ['CMP_INVALID', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5ac8fc7c0cd25967ec80612d13f43920c8', 1, 'sm_compare.cpp']]],\n     ['cmp_5fleq_662', ['CMP_LEQ', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5a21a9f335526f7cccf3be617fd69b1997', 1, 'sm_compare.cpp']]],\n     ['cmp_5fless_663', ['CMP_LESS', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5a2eb13396f22cd506d8a87dd21d92a134', 1, 'sm_compare.cpp']]],\n     ['cmp_5fneq_664', ['CMP_NEQ', ['../sm__compare_8cpp.xhtml#a4c494127cd83d1f0dae8853a278569b5acff35e061674951fc02df39f1ecd189f', 1, 'sm_compare.cpp']]],\n     ['cmp_5frange_665', ['cmp_range', ['../params_8cpp.xhtml#aa9ad066a4e400922e4e51759d3e239a1', 1, 'params.cpp']]],\n@@ -1018,17 +1018,17 @@\n     ['cogforatom_684', ['cogForAtom', ['../classgmx_1_1UpdateGroupsCog.xhtml#aa5f5e75ffb0d70b59d7b76ac6d1bccda', 1, 'gmx::UpdateGroupsCog']]],\n     ['cogindex_685', ['cogIndex', ['../classgmx_1_1UpdateGroupsCog.xhtml#a14b952a48a67984b2d1f9281c5aae11b', 1, 'gmx::UpdateGroupsCog']]],\n     ['cogisfillerparticle_686', ['cogIsFillerParticle', ['../classgmx_1_1UpdateGroupsCog.xhtml#a2782b7dcc5d546da1fb6732ba0f6307f', 1, 'gmx::UpdateGroupsCog']]],\n     ['coll_687', ['coll', ['../structgmx__ana__poscalc__t.xhtml#ab52044417dbe424a3c5bd2b60b646732', 1, 'gmx_ana_poscalc_t']]],\n     ['collect_2eh_688', ['collect.h', ['../collect_8h.xhtml', 1, '']]],\n     ['collection_5f_689', ['collection_', ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#aa3ec842ccc6713ae73ca450fe8c27216', 1, 'gmx::SelectionOptionManager::Impl']]],\n     ['collectiveindex_690', ['collectiveIndex', ['../classgmx_1_1LocalAtomSet.xhtml#aeae3c1065fe5a7a7ea923da0c459e762', 1, 'gmx::LocalAtomSet']]],\n-    ['columncount_691', ['columncount', ['../classgmx_1_1test_1_1AnalysisDataTestInput.xhtml#a0434799b8d00516e2adcc607a0634f56', 1, 'gmx::test::AnalysisDataTestInput::columnCount()'],\n-        ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a5cbf590138d0862b2f9a0cb6032533d5', 1, 'gmx::AnalysisDataFrameAverager::columnCount()'],\n+    ['columncount_691', ['columncount', ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a5cbf590138d0862b2f9a0cb6032533d5', 1, 'gmx::AnalysisDataFrameAverager::columnCount()'],\n         ['../classgmx_1_1AnalysisDataStorageFrame.xhtml#a73e7a5e0885ea5926dcae97c90c7e632', 1, 'gmx::AnalysisDataStorageFrame::columnCount()'],\n+        ['../classgmx_1_1test_1_1AnalysisDataTestInput.xhtml#a0434799b8d00516e2adcc607a0634f56', 1, 'gmx::test::AnalysisDataTestInput::columnCount()'],\n         ['../classgmx_1_1AbstractAnalysisData.xhtml#a17311939de0c51ac706045ef66bcf954', 1, 'gmx::AbstractAnalysisData::columnCount(int dataSet) const'],\n         ['../classgmx_1_1AbstractAnalysisData.xhtml#a8313ad257a8ac9de2f8586ff0a383b73', 1, 'gmx::AbstractAnalysisData::columnCount() const'],\n         ['../classgmx_1_1AnalysisDataPointSetRef.xhtml#a4da78cf2fa943454a153d823615635d4', 1, 'gmx::AnalysisDataPointSetRef::columnCount()']\n     ]],\n     ['columncounts_5f_692', ['columnCounts_', ['../classgmx_1_1AbstractAnalysisData_1_1Impl.xhtml#ae6b8d50e6399628ee75add19bb01fe4c', 1, 'gmx::AbstractAnalysisData::Impl']]],\n     ['columndata_693', ['columndata', ['../structgmx_1_1TextTableFormatter_1_1Impl_1_1ColumnData.xhtml', 1, 'gmx::TextTableFormatter::Impl::ColumnData'],\n         ['../classgmx_1_1TextTableFormatter_1_1Impl.xhtml#abd5eab1f53918e88eaf6f85967c095c7', 1, 'gmx::TextTableFormatter::Impl::columnData(int index)'],\n@@ -1039,46 +1039,46 @@\n     ['columnlist_695', ['ColumnList', ['../classgmx_1_1TextTableFormatter_1_1Impl.xhtml#a0043d139b3d909e5253fb471db83dec2', 1, 'gmx::TextTableFormatter::Impl']]],\n     ['columnrowsectionstart_5f_696', ['columnRowSectionStart_', ['../structgmx_1_1MrcDensityMapHeader.xhtml#ac1e9b0d0a9ab44e2d5dbcaa7aff81516', 1, 'gmx::MrcDensityMapHeader']]],\n     ['columnrowsectiontoxyz_5f_697', ['columnRowSectionToXyz_', ['../structgmx_1_1MrcDensityMapHeader.xhtml#a8b4274c85240707c9b56f65a33c2219b', 1, 'gmx::MrcDensityMapHeader']]],\n     ['columns_5f_698', ['columns_', ['../classgmx_1_1TextTableFormatter_1_1Impl.xhtml#a38cb6aa1525b0eb729f1a24c19c63d34', 1, 'gmx::TextTableFormatter::Impl']]],\n     ['columnsreceived_699', ['columnsReceived', ['../classgmx_1_1DomainCommForward.xhtml#a916effaa33e6231586c4b961b0b13dad', 1, 'gmx::DomainCommForward']]],\n     ['columnstosend_700', ['columnsToSend', ['../classgmx_1_1DomainCommBackward.xhtml#a2f11af96a78e031f85db11e9baff4f66', 1, 'gmx::DomainCommBackward']]],\n     ['colvarproxy_5fgromacs_5fversion_2eh_701', ['colvarproxy_gromacs_version.h', ['../colvarproxy__gromacs__version_8h.xhtml', 1, '']]],\n-    ['colvarproxygromacs_702', ['colvarproxygromacs', ['../classgmx_1_1ColvarProxyGromacs.xhtml#a49f8b4229e2fce33c20747250e043610', 1, 'gmx::ColvarProxyGromacs::ColvarProxyGromacs()'],\n-        ['../classgmx_1_1ColvarProxyGromacs.xhtml', 1, 'gmx::ColvarProxyGromacs']\n+    ['colvarproxygromacs_702', ['colvarproxygromacs', ['../classgmx_1_1ColvarProxyGromacs.xhtml', 1, 'gmx::ColvarProxyGromacs'],\n+        ['../classgmx_1_1ColvarProxyGromacs.xhtml#a49f8b4229e2fce33c20747250e043610', 1, 'gmx::ColvarProxyGromacs::ColvarProxyGromacs()']\n     ]],\n     ['colvarproxygromacs_2ecpp_703', ['colvarproxygromacs.cpp', ['../colvarproxygromacs_8cpp.xhtml', 1, '']]],\n     ['colvarproxygromacs_2eh_704', ['colvarproxygromacs.h', ['../colvarproxygromacs_8h.xhtml', 1, '']]],\n     ['colvars_2ecpp_705', ['colvars.cpp', ['../colvars_8cpp.xhtml', 1, '']]],\n     ['colvarsatomcoords_706', ['colvarsAtomCoords', ['../classgmx_1_1ColvarsOptions.xhtml#a698f69c97138efa82e6dcbe5c46cab83', 1, 'gmx::ColvarsOptions']]],\n     ['colvarsconfigcontent_707', ['colvarsConfigContent', ['../classgmx_1_1ColvarsOptions.xhtml#a2f4da1bfb7f70104ae4e0f04326f4c92', 1, 'gmx::ColvarsOptions']]],\n     ['colvarsenstemp_708', ['colvarsEnsTemp', ['../classgmx_1_1ColvarsOptions.xhtml#acef601dd026f99cc9903101d4a55a063', 1, 'gmx::ColvarsOptions']]],\n     ['colvarsfilename_709', ['colvarsFileName', ['../classgmx_1_1ColvarsOptions.xhtml#a492a802e8110c023183b24816e1e9c63', 1, 'gmx::ColvarsOptions']]],\n     ['colvarsforceprovider_710', ['colvarsforceprovider', ['../classgmx_1_1ColvarsForceProvider.xhtml', 1, 'gmx::ColvarsForceProvider'],\n         ['../classgmx_1_1ColvarsForceProvider.xhtml#a3ee0e5544bc98bd8b1b8e7cb97462992', 1, 'gmx::ColvarsForceProvider::ColvarsForceProvider()']\n     ]],\n-    ['colvarsforceprovider_2ecpp_711', ['colvarsforceprovider.cpp', ['../tests_2colvarsforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../colvarsforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['colvarsforceprovider_2ecpp_711', ['colvarsforceprovider.cpp', ['../colvarsforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2colvarsforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['colvarsforceprovider_2eh_712', ['colvarsforceprovider.h', ['../colvarsforceprovider_8h.xhtml', 1, '']]],\n     ['colvarsforceproviderstate_713', ['ColvarsForceProviderState', ['../structgmx_1_1ColvarsForceProviderState.xhtml', 1, 'gmx']]],\n     ['colvarsinputfiles_714', ['colvarsInputFiles', ['../classgmx_1_1ColvarsOptions.xhtml#acfb0cbd2024f2402f55d5b24b4135f68', 1, 'gmx::ColvarsOptions']]],\n-    ['colvarsmdmodule_715', ['colvarsmdmodule', ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml#a0fc853db647af0d2368102ecc62d15b0', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule::ColvarsMDModule()'],\n-        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule'],\n+    ['colvarsmdmodule_715', ['colvarsmdmodule', ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule'],\n         ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule'],\n-        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml#abde6a2f4c59d909cf0bfccc9952c914f', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule::ColvarsMDModule()']\n+        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml#abde6a2f4c59d909cf0bfccc9952c914f', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule::ColvarsMDModule()'],\n+        ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml#a0fc853db647af0d2368102ecc62d15b0', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule::ColvarsMDModule()']\n     ]],\n     ['colvarsmdmodule_2ecpp_716', ['colvarsMDModule.cpp', ['../colvarsMDModule_8cpp.xhtml', 1, '']]],\n     ['colvarsmdmodule_2eh_717', ['colvarsMDModule.h', ['../colvarsMDModule_8h.xhtml', 1, '']]],\n     ['colvarsmdmodule_5fstub_2ecpp_718', ['colvarsMDModule_stub.cpp', ['../colvarsMDModule__stub_8cpp.xhtml', 1, '']]],\n     ['colvarsmdptransformfromstring_719', ['colvarsMdpTransformFromString', ['../namespacegmx_1_1anonymous__namespace_02colvarsoptions_8cpp_03.xhtml#a56fb5108ef86a957d566d6fb2c8a8aa5', 1, 'gmx::anonymous_namespace{colvarsoptions.cpp}']]],\n     ['colvarsmoduleinfo_720', ['ColvarsModuleInfo', ['../structgmx_1_1ColvarsModuleInfo.xhtml', 1, 'gmx']]],\n     ['colvarsoptions_721', ['ColvarsOptions', ['../classgmx_1_1ColvarsOptions.xhtml', 1, 'gmx']]],\n-    ['colvarsoptions_2ecpp_722', ['colvarsoptions.cpp', ['../colvarsoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2colvarsoptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['colvarsoptions_2ecpp_722', ['colvarsoptions.cpp', ['../tests_2colvarsoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../colvarsoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['colvarsoptions_2eh_723', ['colvarsoptions.h', ['../colvarsoptions_8h.xhtml', 1, '']]],\n     ['colvarsoutputprefix_724', ['colvarsOutputPrefix', ['../classgmx_1_1ColvarsOptions.xhtml#ac6d002e2e7edd7ba5e1f4759a2d1a475', 1, 'gmx::ColvarsOptions']]],\n     ['colvarspreprocessor_725', ['colvarspreprocessor', ['../classgmx_1_1ColvarsPreProcessor.xhtml#a3e7c8574d9391b004c07b4603dce6382', 1, 'gmx::ColvarsPreProcessor::ColvarsPreProcessor()'],\n         ['../classgmx_1_1ColvarsPreProcessor.xhtml', 1, 'gmx::ColvarsPreProcessor']\n     ]],\n     ['colvarspreprocessor_2ecpp_726', ['colvarspreprocessor.cpp', ['../tests_2colvarspreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n@@ -1087,16 +1087,16 @@\n     ['colvarspreprocessor_2eh_727', ['colvarspreprocessor.h', ['../colvarspreprocessor_8h.xhtml', 1, '']]],\n     ['colvarsseed_728', ['colvarsSeed', ['../classgmx_1_1ColvarsOptions.xhtml#a99f2e73ec955d68ec64e441312641f2b', 1, 'gmx::ColvarsOptions']]],\n     ['colvarssimulationsparameters_729', ['ColvarsSimulationsParameters', ['../classgmx_1_1ColvarsSimulationsParameters.xhtml', 1, 'gmx']]],\n     ['colvarssimulationsparameters_2ecpp_730', ['colvarssimulationsparameters.cpp', ['../colvarssimulationsparameters_8cpp.xhtml', 1, '']]],\n     ['colvarssimulationsparameters_2eh_731', ['colvarssimulationsparameters.h', ['../colvarssimulationsparameters_8h.xhtml', 1, '']]],\n     ['colvarstatefile_5f_732', ['colvarStateFile_', ['../structgmx_1_1ColvarsForceProviderState.xhtml#ace27491b09373178d30d80551a550520', 1, 'gmx::ColvarsForceProviderState']]],\n     ['com_733', ['com', ['../structComSumContents.xhtml#a0064f23738b1bc9dccf726141f7cec49', 1, 'ComSumContents']]],\n-    ['com_2ecpp_734', ['com.cpp', ['../tests_2com_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../com_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['com_2ecpp_734', ['com.cpp', ['../com_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2com_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['com_2eh_735', ['com.h', ['../com_8h.xhtml', 1, '']]],\n     ['combinationrule_736', ['CombinationRule', ['../md__enums_8h.xhtml#a192a1e86909f2db31167de5dbc7df14b', 1, 'md_enums.h']]],\n     ['combine_5fbounding_5fbox_5fpairs_737', ['combine_bounding_box_pairs', ['../namespacegmx.xhtml#a17ca08d83afe14a14dace318495a9702', 1, 'gmx']]],\n     ['combine_5fidef_738', ['combine_idef', ['../localtopology_8cpp.xhtml#a8dd56c7215fef9dc267d50db942d81f6', 1, 'localtopology.cpp']]],\n     ['combineljparams_739', ['combineLJParams', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testsystem_8cpp_03.xhtml#a78b6c94d2cfb87ebc471c374d6984bb0', 1, 'gmx::test::anonymous_namespace{testsystem.cpp}']]],\n     ['combinemtsforces_740', ['combineMtsForces', ['../namespacegmx.xhtml#afcfd8574060f00e6f0c1478a909344f1', 1, 'gmx']]],\n@@ -1110,42 +1110,42 @@\n     ['comm_5fcost_5fest_746', ['comm_cost_est', ['../domdec__setup_8cpp.xhtml#ae96afaac6a68e3a9bb9532b58ca5ebbc', 1, 'domdec_setup.cpp']]],\n     ['comm_5fdd_5fns_5fcell_5fsizes_747', ['comm_dd_ns_cell_sizes', ['../partition_8cpp.xhtml#a208779ee480ab7e34e0fb18f7a7aa8e3', 1, 'partition.cpp']]],\n     ['comm_5fpme_5fcost_5fvol_748', ['comm_pme_cost_vol', ['../domdec__setup_8cpp.xhtml#a20163d5f7438af0d9178e5a056ad928d', 1, 'domdec_setup.cpp']]],\n     ['command_20line_20help_749', ['Command line help', ['../page_wrapperbinary.xhtml#autotoc_md73', 1, '']]],\n     ['command_20line_20manager_750', ['Command line manager', ['../page_wrapperbinary.xhtml#section_wrapperbinary_manager', 1, '']]],\n     ['command_20line_20modules_751', ['Command line modules', ['../page_wrapperbinary.xhtml#autotoc_md72', 1, '']]],\n     ['command_20line_20program_20management_20commandline_752', ['Command Line Program Management (commandline)', ['../group__module__commandline.xhtml', 1, '']]],\n-    ['commandevent_753', ['commandevent', ['../gputraits__sycl_8h.xhtml#a663e5ce3820135c3de8f10e305c57c47', 1, 'CommandEvent:&#160;gputraits_sycl.h'],\n-        ['../gputraits_8h.xhtml#a663e5ce3820135c3de8f10e305c57c47', 1, 'CommandEvent:&#160;gputraits.h'],\n+    ['commandevent_753', ['commandevent', ['../gputraits_8h.xhtml#a663e5ce3820135c3de8f10e305c57c47', 1, 'CommandEvent:&#160;gputraits.h'],\n         ['../gputraits__hip_8h.xhtml#a558a6909581dbcf209aecbd3dc370060', 1, 'CommandEvent:&#160;gputraits_hip.h'],\n-        ['../gputraits__ocl_8h.xhtml#ace79591edaabf76b14c7669b00b27c8c', 1, 'CommandEvent:&#160;gputraits_ocl.h']\n+        ['../gputraits__ocl_8h.xhtml#ace79591edaabf76b14c7669b00b27c8c', 1, 'CommandEvent:&#160;gputraits_ocl.h'],\n+        ['../gputraits__sycl_8h.xhtml#a663e5ce3820135c3de8f10e305c57c47', 1, 'CommandEvent:&#160;gputraits_sycl.h']\n     ]],\n     ['commandline_754', ['commandline', ['../group__module__commandline.xhtml', 1, 'Command Line Program Management (commandline)'],\n-        ['../classgmx_1_1test_1_1CommandLine.xhtml#ad84efc35ba3d2ec63a83cb8e59e353c4', 1, 'gmx::test::CommandLine::CommandLine(const ArrayRef&lt; const char *const &gt; &amp;cmdline)'],\n-        ['../classgmx_1_1test_1_1CommandLine.xhtml#a22a93cd63c334aa73c33bc04dc553111', 1, 'gmx::test::CommandLine::CommandLine()'],\n         ['../classgmx_1_1IProgramContext.xhtml#aa2a3f00e52e7ef163a122b71051c853d', 1, 'gmx::IProgramContext::commandLine()'],\n         ['../classgmx_1_1anonymous__namespace_02programcontext_8cpp_03_1_1DefaultProgramContext.xhtml#a383399fda9d8cc26e9152abd935d94ee', 1, 'gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext::commandLine()'],\n-        ['../classgmx_1_1test_1_1CommandLineTestBase.xhtml#aba2831a576c464327206ea473da28142', 1, 'gmx::test::CommandLineTestBase::commandLine()'],\n+        ['../classgmx_1_1test_1_1CommandLine.xhtml#ad84efc35ba3d2ec63a83cb8e59e353c4', 1, 'gmx::test::CommandLine::CommandLine(const ArrayRef&lt; const char *const &gt; &amp;cmdline)'],\n+        ['../classgmx_1_1test_1_1CommandLine.xhtml#a22a93cd63c334aa73c33bc04dc553111', 1, 'gmx::test::CommandLine::CommandLine()'],\n         ['../group__module__commandline.xhtml#gaa102b867171888b43acb07b91c84ecb2', 1, 'gmx::CommandLineProgramContext::commandLine()'],\n-        ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a394e045e3ea7eddeffb6c8ff17de390c', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::commandLine()'],\n-        ['../classgmx_1_1test_1_1CommandLine.xhtml#a6a4690a0f5f9bca11ea361b1e536387a', 1, 'gmx::test::CommandLine::CommandLine(const CommandLine &amp;other)'],\n-        ['../classgmx_1_1test_1_1CommandLine.xhtml#ad6b75c47633726d843527314031c3627', 1, 'gmx::test::CommandLine::CommandLine(const ArrayRef&lt; const std::string &gt; &amp;cmdline)'],\n-        ['../classgmx_1_1test_1_1CommandLine.xhtml', 1, 'gmx::test::CommandLine']\n+        ['../classgmx_1_1test_1_1CommandLine.xhtml#ad6b75c47633726d843527314031c3627', 1, 'gmx::test::CommandLine::CommandLine()'],\n+        ['../classgmx_1_1test_1_1CommandLineTestBase.xhtml#aba2831a576c464327206ea473da28142', 1, 'gmx::test::CommandLineTestBase::commandLine()'],\n+        ['../classgmx_1_1test_1_1CommandLine.xhtml', 1, 'gmx::test::CommandLine'],\n+        ['../classgmx_1_1test_1_1CommandLine.xhtml#a6a4690a0f5f9bca11ea361b1e536387a', 1, 'gmx::test::CommandLine::CommandLine()'],\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a394e045e3ea7eddeffb6c8ff17de390c', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::commandLine()']\n     ]],\n     ['commandlinecommonoptionsholder_755', ['CommandLineCommonOptionsHolder', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml', 1, 'gmx']]],\n     ['commandlineformdrun_5f_756', ['commandLineForMdrun_', ['../classgmx_1_1test_1_1DensityFittingTest.xhtml#abe7c342f1f88e7d465277c6f6507bbf0', 1, 'gmx::test::DensityFittingTest']]],\n-    ['commandlinehelpcontext_757', ['commandlinehelpcontext', ['../classgmx_1_1CommandLineHelpContext.xhtml#ab8207805a678bb8af28415fb50d1dea0', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext()'],\n+    ['commandlinehelpcontext_757', ['commandlinehelpcontext', ['../classgmx_1_1CommandLineHelpContext.xhtml#aed5e0742de34e9852b1756419533a084', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext()'],\n         ['../classgmx_1_1CommandLineHelpContext.xhtml', 1, 'gmx::CommandLineHelpContext'],\n-        ['../classgmx_1_1CommandLineHelpContext.xhtml#aed5e0742de34e9852b1756419533a084', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(CommandLineHelpContext &amp;&amp;other) noexcept'],\n         ['../classgmx_1_1CommandLineHelpContext.xhtml#a727823bb084a68767593e9640fd6f564', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(const CommandLineHelpContext &amp;other)'],\n-        ['../classgmx_1_1CommandLineHelpContext.xhtml#ad7f9fbd02b30848a7a1e01594e42b02a', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(ShellCompletionWriter *writer)'],\n-        ['../classgmx_1_1CommandLineHelpContext.xhtml#a11a70b944da6e9349d44672830782d0d', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(TextWriter *writer, HelpOutputFormat format, const HelpLinks *links, const std::string &amp;programName)']\n+        ['../classgmx_1_1CommandLineHelpContext.xhtml#a11a70b944da6e9349d44672830782d0d', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(TextWriter *writer, HelpOutputFormat format, const HelpLinks *links, const std::string &amp;programName)'],\n+        ['../classgmx_1_1CommandLineHelpContext.xhtml#ab8207805a678bb8af28415fb50d1dea0', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(const HelpWriterContext &amp;writerContext)'],\n+        ['../classgmx_1_1CommandLineHelpContext.xhtml#ad7f9fbd02b30848a7a1e01594e42b02a', 1, 'gmx::CommandLineHelpContext::CommandLineHelpContext(ShellCompletionWriter *writer)']\n     ]],\n-    ['commandlinehelpmodule_758', ['commandlinehelpmodule', ['../classgmx_1_1CommandLineHelpModule.xhtml#a5a9d0730865fd24ceeac309fe74ec279', 1, 'gmx::CommandLineHelpModule::CommandLineHelpModule()'],\n-        ['../classgmx_1_1CommandLineHelpModule.xhtml', 1, 'gmx::CommandLineHelpModule']\n+    ['commandlinehelpmodule_758', ['commandlinehelpmodule', ['../classgmx_1_1CommandLineHelpModule.xhtml', 1, 'gmx::CommandLineHelpModule'],\n+        ['../classgmx_1_1CommandLineHelpModule.xhtml#a5a9d0730865fd24ceeac309fe74ec279', 1, 'gmx::CommandLineHelpModule::CommandLineHelpModule()']\n     ]],\n     ['commandlinehelpmoduletest_759', ['CommandLineHelpModuleTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03.xhtml#a46b4e259ee92129c78447f5b751b2230', 1, 'gmx::test::anonymous_namespace{cmdlinehelpmodule.cpp}']]],\n     ['commandlinehelpwriter_760', ['commandlinehelpwriter', ['../classgmx_1_1CommandLineHelpWriter.xhtml', 1, 'gmx::CommandLineHelpWriter'],\n         ['../classgmx_1_1CommandLineHelpWriter.xhtml#ac17d0cb5bda85d09dec3a4878e1780fe', 1, 'gmx::CommandLineHelpWriter::CommandLineHelpWriter()']\n     ]],\n     ['commandlinemodulegroup_761', ['commandlinemodulegroup', ['../classgmx_1_1CommandLineModuleGroup.xhtml', 1, 'gmx::CommandLineModuleGroup'],\n         ['../classgmx_1_1CommandLineModuleGroup.xhtml#ae2a8a32699c5b6ae6ab3f3316cdc1117', 1, 'gmx::CommandLineModuleGroup::CommandLineModuleGroup()']\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -485,19 +485,19 @@\n     ['densityfittingoutputprovider_295', ['DensityFittingOutputProvider', ['../classgmx_1_1DensityFittingOutputProvider.xhtml', 1, 'gmx']]],\n     ['densityfittingoutputprovider_2ecpp_296', ['densityfittingoutputprovider.cpp', ['../densityfittingoutputprovider_8cpp.xhtml', 1, '']]],\n     ['densityfittingoutputprovider_2eh_297', ['densityfittingoutputprovider.h', ['../densityfittingoutputprovider_8h.xhtml', 1, '']]],\n     ['densityfittingparameters_298', ['DensityFittingParameters', ['../structgmx_1_1DensityFittingParameters.xhtml', 1, 'gmx']]],\n     ['densityfittingparameters_2eh_299', ['densityfittingparameters.h', ['../densityfittingparameters_8h.xhtml', 1, '']]],\n     ['densityfittingsimulationparametersetup_300', ['DensityFittingSimulationParameterSetup', ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFittingSimulationParameterSetup.xhtml', 1, 'gmx::anonymous_namespace{densityfitting.cpp}']]],\n     ['densityfittingtest_301', ['DensityFittingTest', ['../classgmx_1_1test_1_1DensityFittingTest.xhtml', 1, 'gmx::test']]],\n-    ['densitysimilaritycrosscorrelation_302', ['densitysimilaritycrosscorrelation', ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml#a4ee22cb21ab72112c8abf3e587e5eccd', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation::DensitySimilarityCrossCorrelation()'],\n-        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation']\n+    ['densitysimilaritycrosscorrelation_302', ['densitysimilaritycrosscorrelation', ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation'],\n+        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityCrossCorrelation.xhtml#a4ee22cb21ab72112c8abf3e587e5eccd', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityCrossCorrelation::DensitySimilarityCrossCorrelation()']\n     ]],\n-    ['densitysimilarityinnerproduct_303', ['densitysimilarityinnerproduct', ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml#a96f37a060eef783e6c336578c6b17ffa', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct::DensitySimilarityInnerProduct()'],\n-        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct']\n+    ['densitysimilarityinnerproduct_303', ['densitysimilarityinnerproduct', ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct'],\n+        ['../classgmx_1_1anonymous__namespace_02densityfit_8cpp_03_1_1DensitySimilarityInnerProduct.xhtml#a96f37a060eef783e6c336578c6b17ffa', 1, 'gmx::anonymous_namespace{densityfit.cpp}::DensitySimilarityInnerProduct::DensitySimilarityInnerProduct()']\n     ]],\n     ['densitysimilaritymeasure_304', ['densitysimilaritymeasure', ['../classgmx_1_1DensitySimilarityMeasure.xhtml#a188a695f4f6981e8e79736214b2dffed', 1, 'gmx::DensitySimilarityMeasure::DensitySimilarityMeasure(DensitySimilarityMeasureMethod method, density referenceDensity)'],\n         ['../classgmx_1_1DensitySimilarityMeasure.xhtml#af093604e59c0ae7d7a00cc06d254b7de', 1, 'gmx::DensitySimilarityMeasure::DensitySimilarityMeasure(DensitySimilarityMeasure &amp;&amp;other) noexcept'],\n         ['../classgmx_1_1DensitySimilarityMeasure.xhtml', 1, 'gmx::DensitySimilarityMeasure'],\n         ['../classgmx_1_1DensitySimilarityMeasure.xhtml#aa928209c9b6274f37b3feb27487982e0', 1, 'gmx::DensitySimilarityMeasure::DensitySimilarityMeasure()']\n     ]],\n     ['densitysimilaritymeasuremethod_305', ['DensitySimilarityMeasureMethod', ['../namespacegmx.xhtml#a659cc27006f5ed7f2ecb076126f0857f', 1, 'gmx']]],\n@@ -584,16 +584,16 @@\n     ['device_5fcontext_5focl_2ecpp_353', ['device_context_ocl.cpp', ['../device__context__ocl_8cpp.xhtml', 1, '']]],\n     ['device_5fcontext_5fsycl_2ecpp_354', ['device_context_sycl.cpp', ['../device__context__sycl_8cpp.xhtml', 1, '']]],\n     ['device_5fevent_2eh_355', ['device_event.h', ['../device__event_8h.xhtml', 1, '']]],\n     ['device_5fevent_5fhip_2eh_356', ['device_event_hip.h', ['../device__event__hip_8h.xhtml', 1, '']]],\n     ['device_5fevent_5focl_2eh_357', ['device_event_ocl.h', ['../device__event__ocl_8h.xhtml', 1, '']]],\n     ['device_5fevent_5fsycl_2eh_358', ['device_event_sycl.h', ['../device__event__sycl_8h.xhtml', 1, '']]],\n     ['device_5finformation_2eh_359', ['device_information.h', ['../device__information_8h.xhtml', 1, '']]],\n-    ['device_5fmanagement_2ecpp_360', ['device_management.cpp', ['../tests_2device__management_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../device__management_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['device_5fmanagement_2ecpp_360', ['device_management.cpp', ['../device__management_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2device__management_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['device_5fmanagement_2eh_361', ['device_management.h', ['../device__management_8h.xhtml', 1, '']]],\n     ['device_5fmanagement_5fcommon_2ecpp_362', ['device_management_common.cpp', ['../device__management__common_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fhip_2ecpp_363', ['device_management_hip.cpp', ['../device__management__hip_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5focl_2ecpp_364', ['device_management_ocl.cpp', ['../device__management__ocl_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fshared_5famd_2ecpp_365', ['device_management_shared_amd.cpp', ['../device__management__shared__amd_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fshared_5famd_2eh_366', ['device_management_shared_amd.h', ['../device__management__shared__amd_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -266,28 +266,28 @@\n     ['enableexternalfepstatesetting_163', ['enableexternalfepstatesetting', ['../classgmx_1_1FreeEnergyPerturbationData.xhtml#a8aab439423afb11beab47abb9201f6bc', 1, 'gmx::FreeEnergyPerturbationData::enableExternalFepStateSetting()'],\n         ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#a8d891ed09cdc529b8b91023c5fe54ac7', 1, 'gmx::FreeEnergyPerturbationData::Element::enableExternalFepStateSetting()']\n     ]],\n     ['enablefpexceptions_164', ['enableFPExceptions', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#afffd8e4835ea5a633d3a6ab2b9c62ae7', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['enablegpupmedecomposition_165', ['enableGpuPmeDecomposition', ['../structgmx_1_1DevelopmentFeatureFlags.xhtml#a04cfda43ef27edf7b7843ba78f183a81', 1, 'gmx::DevelopmentFeatureFlags']]],\n     ['enablenvshmem_166', ['enableNvshmem', ['../structgmx_1_1DevelopmentFeatureFlags.xhtml#ae0c857b2cd89caa0d9c6b0da311083a7', 1, 'gmx::DevelopmentFeatureFlags']]],\n     ['encodedvalue_167', ['encodedValue', ['../namespacegmx_1_1test_1_1anonymous__namespace_02haloexchange__mpi_8cpp_03.xhtml#a777c050279cadf1f42c3145b123bd13c', 1, 'gmx::test::anonymous_namespace{haloexchange_mpi.cpp}']]],\n-    ['end_168', ['end', ['../classWorkDivision.xhtml#a55b972ca8118361804f650ae4fd70f77', 1, 'WorkDivision::end()'],\n-        ['../classgmx_1_1Range.xhtml#a5f692bf991d88d90ed8e33cc29a1cc51', 1, 'gmx::Range::end()'],\n+    ['end_168', ['end', ['../classgmx_1_1Range.xhtml#a5f692bf991d88d90ed8e33cc29a1cc51', 1, 'gmx::Range::end()'],\n         ['../classgmx_1_1ArrayRef.xhtml#ad78963af3304f05b7afb61f3d2d3c682', 1, 'gmx::ArrayRef::end()'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a0ce73444d0fb3143d0af6a5f8b3ab1c1', 1, 'gmx::FixedCapacityVector::end() noexcept'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a1950a5a0fa86373664dd67fa2b7341f1', 1, 'gmx::FixedCapacityVector::end() const noexcept'],\n         ['../classgmx_1_1EnergyFrame.xhtml#a822dc495870d6ced6e1e3bf3dd12b001', 1, 'gmx::EnergyFrame::end()'],\n+        ['../namespacegmx.xhtml#adc38f264fbd12f7c458acaa006bafc23', 1, 'gmx::end(const BasicMdspan &amp;basicMdspan)'],\n+        ['../namespacegmx.xhtml#a052781576fbbc1c6970be93d67899ed6', 1, 'gmx::end(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n+        ['../namespacegmx.xhtml#ad27509079b48f39c3f4fab22fd1a7796', 1, 'gmx::end(const MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n         ['../classIListRange.xhtml#af63fb2ced09ef9eccb0e88fbc7b26b09', 1, 'IListRange::end()'],\n+        ['../classgmx_1_1EnergyTerm.xhtml#ac9ab5be006073499a3fc86511b7fb2da', 1, 'gmx::EnergyTerm::end()'],\n+        ['../classWorkDivision.xhtml#a55b972ca8118361804f650ae4fd70f77', 1, 'WorkDivision::end()'],\n         ['../classAtomRange.xhtml#a61e27abc7881206f14ae2dd2af0e97f3', 1, 'AtomRange::end()'],\n-        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aa5d327c9a3459a9130dca36a084625c7', 1, 'gmx::internal::SimdArrayRef::end()'],\n         ['../classgmx_1_1IntegerBox.xhtml#a88b65fffe1dd2f10b4283ce6c7c0881f', 1, 'gmx::IntegerBox::end()'],\n-        ['../classgmx_1_1EnergyTerm.xhtml#ac9ab5be006073499a3fc86511b7fb2da', 1, 'gmx::EnergyTerm::end()'],\n-        ['../namespacegmx.xhtml#ad27509079b48f39c3f4fab22fd1a7796', 1, 'gmx::end(const MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n-        ['../namespacegmx.xhtml#a052781576fbbc1c6970be93d67899ed6', 1, 'gmx::end(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n-        ['../namespacegmx.xhtml#adc38f264fbd12f7c458acaa006bafc23', 1, 'gmx::end(const BasicMdspan &amp;basicMdspan)']\n+        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aa5d327c9a3459a9130dca36a084625c7', 1, 'gmx::internal::SimdArrayRef::end()']\n     ]],\n     ['end_5f_169', ['end_', ['../classgmx_1_1SelectionParserSymbolIterator_1_1Impl.xhtml#adaad6e3477afb09f0ebce0ad91d3bd6d', 1, 'gmx::SelectionParserSymbolIterator::Impl']]],\n     ['end_5faction_170', ['END_ACTION', ['../parser__internal_8h.xhtml#a8cff21a873fa69df9a845af194a2bb38', 1, 'parser_internal.h']]],\n     ['end_5faction_5ftoplevel_171', ['END_ACTION_TOPLEVEL', ['../parser__internal_8h.xhtml#ac78a505847a3259da9fdc0ab88fd97f2', 1, 'parser_internal.h']]],\n     ['endianswapbehavior_172', ['EndianSwapBehavior', ['../namespacegmx.xhtml#a9dcfc375435eb5edc0e45544fd43e655', 1, 'gmx']]],\n     ['endindex_173', ['endIndex', ['../structgmx_1_1SelectionLocation.xhtml#a41e340847acbb630e084602422793e99', 1, 'gmx::SelectionLocation']]],\n     ['enditerator_174', ['endIterator', ['../classgmx_1_1SelectionParserSymbolTable.xhtml#aa020bd1b932f67be6353e08f48d990da', 1, 'gmx::SelectionParserSymbolTable']]],\n@@ -336,16 +336,16 @@\n     ['energyanalysis_197', ['Framework for Energy Analysis (energyanalysis)', ['../group__module__energyanalysis.xhtml', 1, '']]],\n     ['energyanalysisframe_198', ['energyanalysisframe', ['../classgmx_1_1EnergyAnalysisFrame.xhtml', 1, 'gmx::EnergyAnalysisFrame'],\n         ['../classgmx_1_1EnergyAnalysisFrame.xhtml#a81020ccdbb438991874599c3d918ce6d', 1, 'gmx::EnergyAnalysisFrame::EnergyAnalysisFrame()']\n     ]],\n     ['energyanalysisframe_2eh_199', ['energyanalysisframe.h', ['../energyanalysisframe_8h.xhtml', 1, '']]],\n     ['energyanalysisframeiterator_200', ['EnergyAnalysisFrameIterator', ['../namespacegmx.xhtml#a8b00d593af8bea5c006bcefb9f4c1bad', 1, 'gmx']]],\n     ['energyattime_201', ['energyAtTime', ['../classgmx_1_1EnergyAnalysisFrame.xhtml#a59d6f3fbf68ecbecc0f4f9dd461be282', 1, 'gmx::EnergyAnalysisFrame']]],\n-    ['energycalculationfrequencyerrors_202', ['energycalculationfrequencyerrors', ['../classgmx_1_1EnergyCalculationFrequencyErrors.xhtml#adce9d3a3f423d7614edd41d3b5995a9d', 1, 'gmx::EnergyCalculationFrequencyErrors::EnergyCalculationFrequencyErrors()'],\n-        ['../classgmx_1_1EnergyCalculationFrequencyErrors.xhtml', 1, 'gmx::EnergyCalculationFrequencyErrors']\n+    ['energycalculationfrequencyerrors_202', ['energycalculationfrequencyerrors', ['../classgmx_1_1EnergyCalculationFrequencyErrors.xhtml', 1, 'gmx::EnergyCalculationFrequencyErrors'],\n+        ['../classgmx_1_1EnergyCalculationFrequencyErrors.xhtml#adce9d3a3f423d7614edd41d3b5995a9d', 1, 'gmx::EnergyCalculationFrequencyErrors::EnergyCalculationFrequencyErrors(int64_t energyCalculationIntervalInSteps)']\n     ]],\n     ['energycalculationintervalinsteps_203', ['energyCalculationIntervalInSteps', ['../classgmx_1_1EnergyCalculationFrequencyErrors.xhtml#aef314fecdfd6fecc617d309358b9fb30', 1, 'gmx::EnergyCalculationFrequencyErrors']]],\n     ['energycomparison_204', ['energycomparison', ['../classgmx_1_1test_1_1EnergyComparison.xhtml', 1, 'gmx::test::EnergyComparison'],\n         ['../classgmx_1_1test_1_1EnergyComparison.xhtml#aafb2df8ef9a36c6a3cffc8ac57cf2645', 1, 'gmx::test::EnergyComparison::EnergyComparison()']\n     ]],\n     ['energycomparison_2ecpp_205', ['energycomparison.cpp', ['../energycomparison_8cpp.xhtml', 1, '']]],\n     ['energycomparison_2eh_206', ['energycomparison.h', ['../energycomparison_8h.xhtml', 1, '']]],\n@@ -356,16 +356,16 @@\n     ]],\n     ['energydata_20tt_210', ['&lt;tt&gt;EnergyData&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md36', 1, '']]],\n     ['energydata_2ecpp_211', ['energydata.cpp', ['../energydata_8cpp.xhtml', 1, '']]],\n     ['energydata_2eh_212', ['energydata.h', ['../energydata_8h.xhtml', 1, '']]],\n     ['energydata_3a_3aelement_20tt_213', ['&lt;tt&gt;EnergyData::Element&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md32', 1, '']]],\n     ['energydrift_214', ['energyDrift', ['../classgmx_1_1EnergyDriftTracker.xhtml#af7dcf448940396b29c3ffb9e935fee66', 1, 'gmx::EnergyDriftTracker']]],\n     ['energydriftstring_215', ['energyDriftString', ['../classgmx_1_1EnergyDriftTracker.xhtml#ae353361ca2765e1c7655c1862fb49723', 1, 'gmx::EnergyDriftTracker']]],\n-    ['energydrifttracker_216', ['energydrifttracker', ['../classgmx_1_1EnergyDriftTracker.xhtml#ad3c5c99fef9e4a965773bf78c78a124e', 1, 'gmx::EnergyDriftTracker::EnergyDriftTracker()'],\n-        ['../classgmx_1_1EnergyDriftTracker.xhtml', 1, 'gmx::EnergyDriftTracker']\n+    ['energydrifttracker_216', ['energydrifttracker', ['../classgmx_1_1EnergyDriftTracker.xhtml', 1, 'gmx::EnergyDriftTracker'],\n+        ['../classgmx_1_1EnergyDriftTracker.xhtml#ad3c5c99fef9e4a965773bf78c78a124e', 1, 'gmx::EnergyDriftTracker::EnergyDriftTracker()']\n     ]],\n     ['energydrifttracker_2ecpp_217', ['energydrifttracker.cpp', ['../tests_2energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['energydrifttracker_2eh_218', ['energydrifttracker.h', ['../energydrifttracker_8h.xhtml', 1, '']]],\n     ['energyevaluator_219', ['EnergyEvaluator', ['../classanonymous__namespace_02minimize_8cpp_03_1_1EnergyEvaluator.xhtml', 1, 'anonymous_namespace{minimize.cpp}']]],\n     ['energyfile_5f_220', ['energyFile_', ['../classgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTest.xhtml#a977820643cf6286318747b49f78917c4', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest']]],\n@@ -376,19 +376,19 @@\n     ['energyframereader_223', ['energyframereader', ['../classgmx_1_1test_1_1EnergyFrameReader.xhtml#ac1150a09a747c3c269b037ccb4ffa6f7', 1, 'gmx::test::EnergyFrameReader::EnergyFrameReader()'],\n         ['../classgmx_1_1test_1_1EnergyFrameReader.xhtml', 1, 'gmx::test::EnergyFrameReader']\n     ]],\n     ['energyframereaderptr_224', ['EnergyFrameReaderPtr', ['../namespacegmx_1_1test.xhtml#adaf53810da1094987057767b0714fb27', 1, 'gmx::test']]],\n     ['energyfunctionproperties_225', ['EnergyFunctionProperties', ['../structgmx_1_1EnergyFunctionProperties.xhtml', 1, 'gmx']]],\n     ['energygrouppair_226', ['energyGroupPair', ['../structt__nblist_1_1IEntry.xhtml#a66115d383c9d9aeb4934800045821f03', 1, 't_nblist::IEntry']]],\n     ['energygroupspercluster_227', ['energygroupspercluster', ['../classgmx_1_1EnergyGroupsPerCluster.xhtml', 1, 'gmx::EnergyGroupsPerCluster'],\n-        ['../classgmx_1_1EnergyGroupsPerCluster.xhtml#a8e8dfa2d7a46ad55fecf134b0cb1443c', 1, 'gmx::EnergyGroupsPerCluster::EnergyGroupsPerCluster()'],\n-        ['../structgmx_1_1nbnxn__atomdata__t_1_1Params.xhtml#a8efa8e61f98994bc8d1c6fd25c0477e1', 1, 'gmx::nbnxn_atomdata_t::Params::energyGroupsPerCluster']\n+        ['../structgmx_1_1nbnxn__atomdata__t_1_1Params.xhtml#a8efa8e61f98994bc8d1c6fd25c0477e1', 1, 'gmx::nbnxn_atomdata_t::Params::energyGroupsPerCluster'],\n+        ['../classgmx_1_1EnergyGroupsPerCluster.xhtml#a8e8dfa2d7a46ad55fecf134b0cb1443c', 1, 'gmx::EnergyGroupsPerCluster::EnergyGroupsPerCluster()']\n     ]],\n-    ['energyhandling_228', ['energyhandling', ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelInputParameters.xhtml#a43ee3d83daa25e8b9df5fe800ab5da95', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelInputParameters::energyHandling'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a1140c917ee190783251e592c69de1169', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::energyHandling'],\n+    ['energyhandling_228', ['energyhandling', ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a1140c917ee190783251e592c69de1169', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::energyHandling'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelInputParameters.xhtml#a43ee3d83daa25e8b9df5fe800ab5da95', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelInputParameters::energyHandling'],\n         ['../namespacegmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03.xhtml#ac10927d3b7039c99adda45a70deb5114', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::EnergyHandling']\n     ]],\n     ['energyhistory_229', ['energyHistory', ['../structObservablesHistory.xhtml#ae615567a51c963f9afdf413f60f65b21', 1, 'ObservablesHistory']]],\n     ['energyhistory_2eh_230', ['energyhistory.h', ['../energyhistory_8h.xhtml', 1, '']]],\n     ['energyintegratortype_231', ['EnergyIntegratorType', ['../namespacegmx_1_1test_1_1anonymous__namespace_02initialconstraints_8cpp_03.xhtml#adc18c3f11a09cc6e57e948ae3609784d', 1, 'gmx::test::anonymous_namespace{initialconstraints.cpp}']]],\n     ['energyminimizationtest_232', ['EnergyMinimizationTest', ['../classgmx_1_1test_1_1anonymous__namespace_02minimize_8cpp_03_1_1EnergyMinimizationTest.xhtml', 1, 'gmx::test::anonymous_namespace{minimize.cpp}']]],\n     ['energyname_233', ['energyName', ['../structgmx_1_1EnergyNameUnit.xhtml#a2ad52ee36630c7369401732ee0acb572', 1, 'gmx::EnergyNameUnit']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -480,51 +480,51 @@\n     ['floatoptioninfo_268', ['floatoptioninfo', ['../classgmx_1_1FloatOptionInfo.xhtml', 1, 'gmx::FloatOptionInfo'],\n         ['../classgmx_1_1FloatOptionInfo.xhtml#a56d27f92c0cffbd7b148ad626581bc4a', 1, 'gmx::FloatOptionInfo::FloatOptionInfo()']\n     ]],\n     ['floatoptionstorage_269', ['floatoptionstorage', ['../classgmx_1_1FloatOptionStorage.xhtml', 1, 'gmx::FloatOptionStorage'],\n         ['../classgmx_1_1FloatOptionStorage.xhtml#a128b881ed6dc5c9144478747527f0f02', 1, 'gmx::FloatOptionStorage::FloatOptionStorage()'],\n         ['../classgmx_1_1FloatOption.xhtml#a9737ae8c8d40af054a7e8680ebb04856', 1, 'gmx::FloatOption::FloatOptionStorage']\n     ]],\n-    ['floattoler_270', ['floattoler', ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1ListInput.xhtml#ad83dd3751d1e1866fe0f858204d6fc2d', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::ListInput::floatToler'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1ListInput.xhtml#a004e5e8bdf0447d1694d70558d49fa32', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::ListInput::floatToler']\n+    ['floattoler_270', ['floattoler', ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1ListInput.xhtml#a004e5e8bdf0447d1694d70558d49fa32', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::ListInput::floatToler'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1ListInput.xhtml#ad83dd3751d1e1866fe0f858204d6fc2d', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::ListInput::floatToler']\n     ]],\n     ['floattypematcher_271', ['floattypematcher', ['../classgmx_1_1test_1_1FloatTypeMatcher.xhtml', 1, 'gmx::test::FloatTypeMatcher&lt; FloatType &gt;'],\n         ['../classgmx_1_1test_1_1FloatTypeMatcher.xhtml#a349d8c2cfc013ef8e63a9eab29df4c44', 1, 'gmx::test::FloatTypeMatcher::FloatTypeMatcher()']\n     ]],\n     ['flood_5fblowup_272', ['flood_blowup', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#aa027c1bd075c6b731318b7e4787b7cb9', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['flooding_273', ['Flooding', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#aa2d5ea43ccd104c8b0f1f2e7b8cad0c4ac244d080617e096f13d28a4fdf82b8d9', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['flush_274', ['flush', ['../classgmx_1_1H5md.xhtml#abd7f76a350d35c40723a6eca5c1b7757', 1, 'gmx::H5md']]],\n     ['fluxfromatob_275', ['fluxfromAtoB', ['../structswap__group.xhtml#a7a42dc9ddd2ea5f6b175b13f6f66e366', 1, 'swap_group']]],\n     ['fluxleak_276', ['fluxleak', ['../structt__swap.xhtml#a32bdda08730e7830c060235c17dd72e2', 1, 't_swap']]],\n-    ['fma_277', ['fma', ['../namespacegmx.xhtml#a183d89182d418bb66a668104978af5bf', 1, 'gmx::fma(float a, float b, float c)'],\n-        ['../group__module__simd.xhtml#ga68d608d0650ac219cb4c0d3034ee855f', 1, 'gmx::fma(Simd4Double a, Simd4Double b, Simd4Double c)'],\n+    ['fma_277', ['fma', ['../group__module__simd.xhtml#ga3b86949473ebaef8ccbd4d2852947839', 1, 'gmx::fma(SimdDouble a, SimdDouble b, SimdDouble c)'],\n+        ['../group__module__simd.xhtml#ga6969c0baf1592d7a5fec29636a85628f', 1, 'gmx::fma(SimdFloat a, SimdFloat b, SimdFloat c)'],\n         ['../group__module__simd.xhtml#gaa2db026253ce788e7f136326089e8a77', 1, 'gmx::fma(Simd4Float a, Simd4Float b, Simd4Float c)'],\n-        ['../group__module__simd.xhtml#ga3b86949473ebaef8ccbd4d2852947839', 1, 'gmx::fma(SimdDouble a, SimdDouble b, SimdDouble c)'],\n+        ['../group__module__simd.xhtml#ga68d608d0650ac219cb4c0d3034ee855f', 1, 'gmx::fma(Simd4Double a, Simd4Double b, Simd4Double c)'],\n         ['../namespacegmx.xhtml#a79e2ba07938cafa28c0988ba52874f46', 1, 'gmx::fma(double a, double b, double c)'],\n-        ['../group__module__simd.xhtml#ga6969c0baf1592d7a5fec29636a85628f', 1, 'gmx::fma(SimdFloat a, SimdFloat b, SimdFloat c)']\n+        ['../namespacegmx.xhtml#a183d89182d418bb66a668104978af5bf', 1, 'gmx::fma(float a, float b, float c)']\n     ]],\n     ['fmax_278', ['fmax', ['../structem__state.xhtml#aab39c5b16c1d58a45a5c973133e5ffc5', 1, 'em_state']]],\n-    ['fms_279', ['fms', ['../group__module__simd.xhtml#gafb3861a4cc7cae530fcf5bf83955da1b', 1, 'gmx::fms(Simd4Float a, Simd4Float b, Simd4Float c)'],\n+    ['fms_279', ['fms', ['../namespacegmx.xhtml#afad947f51589a3a9eef2f8364ab62c19', 1, 'gmx::fms(float a, float b, float c)'],\n+        ['../namespacegmx.xhtml#abcb2c8942d173c6a9964940f90c55b2a', 1, 'gmx::fms(double a, double b, double c)'],\n         ['../group__module__simd.xhtml#ga86c14cb73d3484b0a5e01e74640a4ee3', 1, 'gmx::fms(SimdDouble a, SimdDouble b, SimdDouble c)'],\n         ['../group__module__simd.xhtml#ga78a3204bd78e9122ba1998e985d1a5bd', 1, 'gmx::fms(Simd4Double a, Simd4Double b, Simd4Double c)'],\n-        ['../group__module__simd.xhtml#ga075eeabb5171e4f74cdd74e2f97bab5c', 1, 'gmx::fms(SimdFloat a, SimdFloat b, SimdFloat c)'],\n-        ['../namespacegmx.xhtml#afad947f51589a3a9eef2f8364ab62c19', 1, 'gmx::fms(float a, float b, float c)'],\n-        ['../namespacegmx.xhtml#abcb2c8942d173c6a9964940f90c55b2a', 1, 'gmx::fms(double a, double b, double c)']\n+        ['../group__module__simd.xhtml#gafb3861a4cc7cae530fcf5bf83955da1b', 1, 'gmx::fms(Simd4Float a, Simd4Float b, Simd4Float c)'],\n+        ['../group__module__simd.xhtml#ga075eeabb5171e4f74cdd74e2f97bab5c', 1, 'gmx::fms(SimdFloat a, SimdFloat b, SimdFloat c)']\n     ]],\n     ['fn_280', ['fn', ['../structt__filenm.xhtml#a72019255079f0fc2a11bd80f4341ab60', 1, 't_filenm']]],\n     ['fnm_5f_281', ['fnm_', ['../classgmx_1_1LegacySimulatorData.xhtml#a4647ed87898459d84908b057760d5c00', 1, 'gmx::LegacySimulatorData']]],\n-    ['fnma_282', ['fnma', ['../group__module__simd.xhtml#gae9ec59669729860c9efd1b9c70f3911b', 1, 'gmx::fnma(Simd4Double a, Simd4Double b, Simd4Double c)'],\n-        ['../group__module__simd.xhtml#gaaf4df87eca51bb2f57ffe0bcb1c9de02', 1, 'gmx::fnma(Simd4Float a, Simd4Float b, Simd4Float c)'],\n-        ['../namespacegmx.xhtml#adcf7849c8ce1bbbe3e2fecffedfc05e8', 1, 'gmx::fnma(double a, double b, double c)'],\n-        ['../group__module__simd.xhtml#ga6be2e3e5adbdf49e6468c8a2d638658d', 1, 'gmx::fnma(SimdFloat a, SimdFloat b, SimdFloat c)'],\n+    ['fnma_282', ['fnma', ['../group__module__simd.xhtml#gaaf4df87eca51bb2f57ffe0bcb1c9de02', 1, 'gmx::fnma(Simd4Float a, Simd4Float b, Simd4Float c)'],\n         ['../namespacegmx.xhtml#a55183d689ab9328c18c3b3f819bd7266', 1, 'gmx::fnma(float a, float b, float c)'],\n-        ['../group__module__simd.xhtml#gaaeca5c242a059145a90dc091db78ad57', 1, 'gmx::fnma(SimdDouble a, SimdDouble b, SimdDouble c)']\n+        ['../group__module__simd.xhtml#ga6be2e3e5adbdf49e6468c8a2d638658d', 1, 'gmx::fnma(SimdFloat a, SimdFloat b, SimdFloat c)'],\n+        ['../group__module__simd.xhtml#gaaeca5c242a059145a90dc091db78ad57', 1, 'gmx::fnma(SimdDouble a, SimdDouble b, SimdDouble c)'],\n+        ['../group__module__simd.xhtml#gae9ec59669729860c9efd1b9c70f3911b', 1, 'gmx::fnma(Simd4Double a, Simd4Double b, Simd4Double c)'],\n+        ['../namespacegmx.xhtml#adcf7849c8ce1bbbe3e2fecffedfc05e8', 1, 'gmx::fnma(double a, double b, double c)']\n     ]],\n-    ['fnms_283', ['fnms', ['../namespacegmx.xhtml#ad9bd8328d5cbdb7f6a054b877183f277', 1, 'gmx::fnms(double a, double b, double c)'],\n-        ['../group__module__simd.xhtml#gac7afe2f2f840c1de18cb7c61917ba11c', 1, 'gmx::fnms(Simd4Double a, Simd4Double b, Simd4Double c)'],\n+    ['fnms_283', ['fnms', ['../group__module__simd.xhtml#gac7afe2f2f840c1de18cb7c61917ba11c', 1, 'gmx::fnms(Simd4Double a, Simd4Double b, Simd4Double c)'],\n+        ['../namespacegmx.xhtml#ad9bd8328d5cbdb7f6a054b877183f277', 1, 'gmx::fnms(double a, double b, double c)'],\n         ['../group__module__simd.xhtml#gace0a9be42a2c83de88e9de207cd82e80', 1, 'gmx::fnms(Simd4Float a, Simd4Float b, Simd4Float c)'],\n         ['../group__module__simd.xhtml#ga44d26f7a7b8d6088d41be0b646f71543', 1, 'gmx::fnms(SimdDouble a, SimdDouble b, SimdDouble c)'],\n         ['../group__module__simd.xhtml#gaf8fe2e25414c377f8ed03d5c23f84963', 1, 'gmx::fnms(SimdFloat a, SimdFloat b, SimdFloat c)'],\n         ['../namespacegmx.xhtml#aa6e6950597f4833fa93b09a94e7b0e16', 1, 'gmx::fnms(float a, float b, float c)']\n     ]],\n     ['fnorm_284', ['fnorm', ['../structem__state.xhtml#a43339ea26f0470b9588c0b8cc1dc105f', 1, 'em_state']]],\n     ['fnpullx_285', ['fnPullx', ['../structUmbrellaOptions.xhtml#ad5da6a328592ff1ada6dee0fb0f6e65a', 1, 'UmbrellaOptions']]],\n@@ -538,132 +538,132 @@\n     ['for_20online_20help_20onlinehelp_291', ['Help Formatting for Online Help (onlinehelp)', ['../group__module__onlinehelp.xhtml', 1, '']]],\n     ['for_20parallelization_20over_20mpi_292', ['Spatial domain decomposition (for parallelization over MPI)', ['../group__module__domdec.xhtml', 1, '']]],\n     ['for_20simulation_20functionality_293', ['Modules for simulation functionality', ['../group__group__mdrun.xhtml', 1, '']]],\n     ['for_20table_20interpolation_294', ['Classes for table interpolation', ['../group__module__tables.xhtml', 1, '']]],\n     ['for_20trajectory_20analysis_295', ['Framework for trajectory analysis', ['../page_trajectoryanalysisframework.xhtml', 1, 'index']]],\n     ['for_20trajectory_20analysis_20trajectoryanalysis_296', ['Framework for Trajectory Analysis (trajectoryanalysis)', ['../group__module__trajectoryanalysis.xhtml', 1, '']]],\n     ['for_20writing_20trajectory_20analysis_20tools_297', ['Example code for writing trajectory analysis tools', ['../page_analysistemplate.xhtml', 1, 'page_trajectoryanalysisframework']]],\n-    ['force_298', ['force', ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1RF_01_4.xhtml#a8368ed9391852766220fbcc15f0cfa4b', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::RF &gt;::force()'],\n-        ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1EwaldTabulated_01_4.xhtml#aa5ee50c3018d666bc34a40aaada3fdda', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::EwaldTabulated &gt;::force()'],\n-        ['../structgmx_1_1OutputRequirements.xhtml#af7887fe29814bb6c293caab071825e5c', 1, 'gmx::OutputRequirements::force'],\n-        ['../structgmx_1_1InterdependentTask.xhtml#ab2cd1e5146ad30158e6064f65654035f', 1, 'gmx::InterdependentTask::force'],\n-        ['../classgmx_1_1PotentialPointData.xhtml#a6c7b261cec1253b0b6c948f93e9c9f9e', 1, 'gmx::PotentialPointData::force'],\n-        ['../classgmx_1_1ForceWithShiftForces.xhtml#add3a9163642b6d9de3fcbde97a915367', 1, 'gmx::ForceWithShiftForces::force()'],\n+    ['force_298', ['force', ['../classgmx_1_1ForceWithShiftForces.xhtml#a8f445fcff4ac77e2d1a8f30549d0c9db', 1, 'gmx::ForceWithShiftForces::force()'],\n+        ['../classgmx_1_1ForceWithShiftForces.xhtml#add3a9163642b6d9de3fcbde97a915367', 1, 'gmx::ForceWithShiftForces::force() const'],\n         ['../classgmx_1_1ForceWithVirial.xhtml#ad25910af0c94cb815ea449a8abc98bb6', 1, 'gmx::ForceWithVirial::force()'],\n-        ['../classgmx_1_1ForceWithShiftForces.xhtml#a8f445fcff4ac77e2d1a8f30549d0c9db', 1, 'gmx::ForceWithShiftForces::force()'],\n+        ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1RF_01_4.xhtml#a8368ed9391852766220fbcc15f0cfa4b', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::RF &gt;::force()'],\n+        ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1EwaldTabulated_01_4.xhtml#aa5ee50c3018d666bc34a40aaada3fdda', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::EwaldTabulated &gt;::force()'],\n         ['../classgmx_1_1ForceBuffersView.xhtml#ad7c5a0f7375ecac77c5a53edbf44c4cc', 1, 'gmx::ForceBuffersView::force()'],\n-        ['../classgmx_1_1ForceBuffersView.xhtml#a0effcf1ae82ec7bd85d78284a6015212', 1, 'gmx::ForceBuffersView::force() const']\n+        ['../classgmx_1_1ForceBuffersView.xhtml#a0effcf1ae82ec7bd85d78284a6015212', 1, 'gmx::ForceBuffersView::force() const'],\n+        ['../classgmx_1_1PotentialPointData.xhtml#a6c7b261cec1253b0b6c948f93e9c9f9e', 1, 'gmx::PotentialPointData::force'],\n+        ['../structgmx_1_1InterdependentTask.xhtml#ab2cd1e5146ad30158e6064f65654035f', 1, 'gmx::InterdependentTask::force'],\n+        ['../structgmx_1_1OutputRequirements.xhtml#af7887fe29814bb6c293caab071825e5c', 1, 'gmx::OutputRequirements::force']\n     ]],\n     ['force_5f_299', ['force_', ['../classgmx_1_1ForceWithVirial.xhtml#abfd100d928a758bfa73ab4a4f799bdc0', 1, 'gmx::ForceWithVirial']]],\n     ['force_5fenv_5ft_300', ['force_env_t', ['../namespacegmx.xhtml#a9c7c01b19ef2cbfafccf48919ed40c0e', 1, 'gmx']]],\n     ['forceandcorrectionenergy_301', ['forceandcorrectionenergy', ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1EwaldTabulated_01_4.xhtml#a0f088963f891c0aa832937898b85b79c', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::EwaldTabulated &gt;::forceAndCorrectionEnergy()'],\n         ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1EwaldAnalytical_01_4.xhtml#aa60db83ade23a3480f4384659c5fe5db', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::EwaldAnalytical &gt;::forceAndCorrectionEnergy()'],\n         ['../classgmx_1_1CoulombCalculator_3_01KernelCoulombType_1_1RF_01_4.xhtml#a44357acf0cd6a68b00f2e983e562bfa0', 1, 'gmx::CoulombCalculator&lt; KernelCoulombType::RF &gt;::forceAndCorrectionEnergy()']\n     ]],\n     ['forceav_302', ['forceAv', ['../structt__UmbrellaWindow.xhtml#a7fe31ae860a78930c63fd3f1cc5410bf', 1, 't_UmbrellaWindow']]],\n     ['forcebuffer_303', ['forceBuffer', ['../classgmx_1_1ThreadForceBuffer.xhtml#a77f61130c736184b12a25f5ed580b38e', 1, 'gmx::ThreadForceBuffer']]],\n     ['forcebufferfordirectvirialcontributions_304', ['forceBufferForDirectVirialContributions', ['../classForceHelperBuffers.xhtml#a083fa66a7eb616ec2f3e01532bcb868a', 1, 'ForceHelperBuffers']]],\n     ['forcebuffers_305', ['forcebuffers', ['../classgmx_1_1ForceBuffers.xhtml#ace368bdb63c723367e8de41ff03e6ef2', 1, 'gmx::ForceBuffers::ForceBuffers(ForceBuffers &amp;&amp;o)=delete'],\n         ['../classgmx_1_1ForceBuffers.xhtml#af3eccf5e0a3d50fd46117dcf8310d43d', 1, 'gmx::ForceBuffers::ForceBuffers(const ForceBuffers &amp;o)=delete'],\n         ['../classgmx_1_1ForceBuffers.xhtml#a097cb3fed169c66c986820121462b0c1', 1, 'gmx::ForceBuffers::ForceBuffers(bool useForceMtsCombined, PinningPolicy pinningPolicy)'],\n-        ['../classgmx_1_1ForceBuffers.xhtml', 1, 'gmx::ForceBuffers'],\n-        ['../classgmx_1_1ForceBuffers.xhtml#a1854ef7ef3e6623ab2cfa73e07597d4a', 1, 'gmx::ForceBuffers::ForceBuffers()']\n+        ['../classgmx_1_1ForceBuffers.xhtml#a1854ef7ef3e6623ab2cfa73e07597d4a', 1, 'gmx::ForceBuffers::ForceBuffers()'],\n+        ['../classgmx_1_1ForceBuffers.xhtml', 1, 'gmx::ForceBuffers']\n     ]],\n-    ['forcebuffers_2ecpp_306', ['forcebuffers.cpp', ['../tests_2forcebuffers_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../forcebuffers_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['forcebuffers_2ecpp_306', ['forcebuffers.cpp', ['../forcebuffers_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2forcebuffers_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['forcebuffers_2eh_307', ['forcebuffers.h', ['../forcebuffers_8h.xhtml', 1, '']]],\n     ['forcebuffersview_308', ['forcebuffersview', ['../classgmx_1_1ForceBuffersView.xhtml#a3590d4fc647af93ab0f6092f85ed7b1f', 1, 'gmx::ForceBuffersView::ForceBuffersView(const ArrayRefWithPadding&lt; RVec &gt; &amp;force, const ArrayRefWithPadding&lt; RVec &gt; &amp;forceMtsCombined, const bool useForceMtsCombined)'],\n-        ['../classgmx_1_1ForceBuffersView.xhtml#a75e5dfcac0461da9e1ba0671b99e2e19', 1, 'gmx::ForceBuffersView::ForceBuffersView(const ForceBuffersView &amp;o)=delete'],\n         ['../classgmx_1_1ForceBuffersView.xhtml#a38b40421ab657108d222878f50f54f99', 1, 'gmx::ForceBuffersView::ForceBuffersView(ForceBuffersView &amp;&amp;o)=delete'],\n+        ['../classgmx_1_1ForceBuffersView.xhtml#a75e5dfcac0461da9e1ba0671b99e2e19', 1, 'gmx::ForceBuffersView::ForceBuffersView(const ForceBuffersView &amp;o)=delete'],\n         ['../classgmx_1_1ForceBuffersView.xhtml', 1, 'gmx::ForceBuffersView']\n     ]],\n     ['forcebufferwithpadding_309', ['forceBufferWithPadding', ['../classgmx_1_1ThreadForceBuffer.xhtml#a7f7008c15c676d8f80f80e3e0d8bf170', 1, 'gmx::ThreadForceBuffer']]],\n-    ['forcec6c12_310', ['forcec6c12', ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1PotSwitch_01_4.xhtml#a91dad0c034142604295dc9120c1700b0', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::PotSwitch &gt;::forceC6C12()'],\n-        ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1ForceSwitch_01_4.xhtml#a369a611a138c28c564072449a87c9f74', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::ForceSwitch &gt;::forceC6C12()'],\n+    ['forcec6c12_310', ['forcec6c12', ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1ForceSwitch_01_4.xhtml#a369a611a138c28c564072449a87c9f74', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::ForceSwitch &gt;::forceC6C12()'],\n+        ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1PotSwitch_01_4.xhtml#a91dad0c034142604295dc9120c1700b0', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::PotSwitch &gt;::forceC6C12()'],\n         ['../classgmx_1_1LennardJonesCalculator_3_01true_00_01InteractionModifiers_1_1PotShift_01_4.xhtml#afc8e334301a5dc5758c76ca667eead87', 1, 'gmx::LennardJonesCalculator&lt; true, InteractionModifiers::PotShift &gt;::forceC6C12()'],\n         ['../classgmx_1_1LennardJonesCalculator_3_01false_00_01InteractionModifiers_1_1PotShift_01_4.xhtml#ad62d1898885d0433bc488d42783e0f9c', 1, 'gmx::LennardJonesCalculator&lt; false, InteractionModifiers::PotShift &gt;::forceC6C12()']\n     ]],\n     ['forceconstant_5f_311', ['forceConstant_', ['../structgmx_1_1DensityFittingParameters.xhtml#a9b0d093a5950b44c54d24ce7f0518db4', 1, 'gmx::DensityFittingParameters']]],\n     ['forcecorrelationgrid_312', ['forceCorrelationGrid', ['../classgmx_1_1Bias.xhtml#ac0027507979084064f22282d59336983', 1, 'gmx::Bias']]],\n     ['forced_313', ['Forced', ['../namespacegmx.xhtml#a6b0776e8436cb38e80d66f0de7c870d8adc2eb84d1f952ad0e6b58014aabd616a', 1, 'gmx']]],\n     ['forceelement_314', ['forceelement', ['../classgmx_1_1ForceElement.xhtml', 1, 'gmx::ForceElement'],\n         ['../classgmx_1_1ForceElement.xhtml#a5f70589ab35436446dd9bca932b3d7ab', 1, 'gmx::ForceElement::ForceElement()']\n     ]],\n     ['forceelement_20tt_20and_20tt_20shellfcelement_20tt_315', ['&lt;tt&gt;ForceElement&lt;/tt&gt; and &lt;tt&gt;ShellFCElement&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md25', 1, '']]],\n     ['forceelement_2ecpp_316', ['forceelement.cpp', ['../forceelement_8cpp.xhtml', 1, '']]],\n     ['forceelement_2eh_317', ['forceelement.h', ['../forceelement_8h.xhtml', 1, '']]],\n     ['forcegroupmtslevel_318', ['forceGroupMtsLevel', ['../namespacegmx.xhtml#ab8fbde2d7241b5d59575b7e74d55cde8', 1, 'gmx']]],\n     ['forcegroups_319', ['forceGroups', ['../structgmx_1_1MtsLevel.xhtml#ab82f13e89321ad0837c790edab1fac90', 1, 'gmx::MtsLevel']]],\n-    ['forcehelperbuffers_320', ['forcehelperbuffers', ['../classForceHelperBuffers.xhtml#a9e1b51ce0db37268d210cbbc40c2691e', 1, 'ForceHelperBuffers::ForceHelperBuffers()'],\n-        ['../classForceHelperBuffers.xhtml', 1, 'ForceHelperBuffers']\n+    ['forcehelperbuffers_320', ['forcehelperbuffers', ['../classForceHelperBuffers.xhtml', 1, 'ForceHelperBuffers'],\n+        ['../classForceHelperBuffers.xhtml#a9e1b51ce0db37268d210cbbc40c2691e', 1, 'ForceHelperBuffers::ForceHelperBuffers()']\n     ]],\n     ['forcemtscombined_321', ['forcemtscombined', ['../classgmx_1_1ForceBuffersView.xhtml#a166f7af032d4e40035ffec7b665ed572', 1, 'gmx::ForceBuffersView::forceMtsCombined() const'],\n         ['../classgmx_1_1ForceBuffersView.xhtml#a6c291c3c289aecea56104b7e79325558', 1, 'gmx::ForceBuffersView::forceMtsCombined()']\n     ]],\n     ['forcemtscombinedwithpadding_322', ['forceMtsCombinedWithPadding', ['../classgmx_1_1ForceBuffersView.xhtml#a297d8a01836b387a5ab1be510aed44fa', 1, 'gmx::ForceBuffersView']]],\n     ['forceoutput_2eh_323', ['forceoutput.h', ['../forceoutput_8h.xhtml', 1, '']]],\n-    ['forceoutputs_324', ['forceoutputs', ['../classgmx_1_1ForceOutputs.xhtml', 1, 'gmx::ForceOutputs'],\n-        ['../classgmx_1_1ForceOutputs.xhtml#abd589c42af0e81e787dd76f03d020187', 1, 'gmx::ForceOutputs::ForceOutputs()']\n+    ['forceoutputs_324', ['forceoutputs', ['../classgmx_1_1ForceOutputs.xhtml#abd589c42af0e81e787dd76f03d020187', 1, 'gmx::ForceOutputs::ForceOutputs()'],\n+        ['../classgmx_1_1ForceOutputs.xhtml', 1, 'gmx::ForceOutputs']\n     ]],\n     ['forceparam_325', ['forceparam', ['../classInteractionOfType.xhtml#a9377381fa12dd22697c3e1b256cd8cf3', 1, 'InteractionOfType::forceParam() const'],\n         ['../classInteractionOfType.xhtml#a6baea034eb73978879f0a9d1fe80d938', 1, 'InteractionOfType::forceParam()']\n     ]],\n     ['forceprovider_5f_326', ['forceProvider_', ['../classgmx_1_1RestraintMDModuleImpl.xhtml#aac64fca138727a4dee6675d4a0f05919', 1, 'gmx::RestraintMDModuleImpl']]],\n     ['forceproviderinput_327', ['forceproviderinput', ['../classgmx_1_1ForceProviderInput.xhtml', 1, 'gmx::ForceProviderInput'],\n         ['../classgmx_1_1ForceProviderInput.xhtml#a2f7907d0aae391014935b848ac4f3561', 1, 'gmx::ForceProviderInput::ForceProviderInput()']\n     ]],\n-    ['forceprovideroutput_328', ['forceprovideroutput', ['../classgmx_1_1ForceProviderOutput.xhtml#a462f088782c665aa46acd9a7492853df', 1, 'gmx::ForceProviderOutput::ForceProviderOutput()'],\n-        ['../classgmx_1_1ForceProviderOutput.xhtml', 1, 'gmx::ForceProviderOutput']\n+    ['forceprovideroutput_328', ['forceprovideroutput', ['../classgmx_1_1ForceProviderOutput.xhtml', 1, 'gmx::ForceProviderOutput'],\n+        ['../classgmx_1_1ForceProviderOutput.xhtml#a462f088782c665aa46acd9a7492853df', 1, 'gmx::ForceProviderOutput::ForceProviderOutput()']\n     ]],\n-    ['forceproviders_329', ['forceproviders', ['../classgmx_1_1ForceProviders.xhtml', 1, 'gmx::ForceProviders'],\n-        ['../classgmx_1_1ForceProviders.xhtml#a4847a5d5f691d861a59cd61e8c3d45d8', 1, 'gmx::ForceProviders::ForceProviders()']\n+    ['forceproviders_329', ['forceproviders', ['../classgmx_1_1ForceProviders.xhtml#a4847a5d5f691d861a59cd61e8c3d45d8', 1, 'gmx::ForceProviders::ForceProviders()'],\n+        ['../classgmx_1_1ForceProviders.xhtml', 1, 'gmx::ForceProviders']\n     ]],\n     ['forcerec_330', ['forceRec', ['../structgmx_1_1BenchmarkSystem.xhtml#a534bb21016f5b35597ffc2470da7bdf5', 1, 'gmx::BenchmarkSystem']]],\n     ['forcerec_5f_331', ['forceRec_', ['../classgmx_1_1LegacyInput.xhtml#ab5f30c00289b7ca566dfbd2bcb114c81', 1, 'gmx::LegacyInput']]],\n     ['forces_332', ['forces', ['../group__module__ewald.xhtml', 1, 'Ewald-family treatments of long-ranged forces'],\n         ['../classgmx_1_1Selection.xhtml#a02f9b69ac0c98fe3a7c857917e220da4', 1, 'gmx::Selection::forces()']\n     ]],\n     ['forces_5f_333', ['forces_', ['../classgmx_1_1test_1_1FrictionMetricTest.xhtml#a2eaf2cdae0eaba0fbb05e298892c01f2', 1, 'gmx::test::FrictionMetricTest']]],\n     ['forces_5fcartesian_334', ['forces_cartesian', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__edflood.xhtml#ac71ff0ff5077145336f7286aa07f1e5e', 1, 'anonymous_namespace{edsam.cpp}::t_edflood']]],\n     ['forcesandenergy_335', ['ForcesAndEnergy', ['../bonded_8h.xhtml#aacdbef16553b9b562a9a05e7b8c135f1aa00644de02a06dd261b599ddc63f3234', 1, 'bonded.h']]],\n     ['forcesandvirialandenergy_336', ['ForcesAndVirialAndEnergy', ['../bonded_8h.xhtml#aacdbef16553b9b562a9a05e7b8c135f1ae8e1203cbd97d9a274adbad82b0fb438', 1, 'bonded.h']]],\n     ['forcescomparison_337', ['forcesComparison', ['../structgmx_1_1test_1_1TrajectoryFrameMatchSettings.xhtml#ab06919813101eb02e938703e6a016919', 1, 'gmx::test::TrajectoryFrameMatchSettings']]],\n-    ['forcesigmaepsilon_338', ['forcesigmaepsilon', ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1PotSwitch_01_4.xhtml#a86272df0ac3631f0b5bb5a83d7be3624', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::PotSwitch &gt;::forceSigmaEpsilon()'],\n-        ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1ForceSwitch_01_4.xhtml#a69e68d046877a3a0af951b89d5fa2c02', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::ForceSwitch &gt;::forceSigmaEpsilon()']\n+    ['forcesigmaepsilon_338', ['forcesigmaepsilon', ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1ForceSwitch_01_4.xhtml#a69e68d046877a3a0af951b89d5fa2c02', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::ForceSwitch &gt;::forceSigmaEpsilon()'],\n+        ['../classgmx_1_1LennardJonesCalculator_3_01calculateEnergies_00_01InteractionModifiers_1_1PotSwitch_01_4.xhtml#a86272df0ac3631f0b5bb5a83d7be3624', 1, 'gmx::LennardJonesCalculator&lt; calculateEnergies, InteractionModifiers::PotSwitch &gt;::forceSigmaEpsilon()']\n     ]],\n     ['forcesnosimd_339', ['ForcesNoSimd', ['../bonded_8h.xhtml#aacdbef16553b9b562a9a05e7b8c135f1a8917e450c056da6d8461932eb69740ab', 1, 'bonded.h']]],\n     ['forcesreadynvshmemflags_340', ['forcesReadyNvshmemFlags', ['../structPmeGpuKernelParamsBase.xhtml#a38710950be6d527750e17ac2c4e6f4e6', 1, 'PmeGpuKernelParamsBase']]],\n     ['forcesreadynvshmemflagscounter_341', ['forcesReadyNvshmemFlagsCounter', ['../structPmeGpuKernelParamsBase.xhtml#ab0effa252977d3ad9184360988f68f00', 1, 'PmeGpuKernelParamsBase']]],\n     ['forcessimdwhenavailable_342', ['ForcesSimdWhenAvailable', ['../bonded_8h.xhtml#aacdbef16553b9b562a9a05e7b8c135f1a5fc0f529c3ea0688814b93b143afe101', 1, 'bonded.h']]],\n     ['forcessize_343', ['forcesSize', ['../structPmeGpuSpecific.xhtml#a4c72957ef5653404a6159d636ba53832', 1, 'PmeGpuSpecific']]],\n     ['forcessizealloc_344', ['forcesSizeAlloc', ['../structPmeGpuSpecific.xhtml#a1fbba838609544ad9809fa3268e04a92', 1, 'PmeGpuSpecific']]],\n     ['forcesvector_345', ['ForcesVector', ['../namespacegmx_1_1test.xhtml#ad784e0ed3eca143a1a3a36da930300df', 1, 'gmx::test']]],\n     ['forcesview_346', ['forcesView', ['../classgmx_1_1StatePropagatorData.xhtml#ac56eadf0e02d86349531cac0557bd2bd', 1, 'gmx::StatePropagatorData']]],\n     ['forcetable_2eh_347', ['forcetable.h', ['../forcetable_8h.xhtml', 1, '']]],\n     ['forcevirial_348', ['forceVirial', ['../classgmx_1_1EnergyData.xhtml#ae4351396f764b07956078a34f311da7c', 1, 'gmx::EnergyData']]],\n     ['forcewithpadding_349', ['forceWithPadding', ['../classgmx_1_1ForceBuffersView.xhtml#a90ada9d30335398fb2b31e296c92487b', 1, 'gmx::ForceBuffersView']]],\n     ['forcewithshiftforces_350', ['forcewithshiftforces', ['../classgmx_1_1ForceWithShiftForces.xhtml', 1, 'gmx::ForceWithShiftForces'],\n-        ['../classgmx_1_1ForceWithShiftForces.xhtml#ae6c1da02aa986bb9b59a6a927c03a077', 1, 'gmx::ForceWithShiftForces::ForceWithShiftForces()'],\n-        ['../classgmx_1_1ForceOutputs.xhtml#ab44c69ccabe92ea8bdbdde55e4beb0fc', 1, 'gmx::ForceOutputs::forceWithShiftForces()']\n+        ['../classgmx_1_1ForceOutputs.xhtml#ab44c69ccabe92ea8bdbdde55e4beb0fc', 1, 'gmx::ForceOutputs::forceWithShiftForces()'],\n+        ['../classgmx_1_1ForceWithShiftForces.xhtml#ae6c1da02aa986bb9b59a6a927c03a077', 1, 'gmx::ForceWithShiftForces::ForceWithShiftForces()']\n     ]],\n-    ['forcewithvirial_351', ['forcewithvirial', ['../classgmx_1_1ForceOutputs.xhtml#af0df6cc91687d6a941b6555cc08899ef', 1, 'gmx::ForceOutputs::forceWithVirial()'],\n-        ['../classgmx_1_1ForceWithVirial.xhtml#a374f64bbbf84c95d901d9675e338f32a', 1, 'gmx::ForceWithVirial::ForceWithVirial()'],\n-        ['../classgmx_1_1ForceWithVirial.xhtml', 1, 'gmx::ForceWithVirial']\n+    ['forcewithvirial_351', ['forcewithvirial', ['../classgmx_1_1ForceWithVirial.xhtml', 1, 'gmx::ForceWithVirial'],\n+        ['../classgmx_1_1ForceOutputs.xhtml#af0df6cc91687d6a941b6555cc08899ef', 1, 'gmx::ForceOutputs::forceWithVirial()'],\n+        ['../classgmx_1_1ForceWithVirial.xhtml#a374f64bbbf84c95d901d9675e338f32a', 1, 'gmx::ForceWithVirial::ForceWithVirial()']\n     ]],\n     ['forcewithvirial_5f_352', ['forceWithVirial_', ['../classgmx_1_1ForceProviderOutput.xhtml#ac1ae21b316927482ad471fc2d1a29673', 1, 'gmx::ForceProviderOutput']]],\n     ['foreignlambdas_353', ['foreignLambdas', ['../classForeignLambdaTerms.xhtml#a930d11432e2ecb7d4c60f5e4d260dd41', 1, 'ForeignLambdaTerms']]],\n     ['foreignlambdaterms_354', ['foreignlambdaterms', ['../classForeignLambdaTerms.xhtml#a2b917fbff4b49eba344b3cff96e381cb', 1, 'ForeignLambdaTerms::ForeignLambdaTerms()'],\n-        ['../classForeignLambdaTerms.xhtml', 1, 'ForeignLambdaTerms'],\n-        ['../structgmx__enerdata__t.xhtml#a9534fb2fe6e22e92ad6d1dfb9648d2ec', 1, 'gmx_enerdata_t::foreignLambdaTerms']\n+        ['../structgmx__enerdata__t.xhtml#a9534fb2fe6e22e92ad6d1dfb9648d2ec', 1, 'gmx_enerdata_t::foreignLambdaTerms'],\n+        ['../classForeignLambdaTerms.xhtml', 1, 'ForeignLambdaTerms']\n     ]],\n     ['foreignlambdaworkdivision_355', ['foreignLambdaWorkDivision', ['../structbonded__threading__t.xhtml#aef2b9dccebdab85f830955f722f5ff98', 1, 'bonded_threading_t']]],\n-    ['format_5f_356', ['format_', ['../classgmx_1_1HelpLinks_1_1Impl.xhtml#ae464fc9106482eadbe2f6126719631b5', 1, 'gmx::HelpLinks::Impl::format_'],\n-        ['../classgmx_1_1HelpWriterContext_1_1Impl_1_1SharedState.xhtml#af87b493d18a69322609dc013b0e3082f', 1, 'gmx::HelpWriterContext::Impl::SharedState::format_'],\n-        ['../structt__forcetable.xhtml#a198e414c2e2fec929e389d5e47c7a919', 1, 't_forcetable::format_']\n+    ['format_5f_356', ['format_', ['../classgmx_1_1HelpWriterContext_1_1Impl_1_1SharedState.xhtml#af87b493d18a69322609dc013b0e3082f', 1, 'gmx::HelpWriterContext::Impl::SharedState::format_'],\n+        ['../structt__forcetable.xhtml#a198e414c2e2fec929e389d5e47c7a919', 1, 't_forcetable::format_'],\n+        ['../classgmx_1_1HelpLinks_1_1Impl.xhtml#ae464fc9106482eadbe2f6126719631b5', 1, 'gmx::HelpLinks::Impl::format_']\n     ]],\n     ['formatandjoin_357', ['formatandjoin', ['../group__module__utility.xhtml#ga8e151e320e4072b2cc254b653077bb68', 1, 'gmx::formatAndJoin(const ContainerType &amp;container, const char *separator, const FormatterType &amp;formatter)'],\n         ['../group__module__utility.xhtml#gaa21c247b747e12412da58cb9f6d500ef', 1, 'gmx::formatAndJoin(InputIterator begin, InputIterator end, const char *separator, const FormatterType &amp;formatter)']\n     ]],\n     ['formatbugs_358', ['formatBugs', ['../classgmx_1_1CommandLineHelpWriter_1_1Impl.xhtml#a8f93f1eafa8598fd1e6c0ddcdeab8336', 1, 'gmx::CommandLineHelpWriter::Impl']]],\n     ['formatcurrenterrorcontext_359', ['formatCurrentErrorContext', ['../namespaceanonymous__namespace_02parsetree_8cpp_03.xhtml#a308da93483b3a0c7607f6bf24b17fd84', 1, 'anonymous_namespace{parsetree.cpp}']]],\n     ['formatdescription_360', ['formatDescription', ['../classgmx_1_1OptionInfo.xhtml#a1d08fd40c1f2ffd8c2bd159ab24f4526', 1, 'gmx::OptionInfo']]],\n@@ -678,26 +678,26 @@\n         ['../classgmx_1_1AbstractOptionStorage.xhtml#a3bb8e55599d98488478acbb5d541e8bd', 1, 'gmx::AbstractOptionStorage::formatExtraDescription()']\n     ]],\n     ['formatfunctorforint_367', ['FormatFunctorForInt', ['../classgmx_1_1test_1_1anonymous__namespace_02naming_8cpp_03_1_1FormatFunctorForInt.xhtml', 1, 'gmx::test::anonymous_namespace{naming.cpp}']]],\n     ['formatidentifier_5f_368', ['formatIdentifier_', ['../structgmx_1_1MrcDensityMapHeader.xhtml#a07b35ec0d53363bf5d7fc8190d19a86c', 1, 'gmx::MrcDensityMapHeader']]],\n     ['formatline_369', ['formatLine', ['../classgmx_1_1TextLineWrapper.xhtml#a866d5098cb45b336ff963522f6b65f80', 1, 'gmx::TextLineWrapper']]],\n     ['formatlistsetup_370', ['formatListSetup', ['../namespacegmx.xhtml#a918e665676c3f637701bc27158854e87', 1, 'gmx']]],\n     ['formatnamefromparam_371', ['formatNameFromParam', ['../naming_8h.xhtml#a2fb74aadc08477b4a5f2a78a85593458', 1, 'gmx::test::detail']]],\n-    ['formatoption_372', ['formatoption', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1IOptionsFormatter.xhtml#a3035ef8ba9640e3d63f33de007f9dd71', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::IOptionsFormatter::formatOption()'],\n-        ['../group__module__commandline.xhtml#gaedc7a4deda2f830f5c4bd3eb6f03a18e', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::formatOption()'],\n-        ['../group__module__commandline.xhtml#ga5b12d69664ce762e9111dce4a8ee7ea1', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::SynopsisFormatter::formatOption()']\n+    ['formatoption_372', ['formatoption', ['../group__module__commandline.xhtml#gaedc7a4deda2f830f5c4bd3eb6f03a18e', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::formatOption()'],\n+        ['../group__module__commandline.xhtml#ga5b12d69664ce762e9111dce4a8ee7ea1', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::SynopsisFormatter::formatOption()'],\n+        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1IOptionsFormatter.xhtml#a3035ef8ba9640e3d63f33de007f9dd71', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::IOptionsFormatter::formatOption()']\n     ]],\n     ['formatoptionnameandvalue_373', ['formatOptionNameAndValue', ['../group__module__commandline.xhtml#ga3ddcb033e8cd6b9c9f70781eb6881145', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}']]],\n     ['formatrow_374', ['formatRow', ['../classgmx_1_1TextTableFormatter.xhtml#a315d06a112412cbb8e95dce6d959f33b', 1, 'gmx::TextTableFormatter']]],\n     ['formats_375', ['Help in other formats', ['../page_wrapperbinary.xhtml#autotoc_md74', 1, '']]],\n     ['formatselected_376', ['formatSelected', ['../group__module__commandline.xhtml#gafda0e4db6ceac953ba387938fb1dae15', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsFilter']]],\n     ['formatsequenceentrypath_377', ['formatSequenceEntryPath', ['../namespacegmx_1_1test_1_1anonymous__namespace_02refdata_8cpp_03.xhtml#ac74b2b3d571937e84f64701c0371a59b', 1, 'gmx::test::anonymous_namespace{refdata.cpp}']]],\n     ['formatsinglevalue_378', ['formatsinglevalue', ['../classgmx_1_1OptionStorageTemplate.xhtml#aba54f7d43ae5ec873428ba0d56b39b06', 1, 'gmx::OptionStorageTemplate::formatSingleValue()'],\n-        ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a066ff22ece7a6d13d1323a5265069c30', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::formatSingleValue()'],\n-        ['../classgmx_1_1SelectionOptionStorage.xhtml#a31b2448716fe92af72651b070b5b9b94', 1, 'gmx::SelectionOptionStorage::formatSingleValue()']\n+        ['../classgmx_1_1SelectionOptionStorage.xhtml#a31b2448716fe92af72651b070b5b9b94', 1, 'gmx::SelectionOptionStorage::formatSingleValue()'],\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a066ff22ece7a6d13d1323a5265069c30', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::formatSingleValue()']\n     ]],\n     ['formatsize_379', ['formatsize', ['../structt__forcetable.xhtml#ad2d51ba6a8a1f42c3604036a96ab446e', 1, 't_forcetable']]],\n     ['formatstring_380', ['formatString', ['../group__module__utility.xhtml#gaed06df18ca6f9fc3f42bad9ea4d7e025', 1, 'gmx']]],\n     ['formatstringv_381', ['formatStringV', ['../group__module__utility.xhtml#ga565d399b88c0b9582d70ff93a814345b', 1, 'gmx']]],\n     ['formattervariant_382', ['FormatterVariant', ['../structgmx_1_1test_1_1detail_1_1FormatterVariant.xhtml', 1, 'gmx::test::detail']]],\n     ['formattervariant_3c_20enum_2c_20typename_20std_3a_3aenable_5fif_5ft_3c_20std_3a_3ais_5fenum_5fv_3c_20enum_20_3e_20_3e_20_3e_383', ['FormatterVariant&lt; Enum, typename std::enable_if_t&lt; std::is_enum_v&lt; Enum &gt; &gt; &gt;', ['../structgmx_1_1test_1_1detail_1_1FormatterVariant_3_01Enum_00_01typename_01std_1_1enable__if__t_3_acb6dee1ce56d1306a9910143bc22f09.xhtml', 1, 'gmx::test::detail']]],\n     ['formatting_384', ['Help formatting', ['../page_onlinehelp.xhtml', 1, 'index']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_0.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_0.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -5,16 +5,16 @@\n     ['abstractoption_2eh_3', ['abstractoption.h', ['../abstractoption_8h.xhtml', 1, '']]],\n     ['abstractoptionstorage_2ecpp_4', ['abstractoptionstorage.cpp', ['../abstractoptionstorage_8cpp.xhtml', 1, '']]],\n     ['abstractoptionstorage_2eh_5', ['abstractoptionstorage.h', ['../abstractoptionstorage_8h.xhtml', 1, '']]],\n     ['abstractsection_2ecpp_6', ['abstractsection.cpp', ['../abstractsection_8cpp.xhtml', 1, '']]],\n     ['abstractsection_2eh_7', ['abstractsection.h', ['../abstractsection_8h.xhtml', 1, '']]],\n     ['accessor_5fpolicy_2ecpp_8', ['accessor_policy.cpp', ['../accessor__policy_8cpp.xhtml', 1, '']]],\n     ['accessor_5fpolicy_2eh_9', ['accessor_policy.h', ['../accessor__policy_8h.xhtml', 1, '']]],\n-    ['alignedallocator_2ecpp_10', ['alignedallocator.cpp', ['../tests_2alignedallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../alignedallocator_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['alignedallocator_2ecpp_10', ['alignedallocator.cpp', ['../alignedallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2alignedallocator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['alignedallocator_2eh_11', ['alignedallocator.h', ['../alignedallocator_8h.xhtml', 1, '']]],\n     ['alignedallocator_5fimpl_2eh_12', ['alignedallocator_impl.h', ['../alignedallocator__impl_8h.xhtml', 1, '']]],\n     ['allocator_2eh_13', ['allocator.h', ['../allocator_8h.xhtml', 1, '']]],\n     ['analysisdata_2ecpp_14', ['analysisdata.cpp', ['../tests_2analysisdata_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../analysisdata_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n@@ -24,16 +24,16 @@\n         ['../src_2gromacs_2energyanalysis_2analysismodule_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['analysissettings_2ecpp_18', ['analysissettings.cpp', ['../analysissettings_8cpp.xhtml', 1, '']]],\n     ['analysissettings_2eh_19', ['analysissettings.h', ['../analysissettings_8h.xhtml', 1, '']]],\n     ['analysissettings_5fimpl_2eh_20', ['analysissettings_impl.h', ['../analysissettings__impl_8h.xhtml', 1, '']]],\n     ['andersentemperaturecoupling_2ecpp_21', ['andersentemperaturecoupling.cpp', ['../andersentemperaturecoupling_8cpp.xhtml', 1, '']]],\n     ['andersentemperaturecoupling_2eh_22', ['andersentemperaturecoupling.h', ['../andersentemperaturecoupling_8h.xhtml', 1, '']]],\n-    ['angle_2ecpp_23', ['angle.cpp', ['../modules_2angle_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2angle_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['angle_2ecpp_23', ['angle.cpp', ['../tests_2angle_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../modules_2angle_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['angle_2eh_24', ['angle.h', ['../angle_8h.xhtml', 1, '']]],\n     ['any_2ecpp_25', ['any.cpp', ['../any_8cpp.xhtml', 1, '']]],\n     ['any_2eh_26', ['any.h', ['../any_8h.xhtml', 1, '']]],\n     ['architecture_2eh_27', ['architecture.h', ['../architecture_8h.xhtml', 1, '']]],\n     ['arraydata_2ecpp_28', ['arraydata.cpp', ['../tests_2arraydata_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../arraydata_8cpp.xhtml', 1, '(Global Namespace)']\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -32,16 +32,16 @@\n     ['replicaexchange_5fequivalence_2ecpp_24', ['replicaexchange_equivalence.cpp', ['../replicaexchange__equivalence_8cpp.xhtml', 1, '']]],\n     ['report_5fmethods_2ecpp_25', ['report_methods.cpp', ['../tests_2report__methods_8cpp.xhtml', 1, '']]],\n     ['reportgpuusage_2ecpp_26', ['reportgpuusage.cpp', ['../reportgpuusage_8cpp.xhtml', 1, '']]],\n     ['reportgpuusage_2eh_27', ['reportgpuusage.h', ['../reportgpuusage_8h.xhtml', 1, '']]],\n     ['requirements_2ecpp_28', ['requirements.cpp', ['../tests_2requirements_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../requirements_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['requirements_2eh_29', ['requirements.h', ['../requirements_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2requirements_8h.xhtml', 1, '(Global Namespace)']\n+    ['requirements_2eh_29', ['requirements.h', ['../tests_2requirements_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../requirements_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['rerun_2ecpp_30', ['rerun.cpp', ['../programs_2mdrun_2tests_2rerun_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../gromacs_2mdrun_2rerun_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['resall_2eh_31', ['resall.h', ['../resall_8h.xhtml', 1, '']]],\n     ['resethandler_2ecpp_32', ['resethandler.cpp', ['../resethandler_8cpp.xhtml', 1, '']]],\n     ['resethandler_2eh_33', ['resethandler.h', ['../resethandler_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -63,16 +63,16 @@\n     ['setbothtime_2ecpp_49', ['setbothtime.cpp', ['../setbothtime_8cpp.xhtml', 1, '']]],\n     ['setbox_2eh_50', ['setbox.h', ['../setbox_8h.xhtml', 1, '']]],\n     ['setenv_2eh_51', ['setenv.h', ['../setenv_8h.xhtml', 1, '']]],\n     ['setforces_2ecpp_52', ['setforces.cpp', ['../setforces_8cpp.xhtml', 1, '']]],\n     ['setforces_2eh_53', ['setforces.h', ['../setforces_8h.xhtml', 1, '']]],\n     ['setprecision_2ecpp_54', ['setprecision.cpp', ['../setprecision_8cpp.xhtml', 1, '']]],\n     ['setprecision_2eh_55', ['setprecision.h', ['../setprecision_8h.xhtml', 1, '']]],\n-    ['setstarttime_2ecpp_56', ['setstarttime.cpp', ['../outputadapters_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['setstarttime_2ecpp_56', ['setstarttime.cpp', ['../tests_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../outputadapters_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['setstarttime_2eh_57', ['setstarttime.h', ['../setstarttime_8h.xhtml', 1, '']]],\n     ['settimestep_2ecpp_58', ['settimestep.cpp', ['../tests_2settimestep_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../outputadapters_2settimestep_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['settimestep_2eh_59', ['settimestep.h', ['../settimestep_8h.xhtml', 1, '']]],\n     ['settle_2ecpp_60', ['settle.cpp', ['../settle_8cpp.xhtml', 1, '(Global Namespace)'],\n@@ -92,16 +92,16 @@\n     ['setvelocities_2eh_72', ['setvelocities.h', ['../setvelocities_8h.xhtml', 1, '']]],\n     ['shake_2ecpp_73', ['shake.cpp', ['../shake_8cpp.xhtml', 1, '']]],\n     ['shake_2eh_74', ['shake.h', ['../shake_8h.xhtml', 1, '']]],\n     ['shellcompletions_2ecpp_75', ['shellcompletions.cpp', ['../shellcompletions_8cpp.xhtml', 1, '']]],\n     ['shellcompletions_2eh_76', ['shellcompletions.h', ['../shellcompletions_8h.xhtml', 1, '']]],\n     ['signallers_2ecpp_77', ['signallers.cpp', ['../signallers_8cpp.xhtml', 1, '']]],\n     ['signallers_2eh_78', ['signallers.h', ['../signallers_8h.xhtml', 1, '']]],\n-    ['simd_2eh_79', ['simd.h', ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)']\n+    ['simd_2eh_79', ['simd.h', ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['simd4_2eh_80', ['simd4.h', ['../simd4_8h.xhtml', 1, '']]],\n     ['simd_5fenergy_5faccumulator_2ecpp_81', ['simd_energy_accumulator.cpp', ['../tests_2simd__energy__accumulator_8cpp.xhtml', 1, '']]],\n     ['simd_5fkernel_2eh_82', ['simd_kernel.h', ['../simd__kernel_8h.xhtml', 1, '']]],\n     ['simd_5fload_5fstore_5ffunctions_2eh_83', ['simd_load_store_functions.h', ['../simd__load__store__functions_8h.xhtml', 1, '']]],\n     ['simd_5fmath_2eh_84', ['simd_math.h', ['../simd__math_8h.xhtml', 1, '']]],\n     ['simd_5fmemory_2ecpp_85', ['simd_memory.cpp', ['../simd__memory_8cpp.xhtml', 1, '']]],\n@@ -112,16 +112,16 @@\n     ['simple_5fmdrun_2ecpp_90', ['simple_mdrun.cpp', ['../simple__mdrun_8cpp.xhtml', 1, '']]],\n     ['simulation_5fworkload_2eh_91', ['simulation_workload.h', ['../simulation__workload_8h.xhtml', 1, '']]],\n     ['simulationcontext_2eh_92', ['simulationcontext.h', ['../simulationcontext_8h.xhtml', 1, '']]],\n     ['simulationdatabase_2ecpp_93', ['simulationdatabase.cpp', ['../simulationdatabase_8cpp.xhtml', 1, '']]],\n     ['simulationdatabase_2eh_94', ['simulationdatabase.h', ['../simulationdatabase_8h.xhtml', 1, '']]],\n     ['simulationinput_2eh_95', ['simulationinput.h', ['../simulationinput_8h.xhtml', 1, '']]],\n     ['simulationinputhandle_2eh_96', ['simulationinputhandle.h', ['../simulationinputhandle_8h.xhtml', 1, '']]],\n-    ['simulationsignal_2ecpp_97', ['simulationsignal.cpp', ['../tests_2simulationsignal_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../simulationsignal_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['simulationsignal_2ecpp_97', ['simulationsignal.cpp', ['../simulationsignal_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2simulationsignal_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['simulationsignal_2eh_98', ['simulationsignal.h', ['../simulationsignal_8h.xhtml', 1, '']]],\n     ['simulator_2ecpp_99', ['simulator.cpp', ['../simulator_8cpp.xhtml', 1, '']]],\n     ['simulatoralgorithm_2ecpp_100', ['simulatoralgorithm.cpp', ['../simulatoralgorithm_8cpp.xhtml', 1, '']]],\n     ['simulatoralgorithm_2eh_101', ['simulatoralgorithm.h', ['../simulatoralgorithm_8h.xhtml', 1, '']]],\n     ['simulatorbuilder_2ecpp_102', ['simulatorbuilder.cpp', ['../simulatorbuilder_8cpp.xhtml', 1, '']]],\n     ['simulatorcomparison_2ecpp_103', ['simulatorcomparison.cpp', ['../simulatorcomparison_8cpp.xhtml', 1, '']]],\n@@ -150,16 +150,16 @@\n     ['statepropagatordata_2ecpp_126', ['statepropagatordata.cpp', ['../statepropagatordata_8cpp.xhtml', 1, '']]],\n     ['statepropagatordata_2eh_127', ['statepropagatordata.h', ['../statepropagatordata_8h.xhtml', 1, '']]],\n     ['statistics_2eh_128', ['statistics.h', ['../statistics_8h.xhtml', 1, '']]],\n     ['stdiohelper_2ecpp_129', ['stdiohelper.cpp', ['../stdiohelper_8cpp.xhtml', 1, '']]],\n     ['stdiohelper_2eh_130', ['stdiohelper.h', ['../stdiohelper_8h.xhtml', 1, '']]],\n     ['stophandler_2ecpp_131', ['stophandler.cpp', ['../stophandler_8cpp.xhtml', 1, '']]],\n     ['stophandler_2eh_132', ['stophandler.h', ['../stophandler_8h.xhtml', 1, '']]],\n-    ['strconvert_2ecpp_133', ['strconvert.cpp', ['../tests_2strconvert_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../strconvert_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['strconvert_2ecpp_133', ['strconvert.cpp', ['../strconvert_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2strconvert_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['strconvert_2eh_134', ['strconvert.h', ['../strconvert_8h.xhtml', 1, '']]],\n     ['strdb_2eh_135', ['strdb.h', ['../strdb_8h.xhtml', 1, '']]],\n     ['stringcompare_2eh_136', ['stringcompare.h', ['../stringcompare_8h.xhtml', 1, '']]],\n     ['stringstream_2ecpp_137', ['stringstream.cpp', ['../stringstream_8cpp.xhtml', 1, '']]],\n     ['stringstream_2eh_138', ['stringstream.h', ['../stringstream_8h.xhtml', 1, '']]],\n     ['stringtest_2ecpp_139', ['stringtest.cpp', ['../stringtest_8cpp.xhtml', 1, '']]],\n@@ -175,14 +175,14 @@\n         ['../programs_2mdrun_2tests_2swapcoords_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['swapcoords_2eh_147', ['swapcoords.h', ['../swapcoords_8h.xhtml', 1, '']]],\n     ['sycl_5fkernel_5futils_2eh_148', ['sycl_kernel_utils.h', ['../sycl__kernel__utils_8h.xhtml', 1, '']]],\n     ['syclutils_2eh_149', ['syclutils.h', ['../syclutils_8h.xhtml', 1, '']]],\n     ['symrec_2ecpp_150', ['symrec.cpp', ['../symrec_8cpp.xhtml', 1, '']]],\n     ['symrec_2eh_151', ['symrec.h', ['../symrec_8h.xhtml', 1, '']]],\n-    ['symtab_2ecpp_152', ['symtab.cpp', ['../symtab_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2symtab_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['symtab_2ecpp_152', ['symtab.cpp', ['../tests_2symtab_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../symtab_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['symtab_2eh_153', ['symtab.h', ['../symtab_8h.xhtml', 1, '']]],\n     ['sysinfo_2ecpp_154', ['sysinfo.cpp', ['../sysinfo_8cpp.xhtml', 1, '']]],\n     ['sysinfo_2eh_155', ['sysinfo.h', ['../sysinfo_8h.xhtml', 1, '']]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_12.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_12.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -33,16 +33,16 @@\n     ['testoptions_2ecpp_31', ['testoptions.cpp', ['../testoptions_8cpp.xhtml', 1, '']]],\n     ['testoptions_2eh_32', ['testoptions.h', ['../testoptions_8h.xhtml', 1, '']]],\n     ['testsystem_2ecpp_33', ['testsystem.cpp', ['../testsystem_8cpp.xhtml', 1, '']]],\n     ['testsystem_2eh_34', ['testsystem.h', ['../testsystem_8h.xhtml', 1, '']]],\n     ['testutils_5fdoc_2eh_35', ['testutils_doc.h', ['../testutils__doc_8h.xhtml', 1, '']]],\n     ['textblockmatchers_2ecpp_36', ['textblockmatchers.cpp', ['../textblockmatchers_8cpp.xhtml', 1, '']]],\n     ['textblockmatchers_2eh_37', ['textblockmatchers.h', ['../textblockmatchers_8h.xhtml', 1, '']]],\n-    ['textreader_2ecpp_38', ['textreader.cpp', ['../textreader_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2textreader_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['textreader_2ecpp_38', ['textreader.cpp', ['../tests_2textreader_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../textreader_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['textreader_2eh_39', ['textreader.h', ['../textreader_8h.xhtml', 1, '']]],\n     ['textstream_2eh_40', ['textstream.h', ['../textstream_8h.xhtml', 1, '']]],\n     ['textwriter_2ecpp_41', ['textwriter.cpp', ['../textwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2textwriter_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['textwriter_2eh_42', ['textwriter.h', ['../textwriter_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_13.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_13.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -20,11 +20,11 @@\n         ['../usergpuids_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['usergpuids_2eh_18', ['usergpuids.h', ['../usergpuids_8h.xhtml', 1, '']]],\n     ['utilities_2eh_19', ['utilities.h', ['../src_2gromacs_2mimic_2utilities_8h.xhtml', 1, '(Global Namespace)'],\n         ['../src_2gromacs_2listed__forces_2utilities_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['utility_2ecpp_20', ['utility.cpp', ['../utility_8cpp.xhtml', 1, '']]],\n-    ['utility_2eh_21', ['utility.h', ['../utility_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../domdec_2utility_8h.xhtml', 1, '(Global Namespace)']\n+    ['utility_2eh_21', ['utility.h', ['../domdec_2utility_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../utility_8h.xhtml', 1, '(Global Namespace)']\n     ]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_2.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_2.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -10,24 +10,24 @@\n     ['checkpointdata_2ecpp_6', ['checkpointdata.cpp', ['../checkpointdata_8cpp.xhtml', 1, '']]],\n     ['checkpointdata_2eh_7', ['checkpointdata.h', ['../checkpointdata_8h.xhtml', 1, '']]],\n     ['checkpointhandler_2ecpp_8', ['checkpointhandler.cpp', ['../checkpointhandler_8cpp.xhtml', 1, '']]],\n     ['checkpointhandler_2eh_9', ['checkpointhandler.h', ['../checkpointhandler_8h.xhtml', 1, '']]],\n     ['checkpointhelper_2ecpp_10', ['checkpointhelper.cpp', ['../checkpointhelper_8cpp.xhtml', 1, '']]],\n     ['checkpointhelper_2eh_11', ['checkpointhelper.h', ['../checkpointhelper_8h.xhtml', 1, '']]],\n     ['classhelpers_2eh_12', ['classhelpers.h', ['../classhelpers_8h.xhtml', 1, '']]],\n-    ['clfftinitializer_2ecpp_13', ['clfftinitializer.cpp', ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['clfftinitializer_2ecpp_13', ['clfftinitializer.cpp', ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['clfftinitializer_2eh_14', ['clfftinitializer.h', ['../clfftinitializer_8h.xhtml', 1, '']]],\n     ['clusterdistancekerneltype_2eh_15', ['clusterdistancekerneltype.h', ['../clusterdistancekerneltype_8h.xhtml', 1, '']]],\n     ['clustsize_2ecpp_16', ['clustsize.cpp', ['../clustsize_8cpp.xhtml', 1, '']]],\n     ['cmdlinehelpcontext_2ecpp_17', ['cmdlinehelpcontext.cpp', ['../cmdlinehelpcontext_8cpp.xhtml', 1, '']]],\n     ['cmdlinehelpcontext_2eh_18', ['cmdlinehelpcontext.h', ['../cmdlinehelpcontext_8h.xhtml', 1, '']]],\n-    ['cmdlinehelpmodule_2ecpp_19', ['cmdlinehelpmodule.cpp', ['../tests_2cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinehelpmodule_2ecpp_19', ['cmdlinehelpmodule.cpp', ['../cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpmodule_2eh_20', ['cmdlinehelpmodule.h', ['../cmdlinehelpmodule_8h.xhtml', 1, '']]],\n     ['cmdlinehelpwriter_2ecpp_21', ['cmdlinehelpwriter.cpp', ['../tests_2cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpwriter_2eh_22', ['cmdlinehelpwriter.h', ['../cmdlinehelpwriter_8h.xhtml', 1, '']]],\n     ['cmdlineinit_2ecpp_23', ['cmdlineinit.cpp', ['../cmdlineinit_8cpp.xhtml', 1, '']]],\n@@ -75,16 +75,16 @@\n     ['colvarsoptions_2eh_53', ['colvarsoptions.h', ['../colvarsoptions_8h.xhtml', 1, '']]],\n     ['colvarspreprocessor_2ecpp_54', ['colvarspreprocessor.cpp', ['../tests_2colvarspreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../colvarspreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['colvarspreprocessor_2eh_55', ['colvarspreprocessor.h', ['../colvarspreprocessor_8h.xhtml', 1, '']]],\n     ['colvarssimulationsparameters_2ecpp_56', ['colvarssimulationsparameters.cpp', ['../colvarssimulationsparameters_8cpp.xhtml', 1, '']]],\n     ['colvarssimulationsparameters_2eh_57', ['colvarssimulationsparameters.h', ['../colvarssimulationsparameters_8h.xhtml', 1, '']]],\n-    ['com_2ecpp_58', ['com.cpp', ['../com_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2com_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['com_2ecpp_58', ['com.cpp', ['../tests_2com_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../com_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['com_2eh_59', ['com.h', ['../com_8h.xhtml', 1, '']]],\n     ['compare_2eh_60', ['compare.h', ['../compare_8h.xhtml', 1, '']]],\n     ['comparison_5fhelpers_2eh_61', ['comparison_helpers.h', ['../comparison__helpers_8h.xhtml', 1, '']]],\n     ['compiler_2ecpp_62', ['compiler.cpp', ['../compiler_8cpp.xhtml', 1, '']]],\n     ['compiler_2eh_63', ['compiler.h', ['../compiler_8h.xhtml', 1, '']]],\n     ['complex_2ecpp_64', ['complex.cpp', ['../complex_8cpp.xhtml', 1, '']]],\n@@ -109,16 +109,16 @@\n     ['constrtestdata_2eh_81', ['constrtestdata.h', ['../constrtestdata_8h.xhtml', 1, '']]],\n     ['constrtestrunners_2ecpp_82', ['constrtestrunners.cpp', ['../constrtestrunners_8cpp.xhtml', 1, '']]],\n     ['constrtestrunners_2eh_83', ['constrtestrunners.h', ['../constrtestrunners_8h.xhtml', 1, '']]],\n     ['constrtestrunners_5fgpu_2ecpp_84', ['constrtestrunners_gpu.cpp', ['../constrtestrunners__gpu_8cpp.xhtml', 1, '']]],\n     ['convert_2dtpr_2dfixture_2eh_85', ['convert-tpr-fixture.h', ['../convert-tpr-fixture_8h.xhtml', 1, '']]],\n     ['convert_2dtpr_2dwith_2dleaks_2ecpp_86', ['convert-tpr-with-leaks.cpp', ['../convert-tpr-with-leaks_8cpp.xhtml', 1, '']]],\n     ['convert_2dtpr_2ecpp_87', ['convert-tpr.cpp', ['../convert-tpr_8cpp.xhtml', 1, '']]],\n-    ['convert_5ftrj_2ecpp_88', ['convert_trj.cpp', ['../modules_2convert__trj_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2convert__trj_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['convert_5ftrj_2ecpp_88', ['convert_trj.cpp', ['../tests_2convert__trj_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../modules_2convert__trj_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['convert_5ftrj_2eh_89', ['convert_trj.h', ['../convert__trj_8h.xhtml', 1, '']]],\n     ['convparm_2ecpp_90', ['convparm.cpp', ['../tests_2convparm_8cpp.xhtml', 1, '']]],\n     ['coolstuff_2ecpp_91', ['coolstuff.cpp', ['../coolstuff_8cpp.xhtml', 1, '']]],\n     ['coolstuff_2eh_92', ['coolstuff.h', ['../coolstuff_8h.xhtml', 1, '']]],\n     ['coordinate_5ftest_2eh_93', ['coordinate_test.h', ['../coordinate__test_8h.xhtml', 1, '']]],\n     ['coordinatefile_2ecpp_94', ['coordinatefile.cpp', ['../coordinatefile_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_3.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_3.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -27,25 +27,25 @@\n     ['densityfitting_2ecpp_23', ['densityfitting.cpp', ['../tests_2densityfitting_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../densityfitting_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingamplitudelookup_2ecpp_24', ['densityfittingamplitudelookup.cpp', ['../tests_2densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingamplitudelookup_2eh_25', ['densityfittingamplitudelookup.h', ['../densityfittingamplitudelookup_8h.xhtml', 1, '']]],\n-    ['densityfittingforce_2ecpp_26', ['densityfittingforce.cpp', ['../tests_2densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfittingforce_2ecpp_26', ['densityfittingforce.cpp', ['../densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforce_2eh_27', ['densityfittingforce.h', ['../densityfittingforce_8h.xhtml', 1, '']]],\n     ['densityfittingforceprovider_2ecpp_28', ['densityfittingforceprovider.cpp', ['../tests_2densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforceprovider_2eh_29', ['densityfittingforceprovider.h', ['../densityfittingforceprovider_8h.xhtml', 1, '']]],\n     ['densityfittingmodule_2ecpp_30', ['densityfittingmodule.cpp', ['../densityfittingmodule_8cpp.xhtml', 1, '']]],\n-    ['densityfittingoptions_2ecpp_31', ['densityfittingoptions.cpp', ['../densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfittingoptions_2ecpp_31', ['densityfittingoptions.cpp', ['../tests_2densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingoptions_2eh_32', ['densityfittingoptions.h', ['../densityfittingoptions_8h.xhtml', 1, '']]],\n     ['densityfittingoutputprovider_2ecpp_33', ['densityfittingoutputprovider.cpp', ['../densityfittingoutputprovider_8cpp.xhtml', 1, '']]],\n     ['densityfittingoutputprovider_2eh_34', ['densityfittingoutputprovider.h', ['../densityfittingoutputprovider_8h.xhtml', 1, '']]],\n     ['densityfittingparameters_2eh_35', ['densityfittingparameters.h', ['../densityfittingparameters_8h.xhtml', 1, '']]],\n     ['device_5favailability_2ecpp_36', ['device_availability.cpp', ['../device__availability_8cpp.xhtml', 1, '']]],\n     ['device_5fbuffer_2ecpp_37', ['device_buffer.cpp', ['../device__buffer_8cpp.xhtml', 1, '']]],\n@@ -54,16 +54,16 @@\n     ['device_5fcontext_5focl_2ecpp_40', ['device_context_ocl.cpp', ['../device__context__ocl_8cpp.xhtml', 1, '']]],\n     ['device_5fcontext_5fsycl_2ecpp_41', ['device_context_sycl.cpp', ['../device__context__sycl_8cpp.xhtml', 1, '']]],\n     ['device_5fevent_2eh_42', ['device_event.h', ['../device__event_8h.xhtml', 1, '']]],\n     ['device_5fevent_5fhip_2eh_43', ['device_event_hip.h', ['../device__event__hip_8h.xhtml', 1, '']]],\n     ['device_5fevent_5focl_2eh_44', ['device_event_ocl.h', ['../device__event__ocl_8h.xhtml', 1, '']]],\n     ['device_5fevent_5fsycl_2eh_45', ['device_event_sycl.h', ['../device__event__sycl_8h.xhtml', 1, '']]],\n     ['device_5finformation_2eh_46', ['device_information.h', ['../device__information_8h.xhtml', 1, '']]],\n-    ['device_5fmanagement_2ecpp_47', ['device_management.cpp', ['../device__management_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2device__management_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['device_5fmanagement_2ecpp_47', ['device_management.cpp', ['../tests_2device__management_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../device__management_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['device_5fmanagement_2eh_48', ['device_management.h', ['../device__management_8h.xhtml', 1, '']]],\n     ['device_5fmanagement_5fcommon_2ecpp_49', ['device_management_common.cpp', ['../device__management__common_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fhip_2ecpp_50', ['device_management_hip.cpp', ['../device__management__hip_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5focl_2ecpp_51', ['device_management_ocl.cpp', ['../device__management__ocl_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fshared_5famd_2ecpp_52', ['device_management_shared_amd.cpp', ['../device__management__shared__amd_8cpp.xhtml', 1, '']]],\n     ['device_5fmanagement_5fshared_5famd_2eh_53', ['device_management_shared_amd.h', ['../device__management__shared__amd_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_4.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_4.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -13,16 +13,16 @@\n     ['energydata_2eh_9', ['energydata.h', ['../energydata_8h.xhtml', 1, '']]],\n     ['energydrifttracker_2ecpp_10', ['energydrifttracker.cpp', ['../tests_2energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['energydrifttracker_2eh_11', ['energydrifttracker.h', ['../energydrifttracker_8h.xhtml', 1, '']]],\n     ['energyframe_2ecpp_12', ['energyframe.cpp', ['../energyframe_8cpp.xhtml', 1, '']]],\n     ['energyhistory_2eh_13', ['energyhistory.h', ['../energyhistory_8h.xhtml', 1, '']]],\n-    ['energyoutput_2ecpp_14', ['energyoutput.cpp', ['../tests_2energyoutput_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../energyoutput_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['energyoutput_2ecpp_14', ['energyoutput.cpp', ['../energyoutput_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2energyoutput_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['energyoutput_2eh_15', ['energyoutput.h', ['../energyoutput_8h.xhtml', 1, '']]],\n     ['energyreader_2ecpp_16', ['energyreader.cpp', ['../energyreader_8cpp.xhtml', 1, '']]],\n     ['energyreader_2eh_17', ['energyreader.h', ['../energyreader_8h.xhtml', 1, '']]],\n     ['energyterm_2ecpp_18', ['energyterm.cpp', ['../tests_2energyterm_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../energyterm_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_5.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_5.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -27,16 +27,16 @@\n     ['findallgputasks_2ecpp_21', ['findallgputasks.cpp', ['../findallgputasks_8cpp.xhtml', 1, '']]],\n     ['findallgputasks_2eh_22', ['findallgputasks.h', ['../findallgputasks_8h.xhtml', 1, '']]],\n     ['firstorderpressurecoupling_2ecpp_23', ['firstorderpressurecoupling.cpp', ['../firstorderpressurecoupling_8cpp.xhtml', 1, '']]],\n     ['firstorderpressurecoupling_2eh_24', ['firstorderpressurecoupling.h', ['../firstorderpressurecoupling_8h.xhtml', 1, '']]],\n     ['fixedcapacityvector_2ecpp_25', ['fixedcapacityvector.cpp', ['../fixedcapacityvector_8cpp.xhtml', 1, '']]],\n     ['fixedcapacityvector_2eh_26', ['fixedcapacityvector.h', ['../fixedcapacityvector_8h.xhtml', 1, '']]],\n     ['flags_2eh_27', ['flags.h', ['../flags_8h.xhtml', 1, '']]],\n-    ['forcebuffers_2ecpp_28', ['forcebuffers.cpp', ['../tests_2forcebuffers_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../forcebuffers_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['forcebuffers_2ecpp_28', ['forcebuffers.cpp', ['../forcebuffers_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2forcebuffers_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['forcebuffers_2eh_29', ['forcebuffers.h', ['../forcebuffers_8h.xhtml', 1, '']]],\n     ['forceelement_2ecpp_30', ['forceelement.cpp', ['../forceelement_8cpp.xhtml', 1, '']]],\n     ['forceelement_2eh_31', ['forceelement.h', ['../forceelement_8h.xhtml', 1, '']]],\n     ['forceoutput_2eh_32', ['forceoutput.h', ['../forceoutput_8h.xhtml', 1, '']]],\n     ['forcetable_2eh_33', ['forcetable.h', ['../forcetable_8h.xhtml', 1, '']]],\n     ['frameaverager_2ecpp_34', ['frameaverager.cpp', ['../frameaverager_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_7.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_7.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -23,16 +23,16 @@\n     ['helpformat_2eh_15', ['helpformat.h', ['../helpformat_8h.xhtml', 1, '']]],\n     ['helpmanager_2ecpp_16', ['helpmanager.cpp', ['../helpmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2helpmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpmanager_2eh_17', ['helpmanager.h', ['../helpmanager_8h.xhtml', 1, '']]],\n     ['helptopic_2ecpp_18', ['helptopic.cpp', ['../helptopic_8cpp.xhtml', 1, '']]],\n     ['helptopic_2eh_19', ['helptopic.h', ['../helptopic_8h.xhtml', 1, '']]],\n-    ['helpwritercontext_2ecpp_20', ['helpwritercontext.cpp', ['../helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['helpwritercontext_2ecpp_20', ['helpwritercontext.cpp', ['../tests_2helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpwritercontext_2eh_21', ['helpwritercontext.h', ['../helpwritercontext_8h.xhtml', 1, '']]],\n     ['helpwriting_2ecpp_22', ['helpwriting.cpp', ['../programs_2mdrun_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../gromacs_2tools_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hip_5fkernel_5futils_2eh_23', ['hip_kernel_utils.h', ['../hip__kernel__utils_8h.xhtml', 1, '']]],\n     ['hip_5fsycl_5fkernel_5futils_2eh_24', ['hip_sycl_kernel_utils.h', ['../hip__sycl__kernel__utils_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_b.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_b.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -8,16 +8,16 @@\n     ['manager_2ecpp_6', ['manager.cpp', ['../manager_8cpp.xhtml', 1, '']]],\n     ['manager_2eh_7', ['manager.h', ['../manager_8h.xhtml', 1, '']]],\n     ['manyautocorrelation_2ecpp_8', ['manyautocorrelation.cpp', ['../manyautocorrelation_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2manyautocorrelation_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['manyautocorrelation_2eh_9', ['manyautocorrelation.h', ['../manyautocorrelation_8h.xhtml', 1, '']]],\n     ['matio_2ecpp_10', ['matio.cpp', ['../tests_2matio_8cpp.xhtml', 1, '']]],\n-    ['matrix_2ecpp_11', ['matrix.cpp', ['../math_2matrix_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../math_2tests_2matrix_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['matrix_2ecpp_11', ['matrix.cpp', ['../math_2tests_2matrix_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../math_2matrix_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['matrix_2eh_12', ['matrix.h', ['../math_2include_2gromacs_2math_2matrix_8h.xhtml', 1, '']]],\n     ['md_2ecpp_13', ['md.cpp', ['../md_8cpp.xhtml', 1, '']]],\n     ['md_5fenums_2eh_14', ['md_enums.h', ['../md__enums_8h.xhtml', 1, '']]],\n     ['mdgpugraph_2ecpp_15', ['mdgpugraph.cpp', ['../mdgpugraph_8cpp.xhtml', 1, '']]],\n     ['mdgraph_5fgpu_2eh_16', ['mdgraph_gpu.h', ['../mdgraph__gpu_8h.xhtml', 1, '']]],\n     ['mdgraph_5fgpu_5fimpl_2ecpp_17', ['mdgraph_gpu_impl.cpp', ['../mdgraph__gpu__impl_8cpp.xhtml', 1, '']]],\n@@ -53,40 +53,40 @@\n     ['mock_5fhelptopic_2eh_41', ['mock_helptopic.h', ['../mock__helptopic_8h.xhtml', 1, '']]],\n     ['mockhardwaretopology_2ecpp_42', ['mockhardwaretopology.cpp', ['../mockhardwaretopology_8cpp.xhtml', 1, '']]],\n     ['modularsimulator_2ecpp_43', ['modularsimulator.cpp', ['../modularsimulator_8cpp.xhtml', 1, '']]],\n     ['modularsimulator_2eh_44', ['modularsimulator.h', ['../modularsimulator_8h.xhtml', 1, '']]],\n     ['modularsimulatorinterfaces_2eh_45', ['modularsimulatorinterfaces.h', ['../modularsimulatorinterfaces_8h.xhtml', 1, '']]],\n     ['modules_2ecpp_46', ['modules.cpp', ['../modules_8cpp.xhtml', 1, '']]],\n     ['modules_2eh_47', ['modules.h', ['../modules_8h.xhtml', 1, '']]],\n-    ['moduletest_2ecpp_48', ['moduletest.cpp', ['../gromacs_2trajectoryanalysis_2tests_2moduletest_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../programs_2mdrun_2tests_2moduletest_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['moduletest_2ecpp_48', ['moduletest.cpp', ['../programs_2mdrun_2tests_2moduletest_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../gromacs_2trajectoryanalysis_2tests_2moduletest_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['moduletest_2eh_49', ['moduletest.h', ['../programs_2mdrun_2tests_2moduletest_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../gromacs_2trajectoryanalysis_2tests_2moduletest_8h.xhtml', 1, '(Global Namespace)']\n+    ['moduletest_2eh_49', ['moduletest.h', ['../gromacs_2trajectoryanalysis_2tests_2moduletest_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../programs_2mdrun_2tests_2moduletest_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mp11_2eh_50', ['mp11.h', ['../mp11_8h.xhtml', 1, '']]],\n     ['mpi_5fprinter_2eh_51', ['mpi_printer.h', ['../mpi__printer_8h.xhtml', 1, '']]],\n-    ['mpitest_2ecpp_52', ['mpitest.cpp', ['../mpitest_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2mpitest_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mpitest_2ecpp_52', ['mpitest.cpp', ['../tests_2mpitest_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../mpitest_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mpitest_2eh_53', ['mpitest.h', ['../mpitest_8h.xhtml', 1, '']]],\n     ['mrcdensitymap_2ecpp_54', ['mrcdensitymap.cpp', ['../tests_2mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymap_2eh_55', ['mrcdensitymap.h', ['../mrcdensitymap_8h.xhtml', 1, '']]],\n-    ['mrcdensitymapheader_2ecpp_56', ['mrcdensitymapheader.cpp', ['../mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mrcdensitymapheader_2ecpp_56', ['mrcdensitymapheader.cpp', ['../tests_2mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymapheader_2eh_57', ['mrcdensitymapheader.h', ['../mrcdensitymapheader_8h.xhtml', 1, '']]],\n-    ['mrcserializer_2ecpp_58', ['mrcserializer.cpp', ['../tests_2mrcserializer_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../mrcserializer_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mrcserializer_2ecpp_58', ['mrcserializer.cpp', ['../mrcserializer_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2mrcserializer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcserializer_2eh_59', ['mrcserializer.h', ['../mrcserializer_8h.xhtml', 1, '']]],\n-    ['msd_2ecpp_60', ['msd.cpp', ['../tests_2msd_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../modules_2msd_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['msd_2ecpp_60', ['msd.cpp', ['../modules_2msd_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2msd_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['msd_2eh_61', ['msd.h', ['../msd_8h.xhtml', 1, '']]],\n     ['mshift_2ecpp_62', ['mshift.cpp', ['../tests_2mshift_8cpp.xhtml', 1, '']]],\n     ['mtop_2ecpp_63', ['mtop.cpp', ['../mtop_8cpp.xhtml', 1, '']]],\n     ['mtop_5fatomloops_2eh_64', ['mtop_atomloops.h', ['../mtop__atomloops_8h.xhtml', 1, '']]],\n     ['mtop_5flookup_2eh_65', ['mtop_lookup.h', ['../mtop__lookup_8h.xhtml', 1, '']]],\n     ['mttk_2ecpp_66', ['mttk.cpp', ['../mttk_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_c.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_c.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -63,16 +63,16 @@\n     ['neldermead_2eh_57', ['neldermead.h', ['../neldermead_8h.xhtml', 1, '']]],\n     ['niceheader_2ecpp_58', ['niceheader.cpp', ['../niceheader_8cpp.xhtml', 1, '']]],\n     ['niceheader_2eh_59', ['niceheader.h', ['../niceheader_8h.xhtml', 1, '']]],\n     ['nnpot_2ecpp_60', ['nnpot.cpp', ['../nnpot_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2nnpot_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpot_2eh_61', ['nnpot.h', ['../nnpot_8h.xhtml', 1, '']]],\n-    ['nnpotforceprovider_2ecpp_62', ['nnpotforceprovider.cpp', ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpotforceprovider_2ecpp_62', ['nnpotforceprovider.cpp', ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpotforceprovider_2eh_63', ['nnpotforceprovider.h', ['../nnpotforceprovider_8h.xhtml', 1, '']]],\n     ['nnpotforceprovider_5fstub_2ecpp_64', ['nnpotforceprovider_stub.cpp', ['../nnpotforceprovider__stub_8cpp.xhtml', 1, '']]],\n     ['nnpotmodel_2eh_65', ['nnpotmodel.h', ['../nnpotmodel_8h.xhtml', 1, '']]],\n     ['nnpotoptions_2ecpp_66', ['nnpotoptions.cpp', ['../tests_2nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_e.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_e.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -42,16 +42,16 @@\n     ['pbc_2ecpp_34', ['pbc.cpp', ['../tests_2pbc_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../pbc_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pbc_5faiuc_2eh_35', ['pbc_aiuc.h', ['../pbc__aiuc_8h.xhtml', 1, '']]],\n     ['pbc_5faiuc_5fsycl_2eh_36', ['pbc_aiuc_sycl.h', ['../pbc__aiuc__sycl_8h.xhtml', 1, '']]],\n     ['pbc_5fsimd_2ecpp_37', ['pbc_simd.cpp', ['../pbc__simd_8cpp.xhtml', 1, '']]],\n     ['pbc_5fsimd_2eh_38', ['pbc_simd.h', ['../pbc__simd_8h.xhtml', 1, '']]],\n-    ['pbcenums_2ecpp_39', ['pbcenums.cpp', ['../tests_2pbcenums_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../pbcenums_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['pbcenums_2ecpp_39', ['pbcenums.cpp', ['../pbcenums_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2pbcenums_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pbcenums_2eh_40', ['pbcenums.h', ['../pbcenums_8h.xhtml', 1, '']]],\n     ['pdb2gmx_2ecpp_41', ['pdb2gmx.cpp', ['../tests_2pdb2gmx_8cpp.xhtml', 1, '']]],\n     ['periodicactions_2ecpp_42', ['periodicactions.cpp', ['../periodicactions_8cpp.xhtml', 1, '']]],\n     ['periodicactions_2eh_43', ['periodicactions.h', ['../periodicactions_8h.xhtml', 1, '']]],\n     ['periodicactions_5fbasic_2ecpp_44', ['periodicactions_basic.cpp', ['../periodicactions__basic_8cpp.xhtml', 1, '']]],\n     ['periodicactions_5fconstraints_2ecpp_45', ['periodicactions_constraints.cpp', ['../periodicactions__constraints_8cpp.xhtml', 1, '']]],\n@@ -74,16 +74,16 @@\n     ['plumedoptions_2eh_60', ['plumedOptions.h', ['../plumedOptions_8h.xhtml', 1, '']]],\n     ['plumedtestutils_2ecpp_61', ['plumedTestUtils.cpp', ['../plumedTestUtils_8cpp.xhtml', 1, '']]],\n     ['plumedtestutils_2eh_62', ['plumedTestUtils.h', ['../plumedTestUtils_8h.xhtml', 1, '']]],\n     ['pmalloc_2ecpp_63', ['pmalloc.cpp', ['../pmalloc_8cpp.xhtml', 1, '']]],\n     ['pmalloc_2eh_64', ['pmalloc.h', ['../pmalloc_8h.xhtml', 1, '']]],\n     ['pmalloc_5fhip_2ecpp_65', ['pmalloc_hip.cpp', ['../pmalloc__hip_8cpp.xhtml', 1, '']]],\n     ['pmalloc_5fsycl_2ecpp_66', ['pmalloc_sycl.cpp', ['../pmalloc__sycl_8cpp.xhtml', 1, '']]],\n-    ['pme_2ecpp_67', ['pme.cpp', ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../pme_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['pme_2ecpp_67', ['pme.cpp', ['../pme_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pme_2eh_68', ['pme.h', ['../pme_8h.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_2eh_69', ['pme_coordinate_receiver_gpu.h', ['../pme__coordinate__receiver__gpu_8h.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2ecpp_70', ['pme_coordinate_receiver_gpu_impl.cpp', ['../pme__coordinate__receiver__gpu__impl_8cpp.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2eh_71', ['pme_coordinate_receiver_gpu_impl.h', ['../pme__coordinate__receiver__gpu__impl_8h.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_5fgpu_2ecpp_72', ['pme_coordinate_receiver_gpu_impl_gpu.cpp', ['../pme__coordinate__receiver__gpu__impl__gpu_8cpp.xhtml', 1, '']]],\n     ['pme_5fforce_5fsender_5fgpu_2eh_73', ['pme_force_sender_gpu.h', ['../pme__force__sender__gpu_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -4,20 +4,20 @@\n     ]],\n     ['qmmm_2eh_1', ['qmmm.h', ['../qmmm_8h.xhtml', 1, '']]],\n     ['qmmmforceprovider_2ecpp_2', ['qmmmforceprovider.cpp', ['../qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmforceprovider_2eh_3', ['qmmmforceprovider.h', ['../qmmmforceprovider_8h.xhtml', 1, '']]],\n     ['qmmmforceprovider_5fstub_2ecpp_4', ['qmmmforceprovider_stub.cpp', ['../qmmmforceprovider__stub_8cpp.xhtml', 1, '']]],\n-    ['qmmminputgenerator_2ecpp_5', ['qmmminputgenerator.cpp', ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['qmmminputgenerator_2ecpp_5', ['qmmminputgenerator.cpp', ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmminputgenerator_2eh_6', ['qmmminputgenerator.h', ['../qmmminputgenerator_8h.xhtml', 1, '']]],\n-    ['qmmmoptions_2ecpp_7', ['qmmmoptions.cpp', ['../tests_2qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['qmmmoptions_2ecpp_7', ['qmmmoptions.cpp', ['../qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmoptions_2eh_8', ['qmmmoptions.h', ['../qmmmoptions_8h.xhtml', 1, '']]],\n     ['qmmmtopologypreprocessor_2ecpp_9', ['qmmmtopologypreprocessor.cpp', ['../qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmtopologypreprocessor_2eh_10', ['qmmmtopologypreprocessor.h', ['../qmmmtopologypreprocessor_8h.xhtml', 1, '']]],\n     ['qmmmtypes_2eh_11', ['qmmmtypes.h', ['../qmmmtypes_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "unified_diff": "@@ -156,15 +156,15 @@\n <dd><a class=\"anchor\" id=\"_todo000194\"></a> One of the major bottlenecks for selection performance is that all the evaluation is carried out for atoms. There are several cases when the evaluation could be done for residues or molecules instead, including keywords that select by residue and cases where residue centers are used as reference positions. Implementing this would require a mechanism for recognizing whether something can be evaluated by residue/molecule instead by atom, and converting selections by residue/molecule into selections by atom when necessary. </dd>\n <dt>File <a class=\"el\" href=\"exactcontinuation_8cpp.xhtml\">exactcontinuation.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000227\"></a>Extend the coverage to the appending case. </dd>\n <dt>File <a class=\"el\" href=\"tests_2expanded_8cpp.xhtml\">expanded.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000101\"></a>Add more tests as the expanded ensemble implementation gets more modular (#3848). </dd>\n <dt>File <a class=\"el\" href=\"expandedensemble_8cpp.xhtml\">expandedensemble.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000232\"></a>Extend the coverage to the appending case. </dd>\n-<dt>Member <a class=\"el\" href=\"device__management__sycl_8cpp.xhtml#a0579937ac9ed3975d887a3d976d94899\">findDevices</a>  ()</dt>\n+<dt>Member <a class=\"el\" href=\"device__management_8cpp.xhtml#a0579937ac9ed3975d887a3d976d94899\">findDevices</a>  ()</dt>\n <dd><a class=\"anchor\" id=\"_todo000061\"></a>: Check if errors do propagate in OpenCL as they do in CUDA and whether there is a mechanism to \"clear\" them. </dd>\n <dt>Member <a class=\"el\" href=\"expfit_8h.xhtml#a560ea7d97277b9e0576776ec695fb9b3\">fit_acf</a>  (int ncorr, int fitfn, const gmx_output_env_t *oenv, gmx_bool bVerbose, real tbeginfit, real tendfit, real dt, real c1[], real *fit)</dt>\n <dd><a class=\"anchor\" id=\"_todo000015\"></a>check parameters  </dd>\n <dt>Member <a class=\"el\" href=\"src_2gromacs_2listed__forces_2utilities_8h.xhtml#a02435a07d79c82f6d260d8a2dcc82b90\">ftype_is_bonded_potential</a>  (int ftype)</dt>\n <dd><a class=\"anchor\" id=\"_todo000075\"></a>This function could go away when idef is not a big bucket of everything.  </dd>\n <dt>Member <a class=\"el\" href=\"src_2gromacs_2listed__forces_2utilities_8h.xhtml#aba08e75fc4e249fb9ee806cf08781ff5\">ftypeIsListedPotential</a>  (int ftype)</dt>\n <dd><a class=\"anchor\" id=\"_todo000074\"></a>This function could go away when idef is not a big bucket of everything.  </dd>\n@@ -477,15 +477,15 @@\n <dd><p class=\"startdd\"><a class=\"anchor\" id=\"_todo000270\"></a>Eventually t_trxframe should be replaced by a class such as this. Currently we need to introduce BoxMatrix so that we can have a normal C++ getter that returns the contents of a box matrix, since you cannot use a real[DIM][DIM] as a function return type.</p>\n <p class=\"enddd\"><a class=\"anchor\" id=\"_todo000271\"></a>Consider a std::optional work-alike type for expressing that a field may or may not have content.  </p>\n </dd>\n <dt>Struct <a class=\"el\" href=\"structgmx__hw__opt__t.xhtml\">gmx_hw_opt_t</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000065\"></a>During mdrunner(), if the user has left any of these values at their defaults (which tends to mean \"choose automatically\"), then those values are over-written with the result of such automation. This creates problems for the subsequent code in knowing what was done, why, and reporting correctly to the user. Find a way to improve this.  </dd>\n <dt>Struct <a class=\"el\" href=\"structgmx__multisim__t.xhtml\">gmx_multisim_t</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000152\"></a>Change this to class  </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a>  (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &amp;numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &amp;mdlog, std::shared_ptr&lt; PmeGridsStorage &gt; pmeGridsStoragePtr)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a>  (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &amp;numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &amp;mdlog, std::shared_ptr&lt; PmeGridsStorage &gt; pmeGridsStoragePtr)</dt>\n <dd><a class=\"anchor\" id=\"_todo000024\"></a>We should evolve something like a <code>GpuManager</code> that holds <code>DeviceInformation*</code> and <code>PmeGpuProgram*</code> and perhaps other related things whose lifetime can/should exceed that of a task (or perhaps task manager). See Issue #2522.  </dd>\n <dt>Member <a class=\"el\" href=\"group__module__utility.xhtml#ga33e34477bae2bbb86c4d9af1823e3fd0\">GMX_UNUSED_VALUE</a>  (value)</dt>\n <dd><a class=\"anchor\" id=\"_todo000275\"></a>Deprecated - use gmx_unused  </dd>\n <dt>File <a class=\"el\" href=\"programs_2mdrun_2tests_2grompp_8cpp.xhtml\">grompp.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000233\"></a>Refactor SimulationRunner to split off SimulationPreparer, so that integration tests of grompp can stand apart from tests of mdrun. </dd>\n <dt>File <a class=\"el\" href=\"haloexchange__mpi_8cpp.xhtml\">haloexchange_mpi.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000020\"></a>Add 3D case </dd>\n@@ -565,15 +565,15 @@\n <dd><a class=\"anchor\" id=\"_todo000032\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__staging_8h.xhtml\">pme_gpu_staging.h</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000033\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; bringing the function names up to guidelines &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks &ndash; refining GPU notation application (#2053) &ndash; renaming coefficients to charges (?) </dd>\n <dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9faddde52f5a636410141f52cc95d3e1\">pme_gpu_task_enabled</a>  (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000026\"></a>This is a rather static data that should be managed by the hardware assignment manager. For now, it is synonymous with the active PME codepath (in the absence of dynamic switching). </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__types__host_8h.xhtml\">pme_gpu_types_host.h</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000034\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; bringing the function names up to guidelines &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks &ndash; refining GPU notation application (#2053) &ndash; renaming coefficients to charges (?) </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a>  (const gmx_pme_t *pme)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a>  (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000025\"></a>This is a rather static data that should be managed by the higher level task scheduler. </dd>\n <dt>Member <a class=\"el\" href=\"structPmeGpu.xhtml#a592a545094c1ba0847e5e5223c981cc9\">PmeGpu::kernelParams</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000036\"></a>Test whether this should be copied to the constant GPU memory once for each computation (or even less often with no box updates) instead of being an argument.  </dd>\n <dt>Struct <a class=\"el\" href=\"structPmeGpuProgramImpl.xhtml\">PmeGpuProgramImpl</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000031\"></a>In future if we would need to react to either user input or auto-tuning to compile different kernels, then we might wish to revisit the number of kernels we pre-compile, and/or the management of their lifetime. </dd>\n <dt>Member <a class=\"el\" href=\"pme_8h.xhtml#adc082ed1af9a4868af13352373ed3791\">PmeRunMode</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000023\"></a>: make this enum class with gmx_pme_t C++ refactoring  </dd>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_15.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_15.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -595,22 +595,22 @@\n     ['simd_20intrinsics_20interface_20simd_392', ['SIMD intrinsics interface (simd)', ['../group__module__simd.xhtml', 1, '']]],\n     ['simd_20math_20library_393', ['The SIMD math library', ['../page_simd.xhtml#autotoc_md70', 1, '']]],\n     ['simd_20module_394', ['Design of the GROMACS SIMD module', ['../page_simd.xhtml#autotoc_md57', 1, '']]],\n     ['simd_20preprocessor_20macros_395', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n     ['simd_2eh_396', ['simd.h', ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '']]],\n     ['simd4_20implementation_397', ['SIMD4 implementation', ['../page_simd.xhtml#autotoc_md64', 1, '']]],\n     ['simd4bool_398', ['Simd4Bool', ['../namespacegmx.xhtml#acb6a84be080be397c2c09cda9f315037', 1, 'gmx']]],\n-    ['simd4dbool_399', ['simd4dbool', ['../classgmx_1_1Simd4DBool.xhtml', 1, 'gmx::Simd4DBool'],\n-        ['../classgmx_1_1Simd4DBool.xhtml#a428de6b27a42a06dd0fd632660b3ae9d', 1, 'gmx::Simd4DBool::Simd4DBool()']\n+    ['simd4dbool_399', ['simd4dbool', ['../classgmx_1_1Simd4DBool.xhtml#a428de6b27a42a06dd0fd632660b3ae9d', 1, 'gmx::Simd4DBool::Simd4DBool()'],\n+        ['../classgmx_1_1Simd4DBool.xhtml', 1, 'gmx::Simd4DBool']\n     ]],\n-    ['simd4double_400', ['simd4double', ['../classgmx_1_1Simd4Double.xhtml', 1, 'gmx::Simd4Double'],\n-        ['../classgmx_1_1Simd4Double.xhtml#a92931f93554548894cd5daa60af49525', 1, 'gmx::Simd4Double::Simd4Double()']\n+    ['simd4double_400', ['simd4double', ['../classgmx_1_1Simd4Double.xhtml#a92931f93554548894cd5daa60af49525', 1, 'gmx::Simd4Double::Simd4Double()'],\n+        ['../classgmx_1_1Simd4Double.xhtml', 1, 'gmx::Simd4Double']\n     ]],\n-    ['simd4fbool_401', ['simd4fbool', ['../classgmx_1_1Simd4FBool.xhtml', 1, 'gmx::Simd4FBool'],\n-        ['../classgmx_1_1Simd4FBool.xhtml#ad64754cbb774d9cab1ed08c49a6e28bc', 1, 'gmx::Simd4FBool::Simd4FBool()']\n+    ['simd4fbool_401', ['simd4fbool', ['../classgmx_1_1Simd4FBool.xhtml#ad64754cbb774d9cab1ed08c49a6e28bc', 1, 'gmx::Simd4FBool::Simd4FBool()'],\n+        ['../classgmx_1_1Simd4FBool.xhtml', 1, 'gmx::Simd4FBool']\n     ]],\n     ['simd4float_402', ['simd4float', ['../classgmx_1_1Simd4Float.xhtml#a4d61d22b9955c0f6fa78804562704cbe', 1, 'gmx::Simd4Float::Simd4Float()'],\n         ['../classgmx_1_1Simd4Float.xhtml', 1, 'gmx::Simd4Float']\n     ]],\n     ['simd4n_20implementation_403', ['SIMD4N implementation', ['../page_simd.xhtml#autotoc_md65', 1, '']]],\n     ['simd4real_404', ['Simd4Real', ['../namespacegmx.xhtml#a37686b0c2ec48a361d6c4473c1fdb70c', 1, 'gmx']]],\n     ['simd4setzerod_405', ['simd4SetZeroD', ['../group__module__simd.xhtml#gac88aa19e4c856c2333bf814c3521c488', 1, 'gmx']]],\n@@ -618,16 +618,16 @@\n     ['simd_5fmath_2eh_407', ['simd_math.h', ['../simd__math_8h.xhtml', 1, '']]],\n     ['simd_5fmemory_2eh_408', ['simd_memory.h', ['../simd__memory_8h.xhtml', 1, '']]],\n     ['simd_5fsupport_2eh_409', ['simd_support.h', ['../simd__support_8h.xhtml', 1, '']]],\n     ['simd_5fwidth_410', ['simd_width', ['../namespacegmx.xhtml#ad2defc5df98b53733b2d299c76788b05', 1, 'gmx']]],\n     ['simdbitmask_411', ['SimdBitMask', ['../namespacegmx.xhtml#afb42c13ecb6e9bac5d3b89e89143257f', 1, 'gmx']]],\n     ['simdbool_412', ['SimdBool', ['../namespacegmx.xhtml#a307172d59a1a7c9ed87bc2cb4df83efa', 1, 'gmx']]],\n     ['simdcheck_413', ['simdCheck', ['../namespacegmx.xhtml#a3dfaae36144016a6b9ef7524dfbbb815', 1, 'gmx']]],\n-    ['simddbool_414', ['simddbool', ['../classgmx_1_1SimdDBool.xhtml', 1, 'gmx::SimdDBool'],\n-        ['../classgmx_1_1SimdDBool.xhtml#ad4d8f87a8e48ad39d6600c271dc37a02', 1, 'gmx::SimdDBool::SimdDBool()']\n+    ['simddbool_414', ['simddbool', ['../classgmx_1_1SimdDBool.xhtml#ad4d8f87a8e48ad39d6600c271dc37a02', 1, 'gmx::SimdDBool::SimdDBool()'],\n+        ['../classgmx_1_1SimdDBool.xhtml', 1, 'gmx::SimdDBool']\n     ]],\n     ['simddibool_415', ['simddibool', ['../classgmx_1_1SimdDIBool.xhtml', 1, 'gmx::SimdDIBool'],\n         ['../classgmx_1_1SimdDIBool.xhtml#a9b76cf7d82509f3f7adeac5d7f1b1477', 1, 'gmx::SimdDIBool::SimdDIBool()']\n     ]],\n     ['simddint32_416', ['simddint32', ['../classgmx_1_1SimdDInt32.xhtml', 1, 'gmx::SimdDInt32'],\n         ['../classgmx_1_1SimdDInt32.xhtml#a4107f8bf681a5cfe0abd34bffd5d952b', 1, 'gmx::SimdDInt32::SimdDInt32()']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -27,25 +27,25 @@\n     ['unitcelltype_19', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_20', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n     ['unitvector_21', ['unitvector', ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()'],\n         ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector(const VectorType &amp;v)']\n     ]],\n     ['unity_22', ['Unity', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099fa82dd98f1d663acc318e6a8ec4ab69b7a', 1, 'gmx']]],\n     ['unknown_23', ['unknown', ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::CpuInfo::Unknown'],\n-        ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508ca88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'Unknown:&#160;device_information.h'],\n-        ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown']\n+        ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown'],\n+        ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508ca88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'Unknown:&#160;device_information.h']\n     ]],\n     ['unpackrecvbufkernel_24', ['unpackRecvBufKernel', ['../namespacegmx.xhtml#a704128fa72f8ce7dcf08d0063a166036', 1, 'gmx']]],\n     ['unpaddedarrayref_25', ['unpaddedArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ad5b878ca7749f5b8f52e006269fbfc2f', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unpaddedconstarrayref_26', ['unpaddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a2c3f73497c6bc71264ae1af84b6522ae', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unset_27', ['Unset', ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cac9f88e098f6fe4e4e112eeb05ccb9671', 1, 'md_enums.h']]],\n     ['unsignedchartostring_28', ['unsignedCharToString', ['../group__module__utility.xhtml#ga78b462191d8dbe81225e12d64cdd55a3', 1, 'gmx']]],\n     ['update_29', ['update', ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()'],\n-        ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update'],\n-        ['../classgmx_1_1Update.xhtml#afcb4065ad13efba2d3aa9b5225125e6f', 1, 'gmx::Update::Update()']\n+        ['../classgmx_1_1Update.xhtml#afcb4065ad13efba2d3aa9b5225125e6f', 1, 'gmx::Update::Update()'],\n+        ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update']\n     ]],\n     ['update_5fconstrain_5fgpu_2eh_30', ['update_constrain_gpu.h', ['../update__constrain__gpu_8h.xhtml', 1, '']]],\n     ['update_5fcoords_31', ['update_coords', ['../classgmx_1_1Update.xhtml#a07bb5e84363cbcb95a10bc97647526e9', 1, 'gmx::Update']]],\n     ['update_5fdisres_5fhistory_32', ['update_disres_history', ['../disre_8h.xhtml#a80a6326aadca6d0b6f6f4753e63648e7', 1, 'disre.cpp']]],\n     ['update_5ffor_5fconstraint_5fvirial_33', ['update_for_constraint_virial', ['../classgmx_1_1Update.xhtml#acbd679269aa6945d6922c029770e8a84', 1, 'gmx::Update']]],\n     ['update_5fsd_5fsecond_5fhalf_34', ['update_sd_second_half', ['../classgmx_1_1Update.xhtml#ab0206e61c30553bd8aa268891c466509', 1, 'gmx::Update']]],\n     ['update_5ftemperature_5fconstants_35', ['update_temperature_constants', ['../classgmx_1_1Update.xhtml#afa5d8919006df7093a2224fbc2f9fd4c', 1, 'gmx::Update']]],\n@@ -65,16 +65,16 @@\n         ['../classgmx_1_1UpdateGroups.xhtml', 1, 'gmx::UpdateGroups']\n     ]],\n     ['updategroups_2eh_48', ['updategroups.h', ['../updategroups_8h.xhtml', 1, '']]],\n     ['updategroupscog_49', ['updategroupscog', ['../classgmx_1_1UpdateGroupsCog.xhtml#af4073554edea0cc98542003e47f7dccd', 1, 'gmx::UpdateGroupsCog::UpdateGroupsCog()'],\n         ['../classgmx_1_1UpdateGroupsCog.xhtml', 1, 'gmx::UpdateGroupsCog']\n     ]],\n     ['updategroupscog_2eh_50', ['updategroupscog.h', ['../updategroupscog_8h.xhtml', 1, '']]],\n-    ['updatehistory_51', ['updatehistory', ['../structt__oriresdata.xhtml#a7806904b5f7dcb25d5dec4555be7b5ac', 1, 't_oriresdata::updateHistory()'],\n-        ['../classgmx_1_1Awh.xhtml#ad138cec7cc1fefd7c1787d5f94279494', 1, 'gmx::Awh::updateHistory()']\n+    ['updatehistory_51', ['updatehistory', ['../classgmx_1_1Awh.xhtml#ad138cec7cc1fefd7c1787d5f94279494', 1, 'gmx::Awh::updateHistory()'],\n+        ['../structt__oriresdata.xhtml#a7806904b5f7dcb25d5dec4555be7b5ac', 1, 't_oriresdata::updateHistory()']\n     ]],\n     ['updatepositions_52', ['updatePositions', ['../namespacegmx.xhtml#a5d079b5d5fedb7c55a119e1342cb7fd8', 1, 'gmx']]],\n     ['updateprevsteppullcom_53', ['updatePrevStepPullCom', ['../pull_8h.xhtml#a95ef443e2830253d2aef461a2f811c4e', 1, 'pull.h']]],\n     ['updatevelocities_54', ['updateVelocities', ['../namespacegmx.xhtml#a2b97181f1d88633664f339242db99d74', 1, 'gmx']]],\n     ['updatewithdatapoint_55', ['updateWithDataPoint', ['../classgmx_1_1ExponentialMovingAverage.xhtml#a5293fc09bb63cc379eed9ca1fa20c760', 1, 'gmx::ExponentialMovingAverage']]],\n     ['uppercorner_56', ['upperCorner', ['../structgmx_1_1GridDimensions.xhtml#acd92331d1b9d316fe200653256a9c88c', 1, 'gmx::GridDimensions']]],\n     ['upstring_57', ['upstring', ['../cstringutil_8h.xhtml#a74173c7afe5600452edf4956ae58bbe8', 1, 'cstringutil.cpp']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -2,29 +2,29 @@\n     ['u_0', ['u', ['../structt__pargs.xhtml#a9896c617087886506822e9a67795e651', 1, 't_pargs']]],\n     ['uint8_1', ['uInt8', ['../namespacegmx.xhtml#a4355a7e0f393d42cbb5b2a47aefea966ab0cffa75aa037e628ccfdf46bcc086ac', 1, 'gmx']]],\n     ['uniformintdistribution_2', ['uniformintdistribution', ['../classgmx_1_1UniformIntDistribution.xhtml#a09808fada94acf89dc12c30310afaeda', 1, 'gmx::UniformIntDistribution::UniformIntDistribution(const param_type &amp;param)'],\n         ['../classgmx_1_1UniformIntDistribution.xhtml#a790697adc208c8ecf2e9164ea00cf24b', 1, 'gmx::UniformIntDistribution::UniformIntDistribution(result_type a=0, result_type b=std::numeric_limits&lt; result_type &gt;::max())'],\n         ['../classgmx_1_1UniformIntDistribution.xhtml', 1, 'gmx::UniformIntDistribution&lt; IntType &gt;']\n     ]],\n     ['uniformintdistribution_2eh_3', ['uniformintdistribution.h', ['../uniformintdistribution_8h.xhtml', 1, '']]],\n-    ['uniformrealdistribution_4', ['uniformrealdistribution', ['../classgmx_1_1UniformRealDistribution.xhtml#a8a58a25b5bc17882dfc3671530d1aad3', 1, 'gmx::UniformRealDistribution::UniformRealDistribution()'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml#abf980964b1ce2f1fade69a0578b25e33', 1, 'gmx::UniformRealDistribution::UniformRealDistribution()']\n+    ['uniformrealdistribution_4', ['uniformrealdistribution', ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#a8a58a25b5bc17882dfc3671530d1aad3', 1, 'gmx::UniformRealDistribution::UniformRealDistribution(const param_type &amp;param)'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#abf980964b1ce2f1fade69a0578b25e33', 1, 'gmx::UniformRealDistribution::UniformRealDistribution(result_type a=0.0, result_type b=1.0)']\n     ]],\n     ['uniformrealdistribution_2eh_5', ['uniformrealdistribution.h', ['../uniformrealdistribution_8h.xhtml', 1, '']]],\n     ['uniformrealdistribution_3c_20real_20_3e_6', ['UniformRealDistribution&lt; real &gt;', ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx']]],\n     ['unique_5fcptr_7', ['unique_cptr', ['../namespacegmx.xhtml#a89d1da25b1e1f9331f1fe99b15072eac', 1, 'gmx']]],\n     ['unique_5fcptr_2eh_8', ['unique_cptr.h', ['../unique__cptr_8h.xhtml', 1, '']]],\n     ['unitcelliscompact_9', ['UnitCellIsCompact', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9ad4d785ddf0c77e7b697efd2b5ec376e1', 1, 'gmx']]],\n     ['unitcellisrectangular_10', ['UnitCellIsRectangular', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9a8e7bda81ce54b8cf90c3b856c83e7d9f', 1, 'gmx']]],\n     ['unitcellistriclinic_11', ['UnitCellIsTriclinic', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9a99285c8187fb87e756f127435045dc3f', 1, 'gmx']]],\n     ['unitcelltype_12', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_13', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n-    ['unitvector_14', ['unitvector', ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()'],\n-        ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector(const VectorType &amp;v)']\n+    ['unitvector_14', ['unitvector', ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector()'],\n+        ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()']\n     ]],\n     ['unity_15', ['Unity', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099fa82dd98f1d663acc318e6a8ec4ab69b7a', 1, 'gmx']]],\n     ['unknown_16', ['Unknown', ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx']]],\n     ['unpackrecvbufkernel_17', ['unpackRecvBufKernel', ['../namespacegmx.xhtml#a704128fa72f8ce7dcf08d0063a166036', 1, 'gmx']]],\n     ['unpaddedarrayref_18', ['unpaddedArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ad5b878ca7749f5b8f52e006269fbfc2f', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unpaddedconstarrayref_19', ['unpaddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a2c3f73497c6bc71264ae1af84b6522ae', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unset_20', ['Unset', ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cac9f88e098f6fe4e4e112eeb05ccb9671', 1, 'md_enums.h']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "comments": ["Ordering differences only"], "unified_diff": "@@ -76343,53 +76343,53 @@\n   </compound>\n   <compound refid=\"datastorage_8h\" kind=\"file\">\n     <name>datastorage.h</name>\n   </compound>\n   <compound refid=\"framelocaldata_8h\" kind=\"file\">\n     <name>framelocaldata.h</name>\n   </compound>\n+  <compound refid=\"modules_2average_8cpp\" kind=\"file\">\n+    <name>average.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2average_8cpp\" kind=\"file\">\n+    <name>average.cpp</name>\n+  </compound>\n   <compound refid=\"displacement_8cpp\" kind=\"file\">\n     <name>displacement.cpp</name>\n   </compound>\n   <compound refid=\"frameaverager_8cpp\" kind=\"file\">\n     <name>frameaverager.cpp</name>\n   </compound>\n   <compound refid=\"frameaverager_8h\" kind=\"file\">\n     <name>frameaverager.h</name>\n   </compound>\n-  <compound refid=\"plot_8cpp\" kind=\"file\">\n-    <name>plot.cpp</name>\n-  </compound>\n-  <compound refid=\"paralleloptions_8h\" kind=\"file\">\n-    <name>paralleloptions.h</name>\n-  </compound>\n-  <compound refid=\"modules_2average_8cpp\" kind=\"file\">\n-    <name>average.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2average_8cpp\" kind=\"file\">\n-    <name>average.cpp</name>\n-  </compound>\n-  <compound refid=\"datatest_8cpp\" kind=\"file\">\n-    <name>datatest.cpp</name>\n-  </compound>\n-  <compound refid=\"datatest_8h\" kind=\"file\">\n-    <name>datatest.h</name>\n-  </compound>\n   <compound refid=\"modules_2histogram_8cpp\" kind=\"file\">\n     <name>histogram.cpp</name>\n   </compound>\n   <compound refid=\"tests_2histogram_8cpp\" kind=\"file\">\n     <name>histogram.cpp</name>\n   </compound>\n   <compound refid=\"modules_2lifetime_8cpp\" kind=\"file\">\n     <name>lifetime.cpp</name>\n   </compound>\n   <compound refid=\"tests_2lifetime_8cpp\" kind=\"file\">\n     <name>lifetime.cpp</name>\n   </compound>\n+  <compound refid=\"plot_8cpp\" kind=\"file\">\n+    <name>plot.cpp</name>\n+  </compound>\n+  <compound refid=\"paralleloptions_8h\" kind=\"file\">\n+    <name>paralleloptions.h</name>\n+  </compound>\n+  <compound refid=\"datatest_8cpp\" kind=\"file\">\n+    <name>datatest.cpp</name>\n+  </compound>\n+  <compound refid=\"datatest_8h\" kind=\"file\">\n+    <name>datatest.h</name>\n+  </compound>\n   <compound refid=\"mock__datamodule_8cpp\" kind=\"file\">\n     <name>mock_datamodule.cpp</name>\n   </compound>\n   <compound refid=\"mock__datamodule_8h\" kind=\"file\">\n     <name>mock_datamodule.h</name>\n   </compound>\n   <compound refid=\"awh_8cpp\" kind=\"file\">\n@@ -76418,17 +76418,29 @@\n   </compound>\n   <compound refid=\"biasparams_8cpp\" kind=\"file\">\n     <name>biasparams.cpp</name>\n   </compound>\n   <compound refid=\"biasparams_8h\" kind=\"file\">\n     <name>biasparams.h</name>\n   </compound>\n+  <compound refid=\"biassharing_8cpp\" kind=\"file\">\n+    <name>biassharing.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2biassharing_8cpp\" kind=\"file\">\n+    <name>biassharing.cpp</name>\n+  </compound>\n   <compound refid=\"biassharing_8h\" kind=\"file\">\n     <name>biassharing.h</name>\n   </compound>\n+  <compound refid=\"biasstate_8cpp\" kind=\"file\">\n+    <name>biasstate.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2biasstate_8cpp\" kind=\"file\">\n+    <name>biasstate.cpp</name>\n+  </compound>\n   <compound refid=\"biasstate_8h\" kind=\"file\">\n     <name>biasstate.h</name>\n   </compound>\n   <compound refid=\"biaswriter_8cpp\" kind=\"file\">\n     <name>biaswriter.cpp</name>\n   </compound>\n   <compound refid=\"biaswriter_8h\" kind=\"file\">\n@@ -76484,26 +76496,14 @@\n   </compound>\n   <compound refid=\"awh__setup_8h\" kind=\"file\">\n     <name>awh_setup.h</name>\n   </compound>\n   <compound refid=\"bias__fep__lambda__state_8cpp\" kind=\"file\">\n     <name>bias_fep_lambda_state.cpp</name>\n   </compound>\n-  <compound refid=\"biassharing_8cpp\" kind=\"file\">\n-    <name>biassharing.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2biassharing_8cpp\" kind=\"file\">\n-    <name>biassharing.cpp</name>\n-  </compound>\n-  <compound refid=\"biasstate_8cpp\" kind=\"file\">\n-    <name>biasstate.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2biasstate_8cpp\" kind=\"file\">\n-    <name>biasstate.cpp</name>\n-  </compound>\n   <compound refid=\"friction__metric_8cpp\" kind=\"file\">\n     <name>friction_metric.cpp</name>\n   </compound>\n   <compound refid=\"colvarproxy__gromacs__version_8h\" kind=\"file\">\n     <name>colvarproxy_gromacs_version.h</name>\n     <member refid=\"colvarproxy__gromacs__version_8h_1a5d48337da8454f2350b6a44fbc6db20c\" kind=\"define\">\n       <name>COLVARPROXY_VERSION</name>\n@@ -76511,32 +76511,32 @@\n   </compound>\n   <compound refid=\"colvarproxygromacs_8cpp\" kind=\"file\">\n     <name>colvarproxygromacs.cpp</name>\n   </compound>\n   <compound refid=\"colvarproxygromacs_8h\" kind=\"file\">\n     <name>colvarproxygromacs.h</name>\n   </compound>\n-  <compound refid=\"colvarsforceprovider_8cpp\" kind=\"file\">\n-    <name>colvarsforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2colvarsforceprovider_8cpp\" kind=\"file\">\n-    <name>colvarsforceprovider.cpp</name>\n-  </compound>\n   <compound refid=\"colvarsforceprovider_8h\" kind=\"file\">\n     <name>colvarsforceprovider.h</name>\n   </compound>\n   <compound refid=\"colvarsMDModule_8cpp\" kind=\"file\">\n     <name>colvarsMDModule.cpp</name>\n   </compound>\n   <compound refid=\"colvarsMDModule_8h\" kind=\"file\">\n     <name>colvarsMDModule.h</name>\n   </compound>\n   <compound refid=\"colvarsMDModule__stub_8cpp\" kind=\"file\">\n     <name>colvarsMDModule_stub.cpp</name>\n   </compound>\n+  <compound refid=\"colvarsoptions_8cpp\" kind=\"file\">\n+    <name>colvarsoptions.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2colvarsoptions_8cpp\" kind=\"file\">\n+    <name>colvarsoptions.cpp</name>\n+  </compound>\n   <compound refid=\"colvarsoptions_8h\" kind=\"file\">\n     <name>colvarsoptions.h</name>\n   </compound>\n   <compound refid=\"colvarspreprocessor_8cpp\" kind=\"file\">\n     <name>colvarspreprocessor.cpp</name>\n   </compound>\n   <compound refid=\"tests_2colvarspreprocessor_8cpp\" kind=\"file\">\n@@ -76550,19 +76550,19 @@\n   </compound>\n   <compound refid=\"colvarssimulationsparameters_8h\" kind=\"file\">\n     <name>colvarssimulationsparameters.h</name>\n   </compound>\n   <compound refid=\"colvars_8cpp\" kind=\"file\">\n     <name>colvars.cpp</name>\n   </compound>\n-  <compound refid=\"colvarsoptions_8cpp\" kind=\"file\">\n-    <name>colvarsoptions.cpp</name>\n+  <compound refid=\"colvarsforceprovider_8cpp\" kind=\"file\">\n+    <name>colvarsforceprovider.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2colvarsoptions_8cpp\" kind=\"file\">\n-    <name>colvarsoptions.cpp</name>\n+  <compound refid=\"tests_2colvarsforceprovider_8cpp\" kind=\"file\">\n+    <name>colvarsforceprovider.cpp</name>\n   </compound>\n   <compound refid=\"densityfitting_8cpp\" kind=\"file\">\n     <name>densityfitting.cpp</name>\n   </compound>\n   <compound refid=\"tests_2densityfitting_8cpp\" kind=\"file\">\n     <name>densityfitting.cpp</name>\n   </compound>\n@@ -76574,17 +76574,29 @@\n   </compound>\n   <compound refid=\"tests_2densityfittingamplitudelookup_8cpp\" kind=\"file\">\n     <name>densityfittingamplitudelookup.cpp</name>\n   </compound>\n   <compound refid=\"densityfittingamplitudelookup_8h\" kind=\"file\">\n     <name>densityfittingamplitudelookup.h</name>\n   </compound>\n+  <compound refid=\"densityfittingforceprovider_8cpp\" kind=\"file\">\n+    <name>densityfittingforceprovider.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2densityfittingforceprovider_8cpp\" kind=\"file\">\n+    <name>densityfittingforceprovider.cpp</name>\n+  </compound>\n   <compound refid=\"densityfittingforceprovider_8h\" kind=\"file\">\n     <name>densityfittingforceprovider.h</name>\n   </compound>\n+  <compound refid=\"densityfittingoptions_8cpp\" kind=\"file\">\n+    <name>densityfittingoptions.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2densityfittingoptions_8cpp\" kind=\"file\">\n+    <name>densityfittingoptions.cpp</name>\n+  </compound>\n   <compound refid=\"densityfittingoptions_8h\" kind=\"file\">\n     <name>densityfittingoptions.h</name>\n   </compound>\n   <compound refid=\"densityfittingoutputprovider_8cpp\" kind=\"file\">\n     <name>densityfittingoutputprovider.cpp</name>\n   </compound>\n   <compound refid=\"densityfittingoutputprovider_8h\" kind=\"file\">\n@@ -76592,26 +76604,14 @@\n   </compound>\n   <compound refid=\"densityfittingparameters_8cpp\" kind=\"file\">\n     <name>densityfittingparameters.cpp</name>\n   </compound>\n   <compound refid=\"densityfittingparameters_8h\" kind=\"file\">\n     <name>densityfittingparameters.h</name>\n   </compound>\n-  <compound refid=\"densityfittingforceprovider_8cpp\" kind=\"file\">\n-    <name>densityfittingforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2densityfittingforceprovider_8cpp\" kind=\"file\">\n-    <name>densityfittingforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"densityfittingoptions_8cpp\" kind=\"file\">\n-    <name>densityfittingoptions.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2densityfittingoptions_8cpp\" kind=\"file\">\n-    <name>densityfittingoptions.cpp</name>\n-  </compound>\n   <compound refid=\"electricfield_8cpp\" kind=\"file\">\n     <name>electricfield.cpp</name>\n   </compound>\n   <compound refid=\"tests_2electricfield_8cpp\" kind=\"file\">\n     <name>electricfield.cpp</name>\n   </compound>\n   <compound refid=\"electricfield_8h\" kind=\"file\">\n@@ -76622,47 +76622,47 @@\n   </compound>\n   <compound refid=\"tests_2nnpot_8cpp\" kind=\"file\">\n     <name>nnpot.cpp</name>\n   </compound>\n   <compound refid=\"nnpot_8h\" kind=\"file\">\n     <name>nnpot.h</name>\n   </compound>\n+  <compound refid=\"nnpotforceprovider_8cpp\" kind=\"file\">\n+    <name>nnpotforceprovider.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2nnpotforceprovider_8cpp\" kind=\"file\">\n+    <name>nnpotforceprovider.cpp</name>\n+  </compound>\n   <compound refid=\"nnpotforceprovider_8h\" kind=\"file\">\n     <name>nnpotforceprovider.h</name>\n   </compound>\n   <compound refid=\"nnpotforceprovider__stub_8cpp\" kind=\"file\">\n     <name>nnpotforceprovider_stub.cpp</name>\n   </compound>\n   <compound refid=\"nnpotmodel_8h\" kind=\"file\">\n     <name>nnpotmodel.h</name>\n   </compound>\n+  <compound refid=\"nnpotoptions_8cpp\" kind=\"file\">\n+    <name>nnpotoptions.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2nnpotoptions_8cpp\" kind=\"file\">\n+    <name>nnpotoptions.cpp</name>\n+  </compound>\n   <compound refid=\"nnpotoptions_8h\" kind=\"file\">\n     <name>nnpotoptions.h</name>\n   </compound>\n   <compound refid=\"nnpottopologypreprocessor_8cpp\" kind=\"file\">\n     <name>nnpottopologypreprocessor.cpp</name>\n   </compound>\n   <compound refid=\"tests_2nnpottopologypreprocessor_8cpp\" kind=\"file\">\n     <name>nnpottopologypreprocessor.cpp</name>\n   </compound>\n   <compound refid=\"nnpottopologypreprocessor_8h\" kind=\"file\">\n     <name>nnpottopologypreprocessor.h</name>\n   </compound>\n-  <compound refid=\"nnpotforceprovider_8cpp\" kind=\"file\">\n-    <name>nnpotforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nnpotforceprovider_8cpp\" kind=\"file\">\n-    <name>nnpotforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"nnpotoptions_8cpp\" kind=\"file\">\n-    <name>nnpotoptions.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nnpotoptions_8cpp\" kind=\"file\">\n-    <name>nnpotoptions.cpp</name>\n-  </compound>\n   <compound refid=\"torchmodel_8cpp\" kind=\"file\">\n     <name>torchmodel.cpp</name>\n   </compound>\n   <compound refid=\"torchmodel_8h\" kind=\"file\">\n     <name>torchmodel.h</name>\n   </compound>\n   <compound refid=\"plumedforceprovider_8cpp\" kind=\"file\">\n@@ -76763,14 +76763,20 @@\n   </compound>\n   <compound refid=\"qmmmforceprovider_8h\" kind=\"file\">\n     <name>qmmmforceprovider.h</name>\n   </compound>\n   <compound refid=\"qmmmforceprovider__stub_8cpp\" kind=\"file\">\n     <name>qmmmforceprovider_stub.cpp</name>\n   </compound>\n+  <compound refid=\"qmmminputgenerator_8cpp\" kind=\"file\">\n+    <name>qmmminputgenerator.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2qmmminputgenerator_8cpp\" kind=\"file\">\n+    <name>qmmminputgenerator.cpp</name>\n+  </compound>\n   <compound refid=\"qmmminputgenerator_8h\" kind=\"file\">\n     <name>qmmminputgenerator.h</name>\n   </compound>\n   <compound refid=\"qmmmoptions_8cpp\" kind=\"file\">\n     <name>qmmmoptions.cpp</name>\n   </compound>\n   <compound refid=\"tests_2qmmmoptions_8cpp\" kind=\"file\">\n@@ -76787,26 +76793,26 @@\n   </compound>\n   <compound refid=\"qmmmtopologypreprocessor_8h\" kind=\"file\">\n     <name>qmmmtopologypreprocessor.h</name>\n   </compound>\n   <compound refid=\"qmmmtypes_8h\" kind=\"file\">\n     <name>qmmmtypes.h</name>\n   </compound>\n-  <compound refid=\"qmmminputgenerator_8cpp\" kind=\"file\">\n-    <name>qmmminputgenerator.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2qmmminputgenerator_8cpp\" kind=\"file\">\n-    <name>qmmminputgenerator.cpp</name>\n-  </compound>\n   <compound refid=\"cmdlinehelpcontext_8cpp\" kind=\"file\">\n     <name>cmdlinehelpcontext.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinehelpcontext_8h\" kind=\"file\">\n     <name>cmdlinehelpcontext.h</name>\n   </compound>\n+  <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n+    <name>cmdlinehelpmodule.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n+    <name>cmdlinehelpmodule.cpp</name>\n+  </compound>\n   <compound refid=\"cmdlinehelpmodule_8h\" kind=\"file\">\n     <name>cmdlinehelpmodule.h</name>\n   </compound>\n   <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n     <name>cmdlinehelpwriter.cpp</name>\n   </compound>\n   <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n@@ -76829,35 +76835,47 @@\n   </compound>\n   <compound refid=\"cmdlinemodule_8cpp\" kind=\"file\">\n     <name>cmdlinemodule.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinemodule_8h\" kind=\"file\">\n     <name>cmdlinemodule.h</name>\n   </compound>\n+  <compound refid=\"cmdlinemodulemanager_8cpp\" kind=\"file\">\n+    <name>cmdlinemodulemanager.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlinemodulemanager_8cpp\" kind=\"file\">\n+    <name>cmdlinemodulemanager.cpp</name>\n+  </compound>\n   <compound refid=\"cmdlinemodulemanager_8h\" kind=\"file\">\n     <name>cmdlinemodulemanager.h</name>\n   </compound>\n   <compound refid=\"cmdlinemodulemanager__impl_8h\" kind=\"file\">\n     <name>cmdlinemodulemanager_impl.h</name>\n   </compound>\n   <compound refid=\"cmdlineoptionsmodule_8cpp\" kind=\"file\">\n     <name>cmdlineoptionsmodule.cpp</name>\n   </compound>\n   <compound refid=\"cmdlineoptionsmodule_8h\" kind=\"file\">\n     <name>cmdlineoptionsmodule.h</name>\n   </compound>\n-  <compound refid=\"cmdlineparser_8cpp\" kind=\"file\">\n-    <name>cmdlineparser.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n-    <name>cmdlineparser.cpp</name>\n-  </compound>\n   <compound refid=\"cmdlineparser_8h\" kind=\"file\">\n     <name>cmdlineparser.h</name>\n   </compound>\n+  <compound refid=\"cmdlineprogramcontext_8cpp\" kind=\"file\">\n+    <name>cmdlineprogramcontext.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlineprogramcontext_8cpp\" kind=\"file\">\n+    <name>cmdlineprogramcontext.cpp</name>\n+    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a8822a2ee752cd448a524f2304b1e68cb\" kind=\"define\">\n+      <name>EXECUTABLE_EXTENSION</name>\n+    </member>\n+    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a7ed45b697bd048da9276e1b0cec80f06\" kind=\"define\">\n+      <name>TEST_SYMLINKS</name>\n+    </member>\n+  </compound>\n   <compound refid=\"cmdlineprogramcontext_8h\" kind=\"file\">\n     <name>cmdlineprogramcontext.h</name>\n   </compound>\n   <compound refid=\"filenm_8cpp\" kind=\"file\">\n     <name>filenm.cpp</name>\n     <member refid=\"filenm_8cpp_1a74630e5294aa0d8475eed5bbb2e792e2\" kind=\"function\">\n       <name>IS_SET</name>\n@@ -77117,43 +77135,25 @@\n   </compound>\n   <compound refid=\"shellcompletions_8cpp\" kind=\"file\">\n     <name>shellcompletions.cpp</name>\n   </compound>\n   <compound refid=\"shellcompletions_8h\" kind=\"file\">\n     <name>shellcompletions.h</name>\n   </compound>\n-  <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n-    <name>cmdlinehelpmodule.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n-    <name>cmdlinehelpmodule.cpp</name>\n-  </compound>\n-  <compound refid=\"cmdlinemodulemanager_8cpp\" kind=\"file\">\n-    <name>cmdlinemodulemanager.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlinemodulemanager_8cpp\" kind=\"file\">\n-    <name>cmdlinemodulemanager.cpp</name>\n-  </compound>\n   <compound refid=\"cmdlinemodulemanagertest_8cpp\" kind=\"file\">\n     <name>cmdlinemodulemanagertest.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinemodulemanagertest_8h\" kind=\"file\">\n     <name>cmdlinemodulemanagertest.h</name>\n   </compound>\n-  <compound refid=\"cmdlineprogramcontext_8cpp\" kind=\"file\">\n-    <name>cmdlineprogramcontext.cpp</name>\n+  <compound refid=\"cmdlineparser_8cpp\" kind=\"file\">\n+    <name>cmdlineparser.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2cmdlineprogramcontext_8cpp\" kind=\"file\">\n-    <name>cmdlineprogramcontext.cpp</name>\n-    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a8822a2ee752cd448a524f2304b1e68cb\" kind=\"define\">\n-      <name>EXECUTABLE_EXTENSION</name>\n-    </member>\n-    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a7ed45b697bd048da9276e1b0cec80f06\" kind=\"define\">\n-      <name>TEST_SYMLINKS</name>\n-    </member>\n+  <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n+    <name>cmdlineparser.cpp</name>\n   </compound>\n   <compound refid=\"viewit_8cpp\" kind=\"file\">\n     <name>viewit.cpp</name>\n     <member refid=\"viewit_8cpp_1a35dcced3082f4267c59916e2ca17eb9e\" kind=\"variable\">\n       <name>canViewFileType</name>\n     </member>\n     <member refid=\"viewit_8cpp_1a82e08ef780c3b24b30693b5285f3a0b5\" kind=\"variable\">\n@@ -77288,38 +77288,38 @@\n   </compound>\n   <compound refid=\"setvelocities_8cpp\" kind=\"file\">\n     <name>setvelocities.cpp</name>\n   </compound>\n   <compound refid=\"setvelocities_8h\" kind=\"file\">\n     <name>setvelocities.h</name>\n   </compound>\n-  <compound refid=\"builder_8cpp\" kind=\"file\">\n-    <name>builder.cpp</name>\n-  </compound>\n-  <compound refid=\"coordinate__test_8h\" kind=\"file\">\n-    <name>coordinate_test.h</name>\n-  </compound>\n-  <compound refid=\"frameconverter_8h\" kind=\"file\">\n-    <name>frameconverter.h</name>\n-  </compound>\n-  <compound refid=\"outputadapters_8cpp\" kind=\"file\">\n-    <name>outputadapters.cpp</name>\n-  </compound>\n   <compound refid=\"requirements_8cpp\" kind=\"file\">\n     <name>requirements.cpp</name>\n   </compound>\n   <compound refid=\"tests_2requirements_8cpp\" kind=\"file\">\n     <name>requirements.cpp</name>\n   </compound>\n   <compound refid=\"requirements_8h\" kind=\"file\">\n     <name>requirements.h</name>\n   </compound>\n   <compound refid=\"tests_2requirements_8h\" kind=\"file\">\n     <name>requirements.h</name>\n   </compound>\n+  <compound refid=\"builder_8cpp\" kind=\"file\">\n+    <name>builder.cpp</name>\n+  </compound>\n+  <compound refid=\"coordinate__test_8h\" kind=\"file\">\n+    <name>coordinate_test.h</name>\n+  </compound>\n+  <compound refid=\"frameconverter_8h\" kind=\"file\">\n+    <name>frameconverter.h</name>\n+  </compound>\n+  <compound refid=\"outputadapters_8cpp\" kind=\"file\">\n+    <name>outputadapters.cpp</name>\n+  </compound>\n   <compound refid=\"setbothtime_8cpp\" kind=\"file\">\n     <name>setbothtime.cpp</name>\n   </compound>\n   <compound refid=\"testmodule_8cpp\" kind=\"file\">\n     <name>testmodule.cpp</name>\n   </compound>\n   <compound refid=\"testmodule_8h\" kind=\"file\">\n@@ -79097,50 +79097,14 @@\n     <member refid=\"utility_8cpp_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n       <name>check_screw_box</name>\n     </member>\n     <member refid=\"utility_8cpp_1a0863c8645b840ad39fd0f12a974e8b74\" kind=\"function\">\n       <name>dd_resize_atominfo_and_state</name>\n     </member>\n   </compound>\n-  <compound refid=\"domdec_2utility_8h\" kind=\"file\">\n-    <name>utility.h</name>\n-    <member refid=\"domdec_2utility_8h_1ad8be86df1243f4c4cf275e130ca8c6df\" kind=\"function\">\n-      <name>isDlbOn</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1ad57e700f3ebb0a127187ca3d1b0e8211\" kind=\"function\">\n-      <name>isDlbDisabled</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n-      <name>dim2char</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n-      <name>make_tric_corr_matrix</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n-      <name>check_screw_box</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a155480532c8a0a96130c1751c53cc868\" kind=\"function\">\n-      <name>ddGetAtomInfo</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1add55e8ee06aa3b942947af95265badec\" kind=\"function\">\n-      <name>dd_load_count</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1affcd5680a909d4f7e36a42b0c53c0a3b\" kind=\"function\">\n-      <name>dd_resize_atominfo_and_state</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a348cc51cf67fa4a05a780abdf4643c69\" kind=\"function\">\n-      <name>atomToAtomIntoDomainToDomainCutoff</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a5d94f58e6d190b2f9e30012f41cb65c2\" kind=\"function\">\n-      <name>domainToDomainIntoAtomToDomainCutoff</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"utility_8h\" kind=\"file\">\n-    <name>utility.h</name>\n-  </compound>\n   <compound refid=\"api_2legacy_2include_2gromacs_2trajectoryanalysis_2analysismodule_8h\" kind=\"file\">\n     <name>analysismodule.h</name>\n   </compound>\n   <compound refid=\"src_2gromacs_2energyanalysis_2analysismodule_8h\" kind=\"file\">\n     <name>analysismodule.h</name>\n   </compound>\n   <compound refid=\"energyanalysisframe_8h\" kind=\"file\">\n@@ -79409,14 +79373,101 @@\n   </compound>\n   <compound refid=\"long__range__correction_8h\" kind=\"file\">\n     <name>long_range_correction.h</name>\n     <member refid=\"long__range__correction_8h_1ac557b763e9b0bbcf0ec9663891a46409\" kind=\"function\">\n       <name>ewald_LRcorrection</name>\n     </member>\n   </compound>\n+  <compound refid=\"pme_8cpp\" kind=\"file\">\n+    <name>pme.cpp</name>\n+    <member refid=\"pme_8cpp_1a36c5a3e4872fe57779ce11f166c22bad\" kind=\"variable\">\n+      <name>gmxCacheLineSize</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a8c1a3fa279f72a26deffce255bb374d9\" kind=\"function\">\n+      <name>pme_gpu_supports_build</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1aece8df7226a093dc75cf627631c52304\" kind=\"function\">\n+      <name>pme_gpu_supports_input</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a00b99237202396dd10f249a354b85b71\" kind=\"function\">\n+      <name>pme_gpu_mixed_mode_supports_input</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a30f29ab01f4617cea28a55ee8552ee6a\" kind=\"function\">\n+      <name>pme_gpu_check_restrictions</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kind=\"function\">\n+      <name>pme_run_mode</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ace2ad200713ffbae9c71d92d92a83d6f\" kind=\"function\">\n+      <name>pme_get_pinning_policy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1afe8d2b3d7dee7840d653fc9aa1d217fc\" kind=\"function\">\n+      <name>setup_coordinate_communication</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a866e345e15a8e70ecdd4b828bffa4c00\" kind=\"function\">\n+      <name>mult_up</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a712c4245133ef3c597852d8e47967480\" kind=\"function\">\n+      <name>estimate_pme_load_imbalance</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1adc7254f927a9870f36b27a851dbf43cc\" kind=\"function\">\n+      <name>init_overlap_comm</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a3167e04d492823ba4279c5e11417cb8f\" kind=\"function\">\n+      <name>minimalPmeGridSize</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a051edf566a3e2473103a7e87b4a62e0c\" kind=\"function\">\n+      <name>numGridLinesForExtendedHaloRegion</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ace5b9e0ec59d3dd3e3a21c891bb459b4\" kind=\"function\">\n+      <name>getGridSpacingFromBox</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a5c4fecfcddcabc83d73c85042c935f96\" kind=\"function\">\n+      <name>gmx_pme_check_restrictions</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ab94c6aa2b36487724ef0597bb9d4c11e\" kind=\"function\">\n+      <name>initGrids</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kind=\"function\">\n+      <name>gmx_pme_init</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ab1d5c3f2e6e75de3f38107c0acd92c6d\" kind=\"function\">\n+      <name>gmx_pme_reinit</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1af28e0ce531d0251546501a7f192f25f2\" kind=\"function\">\n+      <name>gmx_pme_calc_energy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a3ec34dcc681a27524bf9c41d374d9179\" kind=\"function\">\n+      <name>calc_initial_lb_coeffs</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1aef944d976bf526375deee4144b1436c0\" kind=\"function\">\n+      <name>calc_next_lb_coeffs</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ae9d5a3c227bbe220bd732be51ec92d9b\" kind=\"function\">\n+      <name>gmx_pme_do</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a139505c640fd5946cdcde79d232a8411\" kind=\"function\">\n+      <name>parallel_3dfft_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ac5a75a2d477885fcb0260908f6e7b2f2\" kind=\"function\">\n+      <name>gmx_pme_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1afb9db2681fc072d6b4176febca9831c6\" kind=\"function\">\n+      <name>gmx_pme_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a1502bc293ce8fb854adf4648a1d2d4c7\" kind=\"function\">\n+      <name>gmx_pme_reinit_atoms</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a90e8466d51fc7f91409cce40287f1d14\" kind=\"function\">\n+      <name>gmx_pme_grid_matches</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2pme_8cpp\" kind=\"file\">\n+    <name>pme.cpp</name>\n+  </compound>\n   <compound refid=\"pme_8h\" kind=\"file\">\n     <name>pme.h</name>\n     <member refid=\"pme_8h_1a0411cd49bb5b71852cecd93bcbf0ca2d\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"pme_8h_1a0411cd49bb5b71852cecd93bcbf0ca2da6fde025357df3abb2792aaf0486b3c2c\" kind=\"enumvalue\">\n       <name>GMX_SUM_GRID_FORWARD</name>\n@@ -80996,101 +81047,14 @@\n     <member refid=\"pme__spread__sycl_8cpp_1a0ea1c4d722243575b37fc4927244b1d2\" kind=\"function\">\n       <name>pmeSplineAndSpreadKernel</name>\n     </member>\n   </compound>\n   <compound refid=\"pme__spread__sycl_8h\" kind=\"file\">\n     <name>pme_spread_sycl.h</name>\n   </compound>\n-  <compound refid=\"pme_8cpp\" kind=\"file\">\n-    <name>pme.cpp</name>\n-    <member refid=\"pme_8cpp_1a36c5a3e4872fe57779ce11f166c22bad\" kind=\"variable\">\n-      <name>gmxCacheLineSize</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a8c1a3fa279f72a26deffce255bb374d9\" kind=\"function\">\n-      <name>pme_gpu_supports_build</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1aece8df7226a093dc75cf627631c52304\" kind=\"function\">\n-      <name>pme_gpu_supports_input</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a00b99237202396dd10f249a354b85b71\" kind=\"function\">\n-      <name>pme_gpu_mixed_mode_supports_input</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a30f29ab01f4617cea28a55ee8552ee6a\" kind=\"function\">\n-      <name>pme_gpu_check_restrictions</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kind=\"function\">\n-      <name>pme_run_mode</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ace2ad200713ffbae9c71d92d92a83d6f\" kind=\"function\">\n-      <name>pme_get_pinning_policy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1afe8d2b3d7dee7840d653fc9aa1d217fc\" kind=\"function\">\n-      <name>setup_coordinate_communication</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a866e345e15a8e70ecdd4b828bffa4c00\" kind=\"function\">\n-      <name>mult_up</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a712c4245133ef3c597852d8e47967480\" kind=\"function\">\n-      <name>estimate_pme_load_imbalance</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1adc7254f927a9870f36b27a851dbf43cc\" kind=\"function\">\n-      <name>init_overlap_comm</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a3167e04d492823ba4279c5e11417cb8f\" kind=\"function\">\n-      <name>minimalPmeGridSize</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a051edf566a3e2473103a7e87b4a62e0c\" kind=\"function\">\n-      <name>numGridLinesForExtendedHaloRegion</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ace5b9e0ec59d3dd3e3a21c891bb459b4\" kind=\"function\">\n-      <name>getGridSpacingFromBox</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a5c4fecfcddcabc83d73c85042c935f96\" kind=\"function\">\n-      <name>gmx_pme_check_restrictions</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ab94c6aa2b36487724ef0597bb9d4c11e\" kind=\"function\">\n-      <name>initGrids</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kind=\"function\">\n-      <name>gmx_pme_init</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ab1d5c3f2e6e75de3f38107c0acd92c6d\" kind=\"function\">\n-      <name>gmx_pme_reinit</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1af28e0ce531d0251546501a7f192f25f2\" kind=\"function\">\n-      <name>gmx_pme_calc_energy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a3ec34dcc681a27524bf9c41d374d9179\" kind=\"function\">\n-      <name>calc_initial_lb_coeffs</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1aef944d976bf526375deee4144b1436c0\" kind=\"function\">\n-      <name>calc_next_lb_coeffs</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ae9d5a3c227bbe220bd732be51ec92d9b\" kind=\"function\">\n-      <name>gmx_pme_do</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a139505c640fd5946cdcde79d232a8411\" kind=\"function\">\n-      <name>parallel_3dfft_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ac5a75a2d477885fcb0260908f6e7b2f2\" kind=\"function\">\n-      <name>gmx_pme_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1afb9db2681fc072d6b4176febca9831c6\" kind=\"function\">\n-      <name>gmx_pme_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a1502bc293ce8fb854adf4648a1d2d4c7\" kind=\"function\">\n-      <name>gmx_pme_reinit_atoms</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a90e8466d51fc7f91409cce40287f1d14\" kind=\"function\">\n-      <name>gmx_pme_grid_matches</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2pme_8cpp\" kind=\"file\">\n-    <name>pme.cpp</name>\n-  </compound>\n   <compound refid=\"pmebsplinetest_8cpp\" kind=\"file\">\n     <name>pmebsplinetest.cpp</name>\n   </compound>\n   <compound refid=\"pmegathertest_8cpp\" kind=\"file\">\n     <name>pmegathertest.cpp</name>\n   </compound>\n   <compound refid=\"pmesolvetest_8cpp\" kind=\"file\">\n@@ -81125,14 +81089,41 @@\n   </compound>\n   <compound refid=\"calcgrid_8h\" kind=\"file\">\n     <name>calcgrid.h</name>\n     <member refid=\"calcgrid_8h_1a93c2f59abd0fbe468c5e51d8c3c9b9a8\" kind=\"function\">\n       <name>calcFftGrid</name>\n     </member>\n   </compound>\n+  <compound refid=\"fft_8cpp\" kind=\"file\">\n+    <name>fft.cpp</name>\n+    <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n+      <name>gmx_many_fft_t</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n+      <name>gmx_fft_init_many_1d</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n+      <name>gmx_fft_init_many_1d_real</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n+      <name>gmx_fft_many_1d</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n+      <name>gmx_fft_many_1d_real</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n+      <name>gmx_many_fft_destroy</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n+      <name>gmx_fft_transpose_2d</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n+    <name>fft.cpp</name>\n+  </compound>\n   <compound refid=\"fft_8h\" kind=\"file\">\n     <name>fft.h</name>\n     <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302\" kind=\"enum\">\n       <name>gmx_fft_direction</name>\n     </member>\n     <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302a27ed3f7728bda473c6ebe5cb4cd56a3b\" kind=\"enumvalue\">\n       <name>GMX_FFT_FORWARD</name>\n@@ -81566,41 +81557,14 @@\n   </compound>\n   <compound refid=\"rocfft__common__utils_8cpp\" kind=\"file\">\n     <name>rocfft_common_utils.cpp</name>\n   </compound>\n   <compound refid=\"rocfft__common__utils_8h\" kind=\"file\">\n     <name>rocfft_common_utils.h</name>\n   </compound>\n-  <compound refid=\"fft_8cpp\" kind=\"file\">\n-    <name>fft.cpp</name>\n-    <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n-      <name>gmx_many_fft_t</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n-      <name>gmx_fft_init_many_1d</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n-      <name>gmx_fft_init_many_1d_real</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n-      <name>gmx_fft_many_1d</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n-      <name>gmx_fft_many_1d_real</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n-      <name>gmx_many_fft_destroy</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n-      <name>gmx_fft_transpose_2d</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n-    <name>fft.cpp</name>\n-  </compound>\n   <compound refid=\"fft__mpi_8cpp\" kind=\"file\">\n     <name>fft_mpi.cpp</name>\n   </compound>\n   <compound refid=\"checkpoint_8h\" kind=\"file\">\n     <name>checkpoint.h</name>\n     <member refid=\"checkpoint_8h_1a825dd15142a6e46b9dec5e2710bf3572\" kind=\"define\">\n       <name>GMX_IGNORE_FSYNC_FAILURE_ENV</name>\n@@ -82799,14 +82763,122 @@\n     <member refid=\"libxdrf_8cpp_1a03f66c42bf5da5b05abf6c042f9296cf\" kind=\"function\">\n       <name>xdr_xtc_get_last_frame_time</name>\n     </member>\n     <member refid=\"libxdrf_8cpp_1af7efed4286f1cafc2b34f24368072dc5\" kind=\"function\">\n       <name>xdr_xtc_get_last_frame_number</name>\n     </member>\n   </compound>\n+  <compound refid=\"matio_8cpp\" kind=\"file\">\n+    <name>matio.cpp</name>\n+    <member refid=\"matio_8cpp_1a0308482d69a4ee8eb07c20880792a361\" kind=\"define\">\n+      <name>NMAP</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1e605e8e63f4d3c63bca9dcced15e1d5\" kind=\"variable\">\n+      <name>mapper</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1af441287d67d39ef515faf2daa7642389\" kind=\"function\">\n+      <name>mk_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a2145005d94ed36098cdaa0beddd7766c\" kind=\"function\">\n+      <name>done_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1e0dfea2f27cd79207235d925e82dfde\" kind=\"function\">\n+      <name>searchcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ad89ef9cb4e7dd0288bcb5b8e519e5fe2\" kind=\"function\">\n+      <name>getcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a09ed82e441a57615c0c9cf0e0324d8f2\" kind=\"function\">\n+      <name>readcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1aee438e4253adcb4cafa2be0237600195\" kind=\"function\">\n+      <name>printcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a60cb07b2145a9c971a9cb9edd5672855\" kind=\"function\">\n+      <name>writecmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a3baadbb25ce7efbb67f7a536988ec7d2\" kind=\"function\">\n+      <name>fgetline</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a0a9db3e1ae390a48cc49217b8b568bfe\" kind=\"function\">\n+      <name>skipstr</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1696c56e9e7057360f910fd323b44ab1\" kind=\"function\">\n+      <name>line2string</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a3037a3e65b2dc17af6da2cd9baf6a752\" kind=\"function\">\n+      <name>findLabelInLine</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a9cf586735fc75daa721339984464be2f\" kind=\"function\">\n+      <name>read_xpm_entry</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1aa63c9eb80a4ab9b8f3c48c0f36d68b51\" kind=\"function\">\n+      <name>read_xpm_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a163152bcdf98a1752b1da29ec7f7a683\" kind=\"function\">\n+      <name>matrix2real</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a065a451805be2b518575fef5a929ff04\" kind=\"function\">\n+      <name>write_xpm_header</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a2296e04cd6531c54330938f78d05a1aa\" kind=\"function\">\n+      <name>calc_nmid</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a4bac1db7dfe3631eb76e1923fe1b24f0\" kind=\"function\">\n+      <name>write_xpm_map3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a64c6e1b8341da28e072463a2495b092d\" kind=\"function\">\n+      <name>pr_simple_cmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a712f2d2c6daac29180d7657a14d82233\" kind=\"function\">\n+      <name>pr_discrete_cmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1504735a6f15365c5dc9357af9b05a90\" kind=\"function\">\n+      <name>write_xpm_map_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a5db5737111586ff5cd5511c1c92aecc5\" kind=\"function\">\n+      <name>write_xpm_map</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a09c335879e3ab4ffcc34d88f285748a9\" kind=\"function\">\n+      <name>writeXpmAxis</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a8ccf4c946436f39f3fab15766e681f42\" kind=\"function\">\n+      <name>write_xpm_data</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a44be6116e4b0b857fc433adbe8ebe03e\" kind=\"function\">\n+      <name>write_xpm_data3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae23514a15ae0cffd9780b96541cb5b04\" kind=\"function\">\n+      <name>write_xpm_data_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1091d9715c36182a853ca034eb34c801\" kind=\"function\">\n+      <name>write_xpm_m</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ab1cc4b70bfef6bf4f38b24f9c20666a2\" kind=\"function\">\n+      <name>write_xpm3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae5ce3e56169e8ee128e5cc11fe2d8a89\" kind=\"function\">\n+      <name>write_xpm3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae5f41f49a9c105dfe0bc1967916f9691\" kind=\"function\">\n+      <name>write_xpm_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a17397278d7afc85fc875aeb6b45c285c\" kind=\"function\">\n+      <name>write_xpm_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a412b104ebc6167f489ce1939a7393934\" kind=\"function\">\n+      <name>write_xpm</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a05bdb8be8ed36d46f1cb82722490da71\" kind=\"function\">\n+      <name>write_xpm</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2matio_8cpp\" kind=\"file\">\n+    <name>matio.cpp</name>\n+  </compound>\n   <compound refid=\"matio_8h\" kind=\"file\">\n     <name>matio.h</name>\n     <member refid=\"matio_8h_1a24594a24b23a8ea2742ccb1e693dddf3\" kind=\"define\">\n       <name>MAT_SPATIAL_X</name>\n     </member>\n     <member refid=\"matio_8h_1af4c5cfad61fbd418d7d4516b032c9232\" kind=\"define\">\n       <name>MAT_SPATIAL_Y</name>\n@@ -83126,17 +83198,29 @@\n     <member refid=\"md5_8h_1aef110c087a4e55838af70fb379d3f7c1\" kind=\"function\">\n       <name>gmx_md5_append</name>\n     </member>\n     <member refid=\"md5_8h_1a21c99362bb92e38fe3703724a1581ff3\" kind=\"function\">\n       <name>gmx_md5_finish</name>\n     </member>\n   </compound>\n+  <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n+    <name>mrcdensitymap.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n+    <name>mrcdensitymap.cpp</name>\n+  </compound>\n   <compound refid=\"mrcdensitymap_8h\" kind=\"file\">\n     <name>mrcdensitymap.h</name>\n   </compound>\n+  <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n+    <name>mrcdensitymapheader.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n+    <name>mrcdensitymapheader.cpp</name>\n+  </compound>\n   <compound refid=\"mrcdensitymapheader_8h\" kind=\"file\">\n     <name>mrcdensitymapheader.h</name>\n   </compound>\n   <compound refid=\"mrcserializer_8cpp\" kind=\"file\">\n     <name>mrcserializer.cpp</name>\n   </compound>\n   <compound refid=\"tests_2mrcserializer_8cpp\" kind=\"file\">\n@@ -83306,298 +83390,181 @@\n     <member refid=\"pdbio_8cpp_1a6eae00e2ee38e67cb17d79c0061f469a\" kind=\"function\">\n       <name>gmx_conect_generate</name>\n     </member>\n     <member refid=\"pdbio_8cpp_1a7b4ba791c03b62466c00ceb8fe54ad70\" kind=\"function\">\n       <name>gmx_fprintf_pdb_atomline</name>\n     </member>\n   </compound>\n-  <compound refid=\"readinp_8h\" kind=\"file\">\n-    <name>readinp.h</name>\n-    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3d\" kind=\"enum\">\n-      <name>WriteMdpHeader</name>\n-    </member>\n-    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3da7fa3b767c460b54a2be4d49030b349c7\" kind=\"enumvalue\">\n-      <name>no</name>\n-    </member>\n-    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3daa6105c0a611b41b08f1209506350279e\" kind=\"enumvalue\">\n-      <name>yes</name>\n-    </member>\n-    <member refid=\"readinp_8h_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n+  <compound refid=\"readinp_8cpp\" kind=\"file\">\n+    <name>readinp.cpp</name>\n+    <member refid=\"readinp_8cpp_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n       <name>read_inpfile</name>\n     </member>\n-    <member refid=\"readinp_8h_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n       <name>flatKeyValueTreeFromInpFile</name>\n     </member>\n-    <member refid=\"readinp_8h_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1aabb4e9560d52b48e3439c85bc2934e11\" kind=\"function\">\n+      <name>sort_inp</name>\n+    </member>\n+    <member refid=\"readinp_8cpp_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n       <name>write_inpfile</name>\n     </member>\n-    <member refid=\"readinp_8h_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n       <name>replace_inp_entry</name>\n     </member>\n-    <member refid=\"readinp_8h_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n       <name>search_einp</name>\n     </member>\n-    <member refid=\"readinp_8h_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n       <name>mark_einp_set</name>\n     </member>\n-    <member refid=\"readinp_8h_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n+      <name>get_einp</name>\n+    </member>\n+    <member refid=\"readinp_8cpp_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n       <name>get_eint</name>\n     </member>\n-    <member refid=\"readinp_8h_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n       <name>get_eint</name>\n     </member>\n-    <member refid=\"readinp_8h_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n       <name>get_eint64</name>\n     </member>\n-    <member refid=\"readinp_8h_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n       <name>get_eint64</name>\n     </member>\n-    <member refid=\"readinp_8h_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n       <name>get_ereal</name>\n     </member>\n-    <member refid=\"readinp_8h_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n       <name>get_ereal</name>\n     </member>\n-    <member refid=\"readinp_8h_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n       <name>get_estr</name>\n     </member>\n-    <member refid=\"readinp_8h_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n       <name>get_estr</name>\n     </member>\n-    <member refid=\"readinp_8h_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n       <name>get_eeenum</name>\n     </member>\n-    <member refid=\"readinp_8h_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n       <name>get_eeenum</name>\n     </member>\n-    <member refid=\"readinp_8h_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n       <name>get_eenum</name>\n     </member>\n-    <member refid=\"readinp_8h_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n-      <name>get_einp</name>\n-    </member>\n-    <member refid=\"readinp_8h_1af8857a9c9e6300197deec0af5d21a0eb\" kind=\"function\">\n-      <name>getEnum</name>\n-    </member>\n-    <member refid=\"readinp_8h_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n       <name>printStringNewline</name>\n     </member>\n-    <member refid=\"readinp_8h_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n       <name>printStringNoNewline</name>\n     </member>\n-    <member refid=\"readinp_8h_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n       <name>setStringEntry</name>\n     </member>\n-    <member refid=\"readinp_8h_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n+    <member refid=\"readinp_8cpp_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n       <name>setStringEntry</name>\n     </member>\n   </compound>\n-  <compound refid=\"rgb_8h\" kind=\"file\">\n-    <name>rgb.h</name>\n-  </compound>\n-  <compound refid=\"fileioxdrserializer_8cpp\" kind=\"file\">\n-    <name>fileioxdrserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"filemd5_8cpp\" kind=\"file\">\n-    <name>filemd5.cpp</name>\n+  <compound refid=\"tests_2readinp_8cpp\" kind=\"file\">\n+    <name>readinp.cpp</name>\n   </compound>\n-  <compound refid=\"matio_8cpp\" kind=\"file\">\n-    <name>matio.cpp</name>\n-    <member refid=\"matio_8cpp_1a0308482d69a4ee8eb07c20880792a361\" kind=\"define\">\n-      <name>NMAP</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1e605e8e63f4d3c63bca9dcced15e1d5\" kind=\"variable\">\n-      <name>mapper</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1af441287d67d39ef515faf2daa7642389\" kind=\"function\">\n-      <name>mk_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a2145005d94ed36098cdaa0beddd7766c\" kind=\"function\">\n-      <name>done_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1e0dfea2f27cd79207235d925e82dfde\" kind=\"function\">\n-      <name>searchcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ad89ef9cb4e7dd0288bcb5b8e519e5fe2\" kind=\"function\">\n-      <name>getcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a09ed82e441a57615c0c9cf0e0324d8f2\" kind=\"function\">\n-      <name>readcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1aee438e4253adcb4cafa2be0237600195\" kind=\"function\">\n-      <name>printcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a60cb07b2145a9c971a9cb9edd5672855\" kind=\"function\">\n-      <name>writecmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a3baadbb25ce7efbb67f7a536988ec7d2\" kind=\"function\">\n-      <name>fgetline</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a0a9db3e1ae390a48cc49217b8b568bfe\" kind=\"function\">\n-      <name>skipstr</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1696c56e9e7057360f910fd323b44ab1\" kind=\"function\">\n-      <name>line2string</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a3037a3e65b2dc17af6da2cd9baf6a752\" kind=\"function\">\n-      <name>findLabelInLine</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a9cf586735fc75daa721339984464be2f\" kind=\"function\">\n-      <name>read_xpm_entry</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1aa63c9eb80a4ab9b8f3c48c0f36d68b51\" kind=\"function\">\n-      <name>read_xpm_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a163152bcdf98a1752b1da29ec7f7a683\" kind=\"function\">\n-      <name>matrix2real</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a065a451805be2b518575fef5a929ff04\" kind=\"function\">\n-      <name>write_xpm_header</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a2296e04cd6531c54330938f78d05a1aa\" kind=\"function\">\n-      <name>calc_nmid</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a4bac1db7dfe3631eb76e1923fe1b24f0\" kind=\"function\">\n-      <name>write_xpm_map3</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a64c6e1b8341da28e072463a2495b092d\" kind=\"function\">\n-      <name>pr_simple_cmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a712f2d2c6daac29180d7657a14d82233\" kind=\"function\">\n-      <name>pr_discrete_cmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1504735a6f15365c5dc9357af9b05a90\" kind=\"function\">\n-      <name>write_xpm_map_split</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a5db5737111586ff5cd5511c1c92aecc5\" kind=\"function\">\n-      <name>write_xpm_map</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a09c335879e3ab4ffcc34d88f285748a9\" kind=\"function\">\n-      <name>writeXpmAxis</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a8ccf4c946436f39f3fab15766e681f42\" kind=\"function\">\n-      <name>write_xpm_data</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a44be6116e4b0b857fc433adbe8ebe03e\" kind=\"function\">\n-      <name>write_xpm_data3</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ae23514a15ae0cffd9780b96541cb5b04\" kind=\"function\">\n-      <name>write_xpm_data_split</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1091d9715c36182a853ca034eb34c801\" kind=\"function\">\n-      <name>write_xpm_m</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ab1cc4b70bfef6bf4f38b24f9c20666a2\" kind=\"function\">\n-      <name>write_xpm3</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ae5ce3e56169e8ee128e5cc11fe2d8a89\" kind=\"function\">\n-      <name>write_xpm3</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ae5f41f49a9c105dfe0bc1967916f9691\" kind=\"function\">\n-      <name>write_xpm_split</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a17397278d7afc85fc875aeb6b45c285c\" kind=\"function\">\n-      <name>write_xpm_split</name>\n+  <compound refid=\"readinp_8h\" kind=\"file\">\n+    <name>readinp.h</name>\n+    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3d\" kind=\"enum\">\n+      <name>WriteMdpHeader</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a412b104ebc6167f489ce1939a7393934\" kind=\"function\">\n-      <name>write_xpm</name>\n+    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3da7fa3b767c460b54a2be4d49030b349c7\" kind=\"enumvalue\">\n+      <name>no</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a05bdb8be8ed36d46f1cb82722490da71\" kind=\"function\">\n-      <name>write_xpm</name>\n+    <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3daa6105c0a611b41b08f1209506350279e\" kind=\"enumvalue\">\n+      <name>yes</name>\n     </member>\n-  </compound>\n-  <compound refid=\"tests_2matio_8cpp\" kind=\"file\">\n-    <name>matio.cpp</name>\n-  </compound>\n-  <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n-    <name>mrcdensitymap.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n-    <name>mrcdensitymap.cpp</name>\n-  </compound>\n-  <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n-    <name>mrcdensitymapheader.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n-    <name>mrcdensitymapheader.cpp</name>\n-  </compound>\n-  <compound refid=\"readinp_8cpp\" kind=\"file\">\n-    <name>readinp.cpp</name>\n-    <member refid=\"readinp_8cpp_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n       <name>read_inpfile</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n       <name>flatKeyValueTreeFromInpFile</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1aabb4e9560d52b48e3439c85bc2934e11\" kind=\"function\">\n-      <name>sort_inp</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n       <name>write_inpfile</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n       <name>replace_inp_entry</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n       <name>search_einp</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n       <name>mark_einp_set</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n-      <name>get_einp</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n       <name>get_eint</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n       <name>get_eint</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n       <name>get_eint64</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n       <name>get_eint64</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n+    <member refid=\"readinp_8h_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n       <name>get_ereal</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n       <name>get_ereal</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n       <name>get_estr</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n+    <member refid=\"readinp_8h_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n       <name>get_estr</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n       <name>get_eeenum</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n       <name>get_eeenum</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n       <name>get_eenum</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n+      <name>get_einp</name>\n+    </member>\n+    <member refid=\"readinp_8h_1af8857a9c9e6300197deec0af5d21a0eb\" kind=\"function\">\n+      <name>getEnum</name>\n+    </member>\n+    <member refid=\"readinp_8h_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n       <name>printStringNewline</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n+    <member refid=\"readinp_8h_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n       <name>printStringNoNewline</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n+    <member refid=\"readinp_8h_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n       <name>setStringEntry</name>\n     </member>\n-    <member refid=\"readinp_8cpp_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n+    <member refid=\"readinp_8h_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n       <name>setStringEntry</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2readinp_8cpp\" kind=\"file\">\n-    <name>readinp.cpp</name>\n+  <compound refid=\"rgb_8h\" kind=\"file\">\n+    <name>rgb.h</name>\n+  </compound>\n+  <compound refid=\"fileioxdrserializer_8cpp\" kind=\"file\">\n+    <name>fileioxdrserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"filemd5_8cpp\" kind=\"file\">\n+    <name>filemd5.cpp</name>\n+  </compound>\n+  <compound refid=\"xvgio_8cpp\" kind=\"file\">\n+    <name>xvgio.cpp</name>\n   </compound>\n   <compound refid=\"tests_2timecontrol_8cpp\" kind=\"file\">\n     <name>timecontrol.cpp</name>\n   </compound>\n   <compound refid=\"timecontrol_8cpp\" kind=\"file\">\n     <name>timecontrol.cpp</name>\n     <member refid=\"timecontrol_8cpp_1a111e68d9dbee5453934ba1aed850f432\" kind=\"variable\">\n@@ -83612,17 +83579,14 @@\n     <member refid=\"timecontrol_8cpp_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n       <name>setTimeValue</name>\n     </member>\n     <member refid=\"timecontrol_8cpp_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n       <name>unsetTimeValue</name>\n     </member>\n   </compound>\n-  <compound refid=\"xvgio_8cpp\" kind=\"file\">\n-    <name>xvgio.cpp</name>\n-  </compound>\n   <compound refid=\"timecontrol_8h\" kind=\"file\">\n     <name>timecontrol.h</name>\n     <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2\" kind=\"enum\">\n       <name>TimeControl</name>\n     </member>\n     <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a1a06729125544cab7cee73195fc044f0\" kind=\"enumvalue\">\n       <name>Begin</name>\n@@ -86027,14 +85991,80 @@\n     <member refid=\"gmx__bundle_8cpp_1a98289b67ef7d487f3b11a68063c2276c\" kind=\"function\">\n       <name>dump_axes</name>\n     </member>\n     <member refid=\"gmx__bundle_8cpp_1ac095c401abfb1ada847de8b7c978d4af\" kind=\"function\">\n       <name>gmx_bundle</name>\n     </member>\n   </compound>\n+  <compound refid=\"gmx__chi_8cpp\" kind=\"file\">\n+    <name>gmx_chi.cpp</name>\n+    <member refid=\"gmx__chi_8cpp_1a4262b659dd03f71a3fd04e97851302d1\" kind=\"define\">\n+      <name>INDEX</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a2b0493e4bfe7e2a3664e1c969df57d6c\" kind=\"define\">\n+      <name>NKKKPHI</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a3b19d932c681980f6c24dad9e15569f9\" kind=\"define\">\n+      <name>NKKKPSI</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a4ecb31f8bb6f8a286753b3aa648637b7\" kind=\"define\">\n+      <name>NKKKCHI</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1af4639ca7110acc64ea12a61d6d7a9b9b\" kind=\"define\">\n+      <name>NJC</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a9fb1d82db119e585aeab609317f87f01\" kind=\"define\">\n+      <name>NLEG</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1ac95c9851c079cc1a5a7ebdfecd04305f\" kind=\"function\">\n+      <name>bAllowed</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a60a1cfc1d9a2f310f8517db3c7b27db6\" kind=\"function\">\n+      <name>make_chi_ind</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a930d2aeec1674610bd32d616cb570051\" kind=\"function\">\n+      <name>do_dihcorr</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1acd19d44a0a79750a2b1fd82ba9b61621\" kind=\"function\">\n+      <name>copy_dih_data</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a3121412ce0ca63937f136cba9d4e516c\" kind=\"function\">\n+      <name>dump_em_all</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1ac1c84a6e2b99dd4ebc8af263d1905011\" kind=\"function\">\n+      <name>reset_one</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a793640d78cda35a9c6623db55e65fdfb\" kind=\"function\">\n+      <name>reset_em_all</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1aafd2c56f2dbf8c105e8b6882bec59cf4\" kind=\"function\">\n+      <name>histogramming</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a9249b3c0afa287de22da243318080bb1\" kind=\"function\">\n+      <name>rama_file</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a9bf8d7913ca83c49c15ccaeb8afab9ed\" kind=\"function\">\n+      <name>do_rama</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a9c33f66c5cd1072c828eeb41eb96f321\" kind=\"function\">\n+      <name>print_transitions</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1a1bb52bc2104e63d1b1e283f08e4eceec\" kind=\"function\">\n+      <name>order_params</name>\n+    </member>\n+    <member refid=\"gmx__chi_8cpp_1ad7fe7319f03eb4bb0dcbc068ed192ba3\" kind=\"function\">\n+      <name>gmx_chi</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n+    <name>gmx_chi.cpp</name>\n+  </compound>\n   <compound refid=\"gmx__cluster_8cpp\" kind=\"file\">\n     <name>gmx_cluster.cpp</name>\n     <member refid=\"gmx__cluster_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n       <name>NFILE</name>\n     </member>\n     <member refid=\"gmx__cluster_8cpp_1ab1ebaceed7153838a68b0577434e8718\" kind=\"function\">\n       <name>lo_ffprintf</name>\n@@ -88625,80 +88655,14 @@\n     <member refid=\"sfactor_8h_1a0ad710f8cbbce0f21987cb3a76fbb92c\" kind=\"function\">\n       <name>compute_scattering_factor_table</name>\n     </member>\n   </compound>\n   <compound refid=\"entropy_8cpp\" kind=\"file\">\n     <name>entropy.cpp</name>\n   </compound>\n-  <compound refid=\"gmx__chi_8cpp\" kind=\"file\">\n-    <name>gmx_chi.cpp</name>\n-    <member refid=\"gmx__chi_8cpp_1a4262b659dd03f71a3fd04e97851302d1\" kind=\"define\">\n-      <name>INDEX</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a2b0493e4bfe7e2a3664e1c969df57d6c\" kind=\"define\">\n-      <name>NKKKPHI</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a3b19d932c681980f6c24dad9e15569f9\" kind=\"define\">\n-      <name>NKKKPSI</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a4ecb31f8bb6f8a286753b3aa648637b7\" kind=\"define\">\n-      <name>NKKKCHI</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1af4639ca7110acc64ea12a61d6d7a9b9b\" kind=\"define\">\n-      <name>NJC</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a9fb1d82db119e585aeab609317f87f01\" kind=\"define\">\n-      <name>NLEG</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1ac95c9851c079cc1a5a7ebdfecd04305f\" kind=\"function\">\n-      <name>bAllowed</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a60a1cfc1d9a2f310f8517db3c7b27db6\" kind=\"function\">\n-      <name>make_chi_ind</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a930d2aeec1674610bd32d616cb570051\" kind=\"function\">\n-      <name>do_dihcorr</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1acd19d44a0a79750a2b1fd82ba9b61621\" kind=\"function\">\n-      <name>copy_dih_data</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a3121412ce0ca63937f136cba9d4e516c\" kind=\"function\">\n-      <name>dump_em_all</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1ac1c84a6e2b99dd4ebc8af263d1905011\" kind=\"function\">\n-      <name>reset_one</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a793640d78cda35a9c6623db55e65fdfb\" kind=\"function\">\n-      <name>reset_em_all</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1aafd2c56f2dbf8c105e8b6882bec59cf4\" kind=\"function\">\n-      <name>histogramming</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a9249b3c0afa287de22da243318080bb1\" kind=\"function\">\n-      <name>rama_file</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a9bf8d7913ca83c49c15ccaeb8afab9ed\" kind=\"function\">\n-      <name>do_rama</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a9c33f66c5cd1072c828eeb41eb96f321\" kind=\"function\">\n-      <name>print_transitions</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1a1bb52bc2104e63d1b1e283f08e4eceec\" kind=\"function\">\n-      <name>order_params</name>\n-    </member>\n-    <member refid=\"gmx__chi_8cpp_1ad7fe7319f03eb4bb0dcbc068ed192ba3\" kind=\"function\">\n-      <name>gmx_chi</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n-    <name>gmx_chi.cpp</name>\n-  </compound>\n   <compound refid=\"thermochemistry_8cpp\" kind=\"file\">\n     <name>thermochemistry.cpp</name>\n     <member refid=\"thermochemistry_8cpp_1afc7d98bd66f32ce4d86bd4036f675ae3\" kind=\"function\">\n       <name>eigenvalueToFrequency</name>\n     </member>\n     <member refid=\"thermochemistry_8cpp_1a094b8991b247289b362ebac6cedd4d95\" kind=\"function\">\n       <name>calcZeroPointEnergy</name>\n@@ -89762,14 +89726,32 @@\n   </compound>\n   <compound refid=\"gen__ad_8h\" kind=\"file\">\n     <name>gen_ad.h</name>\n     <member refid=\"gen__ad_8h_1a2dccd848375bda9a12f0965dc37e0d56\" kind=\"function\">\n       <name>gen_pad</name>\n     </member>\n   </compound>\n+  <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n+    <name>gen_maxwell_velocities.cpp</name>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n+      <name>low_mspeed</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n+      <name>maxwell_speed</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n+      <name>calc_cm</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n+      <name>stop_cm</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n+    <name>gen_maxwell_velocities.cpp</name>\n+  </compound>\n   <compound refid=\"gen__maxwell__velocities_8h\" kind=\"file\">\n     <name>gen_maxwell_velocities.h</name>\n     <member refid=\"gen__maxwell__velocities_8h_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n       <name>maxwell_speed</name>\n     </member>\n     <member refid=\"gen__maxwell__velocities_8h_1afae4ed9c089423241f3c87c7ac5cc89b\" kind=\"function\">\n       <name>stop_cm</name>\n@@ -89981,20 +89963,68 @@\n   </compound>\n   <compound refid=\"genhydro_8h\" kind=\"file\">\n     <name>genhydro.h</name>\n     <member refid=\"genhydro_8h_1a7cdba946c8b2e43fff174dfc3756f479\" kind=\"function\">\n       <name>add_h</name>\n     </member>\n   </compound>\n+  <compound refid=\"genion_8cpp\" kind=\"file\">\n+    <name>genion.cpp</name>\n+    <member refid=\"genion_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a34d5f00766619bdb7693dc6903c10a76\" kind=\"function\">\n+      <name>groupsCloserThanCutoffWithPbc</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a9620908c96f01a54de6801be59e81960\" kind=\"function\">\n+      <name>solventMoleculeIndices</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1ad0e4fca72d0601f69f79b1950ce02008\" kind=\"function\">\n+      <name>insert_ion</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a592b661f8e6a4fc3120cc7b459226a8f\" kind=\"function\">\n+      <name>aname</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a9ebc45f9635d35efc7b1d2fb36642330\" kind=\"function\">\n+      <name>sort_ions</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a0c1156ade60e4ab57ba686e75364f09f\" kind=\"function\">\n+      <name>update_topol</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a712596338c1cb9bbb5d950530125ed57\" kind=\"function\">\n+      <name>invertIndexGroup</name>\n+    </member>\n+    <member refid=\"genion_8cpp_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n+      <name>gmx_genion</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2genion_8cpp\" kind=\"file\">\n+    <name>genion.cpp</name>\n+  </compound>\n   <compound refid=\"genion_8h\" kind=\"file\">\n     <name>genion.h</name>\n     <member refid=\"genion_8h_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n       <name>gmx_genion</name>\n     </member>\n   </compound>\n+  <compound refid=\"genrestr_8cpp\" kind=\"file\">\n+    <name>genrestr.cpp</name>\n+    <member refid=\"genrestr_8cpp_1a991ca54733f8b2ab497f259dece78179\" kind=\"define\">\n+      <name>npargs</name>\n+    </member>\n+    <member refid=\"genrestr_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"genrestr_8cpp_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n+      <name>gmx_genrestr</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2genrestr_8cpp\" kind=\"file\">\n+    <name>genrestr.cpp</name>\n+  </compound>\n   <compound refid=\"genrestr_8h\" kind=\"file\">\n     <name>genrestr.h</name>\n     <member refid=\"genrestr_8h_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n       <name>gmx_genrestr</name>\n     </member>\n   </compound>\n   <compound refid=\"gmxcpp_8cpp\" kind=\"file\">\n@@ -90440,14 +90470,20 @@\n   </compound>\n   <compound refid=\"makeexclusiondistances_8h\" kind=\"file\">\n     <name>makeexclusiondistances.h</name>\n     <member refid=\"makeexclusiondistances_8h_1ac6c1fd7ee9bb7cb224b1d7513b20c8d0\" kind=\"function\">\n       <name>makeExclusionDistances</name>\n     </member>\n   </compound>\n+  <compound refid=\"massrepartitioning_8cpp\" kind=\"file\">\n+    <name>massrepartitioning.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2massrepartitioning_8cpp\" kind=\"file\">\n+    <name>massrepartitioning.cpp</name>\n+  </compound>\n   <compound refid=\"massrepartitioning_8h\" kind=\"file\">\n     <name>massrepartitioning.h</name>\n   </compound>\n   <compound refid=\"nm2type_8cpp\" kind=\"file\">\n     <name>nm2type.cpp</name>\n     <member refid=\"nm2type_8cpp_1a6b07e4871725dde4c716eb22b99d2231\" kind=\"define\">\n       <name>prev</name>\n@@ -91175,89 +91211,17 @@\n     <member refid=\"ter__db_8h_1af169aeff76251c88472edfbd83e9a4fe\" kind=\"function\">\n       <name>filter_ter</name>\n     </member>\n     <member refid=\"ter__db_8h_1a55ce9712e17d4916742f198a941739ba\" kind=\"function\">\n       <name>choose_ter</name>\n     </member>\n   </compound>\n-  <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n-    <name>gen_maxwell_velocities.cpp</name>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n-      <name>low_mspeed</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n-      <name>maxwell_speed</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n-      <name>calc_cm</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n-      <name>stop_cm</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n-    <name>gen_maxwell_velocities.cpp</name>\n-  </compound>\n-  <compound refid=\"genion_8cpp\" kind=\"file\">\n-    <name>genion.cpp</name>\n-    <member refid=\"genion_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a34d5f00766619bdb7693dc6903c10a76\" kind=\"function\">\n-      <name>groupsCloserThanCutoffWithPbc</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a9620908c96f01a54de6801be59e81960\" kind=\"function\">\n-      <name>solventMoleculeIndices</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1ad0e4fca72d0601f69f79b1950ce02008\" kind=\"function\">\n-      <name>insert_ion</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a592b661f8e6a4fc3120cc7b459226a8f\" kind=\"function\">\n-      <name>aname</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a9ebc45f9635d35efc7b1d2fb36642330\" kind=\"function\">\n-      <name>sort_ions</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a0c1156ade60e4ab57ba686e75364f09f\" kind=\"function\">\n-      <name>update_topol</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a712596338c1cb9bbb5d950530125ed57\" kind=\"function\">\n-      <name>invertIndexGroup</name>\n-    </member>\n-    <member refid=\"genion_8cpp_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n-      <name>gmx_genion</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2genion_8cpp\" kind=\"file\">\n-    <name>genion.cpp</name>\n-  </compound>\n-  <compound refid=\"genrestr_8cpp\" kind=\"file\">\n-    <name>genrestr.cpp</name>\n-    <member refid=\"genrestr_8cpp_1a991ca54733f8b2ab497f259dece78179\" kind=\"define\">\n-      <name>npargs</name>\n-    </member>\n-    <member refid=\"genrestr_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"genrestr_8cpp_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n-      <name>gmx_genrestr</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2genrestr_8cpp\" kind=\"file\">\n-    <name>genrestr.cpp</name>\n-  </compound>\n   <compound refid=\"grompp__directives_8cpp\" kind=\"file\">\n     <name>grompp_directives.cpp</name>\n   </compound>\n-  <compound refid=\"massrepartitioning_8cpp\" kind=\"file\">\n-    <name>massrepartitioning.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2massrepartitioning_8cpp\" kind=\"file\">\n-    <name>massrepartitioning.cpp</name>\n-  </compound>\n   <compound refid=\"tomorse_8cpp\" kind=\"file\">\n     <name>tomorse.cpp</name>\n     <member refid=\"tomorse_8cpp_1a49f9ac0e0b195dafac44f351d83be82c\" kind=\"function\">\n       <name>read_dissociation_energies</name>\n     </member>\n     <member refid=\"tomorse_8cpp_1a91e540f22f3a8a313122518d3f3b7410\" kind=\"function\">\n       <name>nequal</name>\n@@ -91973,14 +91937,20 @@\n   </compound>\n   <compound refid=\"device__stream__hip_8cpp\" kind=\"file\">\n     <name>device_stream_hip.cpp</name>\n     <member refid=\"device__stream__hip_8cpp_1a58108380208933afeae64749e1aec3ea\" kind=\"function\">\n       <name>issueClFlushInStream</name>\n     </member>\n   </compound>\n+  <compound refid=\"device__stream__manager_8cpp\" kind=\"file\">\n+    <name>device_stream_manager.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2device__stream__manager_8cpp\" kind=\"file\">\n+    <name>device_stream_manager.cpp</name>\n+  </compound>\n   <compound refid=\"device__stream__manager_8h\" kind=\"file\">\n     <name>device_stream_manager.h</name>\n   </compound>\n   <compound refid=\"device__stream__ocl_8cpp\" kind=\"file\">\n     <name>device_stream_ocl.cpp</name>\n     <member refid=\"device__stream__ocl_8cpp_1ab205e2ed9bd8ee2182dd6ec5ab106eb4\" kind=\"function\">\n       <name>issueClFlushInStream</name>\n@@ -92654,20 +92624,14 @@\n   </compound>\n   <compound refid=\"device__availability_8cpp\" kind=\"file\">\n     <name>device_availability.cpp</name>\n   </compound>\n   <compound refid=\"device__buffer_8cpp\" kind=\"file\">\n     <name>device_buffer.cpp</name>\n   </compound>\n-  <compound refid=\"device__stream__manager_8cpp\" kind=\"file\">\n-    <name>device_stream_manager.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2device__stream__manager_8cpp\" kind=\"file\">\n-    <name>device_stream_manager.cpp</name>\n-  </compound>\n   <compound refid=\"devicetransfers_8cpp\" kind=\"file\">\n     <name>devicetransfers.cpp</name>\n   </compound>\n   <compound refid=\"devicetransfers_8h\" kind=\"file\">\n     <name>devicetransfers.h</name>\n   </compound>\n   <compound refid=\"devicetransfers__hip_8cpp\" kind=\"file\">\n@@ -92840,20 +92804,14 @@\n     <member refid=\"architecture_8h_1a965bb789642e63d96bbba0c303109a68\" kind=\"define\">\n       <name>GMX_IS_X86_32</name>\n     </member>\n     <member refid=\"architecture_8h_1a5049871d3b2298b99b58e3663ee8cd49\" kind=\"define\">\n       <name>GMX_IS_X86_64</name>\n     </member>\n   </compound>\n-  <compound refid=\"cpuinfo_8cpp\" kind=\"file\">\n-    <name>cpuinfo.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cpuinfo_8cpp\" kind=\"file\">\n-    <name>cpuinfo.cpp</name>\n-  </compound>\n   <compound refid=\"cpuinfo_8h\" kind=\"file\">\n     <name>cpuinfo.h</name>\n   </compound>\n   <compound refid=\"detecthardware_8cpp\" kind=\"file\">\n     <name>detecthardware.cpp</name>\n   </compound>\n   <compound refid=\"detecthardware_8h\" kind=\"file\">\n@@ -92927,38 +92885,14 @@\n     <member refid=\"device__information_8h_1ac5e061f503cbfb591cb6d94346642a4f\" kind=\"variable\">\n       <name>c_deviceStateString</name>\n     </member>\n     <member refid=\"device__information_8h_1aef2d241fb197eeedb2075aca2c65e467\" kind=\"variable\">\n       <name>c_canSerializeDeviceInformation</name>\n     </member>\n   </compound>\n-  <compound refid=\"device__management_8cpp\" kind=\"file\">\n-    <name>device_management.cpp</name>\n-    <member refid=\"device__management_8cpp_1a0579937ac9ed3975d887a3d976d94899\" kind=\"function\">\n-      <name>findDevices</name>\n-    </member>\n-    <member refid=\"device__management_8cpp_1a2151c2e4fcc6447a9d753c00748b0aa0\" kind=\"function\">\n-      <name>setActiveDevice</name>\n-    </member>\n-    <member refid=\"device__management_8cpp_1a54a03f20862afb35e4e7a2df2c3aeb11\" kind=\"function\">\n-      <name>releaseDevice</name>\n-    </member>\n-    <member refid=\"device__management_8cpp_1ac48c0894959f1adc0ea7ee42a450bfcc\" kind=\"function\">\n-      <name>getDeviceInformationString</name>\n-    </member>\n-    <member refid=\"device__management_8cpp_1a70b7a8e2b6c909a810b67bc62247949d\" kind=\"function\">\n-      <name>isDeviceDetectionFunctional</name>\n-    </member>\n-    <member refid=\"device__management_8cpp_1ad352fc020badbd5b17621a35a002785f\" kind=\"function\">\n-      <name>doubleCheckGpuAwareMpiWillWork</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2device__management_8cpp\" kind=\"file\">\n-    <name>device_management.cpp</name>\n-  </compound>\n   <compound refid=\"device__management_8h\" kind=\"file\">\n     <name>device_management.h</name>\n     <member refid=\"device__management_8h_1a57d76d8b0ef98a67c18b3cbe9d977059\" kind=\"function\">\n       <name>warnWhenDeviceNotTargeted</name>\n     </member>\n     <member refid=\"device__management_8h_1a7bec5d2c295de0eb79a6cda9ff0c1354\" kind=\"function\">\n       <name>canPerformDeviceDetection</name>\n@@ -93416,14 +93350,44 @@\n   </compound>\n   <compound refid=\"simd__support_8cpp\" kind=\"file\">\n     <name>simd_support.cpp</name>\n   </compound>\n   <compound refid=\"simd__support_8h\" kind=\"file\">\n     <name>simd_support.h</name>\n   </compound>\n+  <compound refid=\"cpuinfo_8cpp\" kind=\"file\">\n+    <name>cpuinfo.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cpuinfo_8cpp\" kind=\"file\">\n+    <name>cpuinfo.cpp</name>\n+  </compound>\n+  <compound refid=\"device__management_8cpp\" kind=\"file\">\n+    <name>device_management.cpp</name>\n+    <member refid=\"device__management_8cpp_1a0579937ac9ed3975d887a3d976d94899\" kind=\"function\">\n+      <name>findDevices</name>\n+    </member>\n+    <member refid=\"device__management_8cpp_1a2151c2e4fcc6447a9d753c00748b0aa0\" kind=\"function\">\n+      <name>setActiveDevice</name>\n+    </member>\n+    <member refid=\"device__management_8cpp_1a54a03f20862afb35e4e7a2df2c3aeb11\" kind=\"function\">\n+      <name>releaseDevice</name>\n+    </member>\n+    <member refid=\"device__management_8cpp_1ac48c0894959f1adc0ea7ee42a450bfcc\" kind=\"function\">\n+      <name>getDeviceInformationString</name>\n+    </member>\n+    <member refid=\"device__management_8cpp_1a70b7a8e2b6c909a810b67bc62247949d\" kind=\"function\">\n+      <name>isDeviceDetectionFunctional</name>\n+    </member>\n+    <member refid=\"device__management_8cpp_1ad352fc020badbd5b17621a35a002785f\" kind=\"function\">\n+      <name>doubleCheckGpuAwareMpiWillWork</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2device__management_8cpp\" kind=\"file\">\n+    <name>device_management.cpp</name>\n+  </compound>\n   <compound refid=\"mockhardwaretopology_8cpp\" kind=\"file\">\n     <name>mockhardwaretopology.cpp</name>\n   </compound>\n   <compound refid=\"imd_8cpp\" kind=\"file\">\n     <name>imd.cpp</name>\n   </compound>\n   <compound refid=\"imd_8h\" kind=\"file\">\n@@ -93836,14 +93800,41 @@\n     <member refid=\"orires_8h_1a558c2a0b81d1976025f8f0efd51af375\" kind=\"function\">\n       <name>print_orires_log</name>\n     </member>\n     <member refid=\"orires_8h_1ae3c8481da82a990b246b4ad54441b52f\" kind=\"function\">\n       <name>orires</name>\n     </member>\n   </compound>\n+  <compound refid=\"pairs_8cpp\" kind=\"file\">\n+    <name>pairs.cpp</name>\n+    <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n+      <name>warning_rlimit</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n+      <name>evaluate_single</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n+      <name>sixthRoot</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n+      <name>free_energy_evaluate_single</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n+      <name>do_pairs_general</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n+      <name>do_pairs_simple</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n+      <name>do_pairs</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n+    <name>pairs.cpp</name>\n+  </compound>\n   <compound refid=\"pairs_8h\" kind=\"file\">\n     <name>pairs.h</name>\n     <member refid=\"pairs_8h_1ace5a086b59154b99c7d2f5c4c91a4117\" kind=\"function\">\n       <name>do_pairs</name>\n     </member>\n   </compound>\n   <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n@@ -93893,41 +93884,14 @@\n     <member refid=\"restcbt_8h_1ae1ede5f31d34b57fc752545a08939c37\" kind=\"function\">\n       <name>compute_factors_restrdihs</name>\n     </member>\n     <member refid=\"restcbt_8h_1a96465d7ce23b11c49d9ae466eb68b179\" kind=\"function\">\n       <name>compute_factors_cbtdihs</name>\n     </member>\n   </compound>\n-  <compound refid=\"pairs_8cpp\" kind=\"file\">\n-    <name>pairs.cpp</name>\n-    <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n-      <name>warning_rlimit</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n-      <name>evaluate_single</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n-      <name>sixthRoot</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n-      <name>free_energy_evaluate_single</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n-      <name>do_pairs_general</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n-      <name>do_pairs_simple</name>\n-    </member>\n-    <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n-      <name>do_pairs</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n-    <name>pairs.cpp</name>\n-  </compound>\n   <compound refid=\"3dtransforms_8cpp\" kind=\"file\">\n     <name>3dtransforms.cpp</name>\n     <member refid=\"3dtransforms_8cpp_1a0240ac851181b84ac374872dc5434ee4\" kind=\"define\">\n       <name>N</name>\n     </member>\n     <member refid=\"3dtransforms_8cpp_1aba548083baf78d5645b0f083def8658c\" kind=\"function\">\n       <name>gmx_mat4_copy</name>\n@@ -94007,14 +93971,20 @@\n   </compound>\n   <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n     <name>exponentialmovingaverage.cpp</name>\n   </compound>\n   <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n     <name>exponentialmovingaverage.cpp</name>\n   </compound>\n+  <compound refid=\"functions_8cpp\" kind=\"file\">\n+    <name>functions.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n+    <name>functions.cpp</name>\n+  </compound>\n   <compound refid=\"gausstransform_8cpp\" kind=\"file\">\n     <name>gausstransform.cpp</name>\n   </compound>\n   <compound refid=\"tests_2gausstransform_8cpp\" kind=\"file\">\n     <name>gausstransform.cpp</name>\n   </compound>\n   <compound refid=\"3dtransforms_8h\" kind=\"file\">\n@@ -94172,14 +94142,26 @@\n     <member refid=\"vecdump_8h_1a6d924c37256aba65e5067df0647d6a65\" kind=\"function\">\n       <name>pr_rvecs</name>\n     </member>\n     <member refid=\"vecdump_8h_1a59dda941f52b146e8fd6aee4a7560d25\" kind=\"function\">\n       <name>prRVecs</name>\n     </member>\n   </compound>\n+  <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n+    <name>invertmatrix.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n+    <name>invertmatrix.cpp</name>\n+  </compound>\n+  <compound refid=\"neldermead_8cpp\" kind=\"file\">\n+    <name>neldermead.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n+    <name>neldermead.cpp</name>\n+  </compound>\n   <compound refid=\"nrjac_8cpp\" kind=\"file\">\n     <name>nrjac.cpp</name>\n     <member refid=\"nrjac_8cpp_1a6d6cb647c2567a5697787f3220473eb1\" kind=\"function\">\n       <name>do_rotate</name>\n     </member>\n     <member refid=\"nrjac_8cpp_1ae0b8142935e3a21104a6a44011de071b\" kind=\"function\">\n       <name>jacobi</name>\n@@ -94190,53 +94172,35 @@\n     <member refid=\"nrjac_8cpp_1a7df4ca6b4e4db74c4e58711242677763\" kind=\"function\">\n       <name>jacobi</name>\n     </member>\n     <member refid=\"nrjac_8cpp_1a1e3a4070205deab90fbe44bdc6e741b6\" kind=\"function\">\n       <name>m_inv_gen</name>\n     </member>\n   </compound>\n+  <compound refid=\"optimization_8cpp\" kind=\"file\">\n+    <name>optimization.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2optimization_8cpp\" kind=\"file\">\n+    <name>optimization.cpp</name>\n+  </compound>\n   <compound refid=\"arrayrefwithpadding_8cpp\" kind=\"file\">\n     <name>arrayrefwithpadding.cpp</name>\n   </compound>\n   <compound refid=\"boxmatrix_8cpp\" kind=\"file\">\n     <name>boxmatrix.cpp</name>\n   </compound>\n   <compound refid=\"complex_8cpp\" kind=\"file\">\n     <name>complex.cpp</name>\n   </compound>\n   <compound refid=\"dofit_8cpp\" kind=\"file\">\n     <name>dofit.cpp</name>\n   </compound>\n-  <compound refid=\"functions_8cpp\" kind=\"file\">\n-    <name>functions.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n-    <name>functions.cpp</name>\n-  </compound>\n-  <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n-    <name>invertmatrix.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n-    <name>invertmatrix.cpp</name>\n-  </compound>\n   <compound refid=\"multidimarray_8cpp\" kind=\"file\">\n     <name>multidimarray.cpp</name>\n   </compound>\n-  <compound refid=\"neldermead_8cpp\" kind=\"file\">\n-    <name>neldermead.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n-    <name>neldermead.cpp</name>\n-  </compound>\n-  <compound refid=\"optimization_8cpp\" kind=\"file\">\n-    <name>optimization.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2optimization_8cpp\" kind=\"file\">\n-    <name>optimization.cpp</name>\n-  </compound>\n   <compound refid=\"paddedvector_8cpp\" kind=\"file\">\n     <name>paddedvector.cpp</name>\n   </compound>\n   <compound refid=\"testarrayrefs_8h\" kind=\"file\">\n     <name>testarrayrefs.h</name>\n   </compound>\n   <compound refid=\"vectypes_8cpp\" kind=\"file\">\n@@ -94985,17 +94949,68 @@\n     <member refid=\"enerdata__utils_8h_1ad0e7876c7fe21f32738a4d4b0674428f\" kind=\"function\">\n       <name>accumulatePotentialEnergies</name>\n     </member>\n     <member refid=\"enerdata__utils_8h_1a0ef9689c928727407b033c5ae1a1eea1\" kind=\"function\">\n       <name>accumulateKineticLambdaComponents</name>\n     </member>\n   </compound>\n+  <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n+    <name>energydrifttracker.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n+    <name>energydrifttracker.cpp</name>\n+  </compound>\n   <compound refid=\"energydrifttracker_8h\" kind=\"file\">\n     <name>energydrifttracker.h</name>\n   </compound>\n+  <compound refid=\"energyoutput_8cpp\" kind=\"file\">\n+    <name>energyoutput.cpp</name>\n+    <member refid=\"energyoutput_8cpp_1ae702283029010214686db86ebefd064f\" kind=\"variable\">\n+      <name>conrmsd_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1af9a5df1cc0f79e30cd549d9390190ae8\" kind=\"variable\">\n+      <name>boxs_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a62e0f669df8dc1cf93e91fbc37a1bfeb\" kind=\"variable\">\n+      <name>tricl_boxs_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a2166f10d02726fd0a42f9fd59a0793be\" kind=\"variable\">\n+      <name>vol_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a8964edd4afb459c74952caa60a8238fe\" kind=\"variable\">\n+      <name>dens_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a5e65bad54eeac1c4bb741f8a043fe660\" kind=\"variable\">\n+      <name>pvEnergyFieldName</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1ab8763911144ae1e22fa0045dd683f03e\" kind=\"variable\">\n+      <name>enthalpyEnergyFieldName</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a9744bcc5a76310585dcb685242d9eff7\" kind=\"variable\">\n+      <name>virialEnergyFieldNames</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a8c0b194d50afc2be028ba4448a37e94d\" kind=\"variable\">\n+      <name>boxvel_nm</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a1ccde3afe654b06b708648ca0b291110\" kind=\"function\">\n+      <name>enumValueToString</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1a1999c5db464cb5509f0b5563578f2eb4\" kind=\"function\">\n+      <name>haveFepLambdaMoves</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1afb0d8cdbcd5b9ac184414f53a40685ad\" kind=\"function\">\n+      <name>print_lambda_vector</name>\n+    </member>\n+    <member refid=\"energyoutput_8cpp_1ac18143d613e81608c3d21acefd4cd8f0\" kind=\"function\">\n+      <name>open_dhdl</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2energyoutput_8cpp\" kind=\"file\">\n+    <name>energyoutput.cpp</name>\n+  </compound>\n   <compound refid=\"energyoutput_8h\" kind=\"file\">\n     <name>energyoutput.h</name>\n     <member refid=\"energyoutput_8h_1a394b3903fbf00ba2b6243f60689a5a5f\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"energyoutput_8h_1a394b3903fbf00ba2b6243f60689a5a5fa765fa2498c8448dc617646ed69caeff0\" kind=\"enumvalue\">\n       <name>dhbtDH</name>\n@@ -96077,14 +96092,20 @@\n     <member refid=\"sighandler_8h_1a77714e984d3331ceb727f5f223e167c7\" kind=\"function\">\n       <name>gmx_got_usr_signal</name>\n     </member>\n   </compound>\n   <compound refid=\"sim__util_8cpp\" kind=\"file\">\n     <name>sim_util.cpp</name>\n   </compound>\n+  <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n+    <name>simulationsignal.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n+    <name>simulationsignal.cpp</name>\n+  </compound>\n   <compound refid=\"simulationsignal_8h\" kind=\"file\">\n     <name>simulationsignal.h</name>\n     <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edd\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edda2b560dbe482d7ef602dcd47af059aae0\" kind=\"enumvalue\">\n       <name>eglsCHKPT</name>\n@@ -96182,65 +96203,14 @@\n     <member refid=\"constrtestrunners_8h_1ae18dc737d962baeb9ec208574ff725a9\" kind=\"define\">\n       <name>GPU_CONSTRAINTS_SUPPORTED</name>\n     </member>\n   </compound>\n   <compound refid=\"constrtestrunners__gpu_8cpp\" kind=\"file\">\n     <name>constrtestrunners_gpu.cpp</name>\n   </compound>\n-  <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n-    <name>energydrifttracker.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n-    <name>energydrifttracker.cpp</name>\n-  </compound>\n-  <compound refid=\"energyoutput_8cpp\" kind=\"file\">\n-    <name>energyoutput.cpp</name>\n-    <member refid=\"energyoutput_8cpp_1ae702283029010214686db86ebefd064f\" kind=\"variable\">\n-      <name>conrmsd_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1af9a5df1cc0f79e30cd549d9390190ae8\" kind=\"variable\">\n-      <name>boxs_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a62e0f669df8dc1cf93e91fbc37a1bfeb\" kind=\"variable\">\n-      <name>tricl_boxs_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a2166f10d02726fd0a42f9fd59a0793be\" kind=\"variable\">\n-      <name>vol_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a8964edd4afb459c74952caa60a8238fe\" kind=\"variable\">\n-      <name>dens_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a5e65bad54eeac1c4bb741f8a043fe660\" kind=\"variable\">\n-      <name>pvEnergyFieldName</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1ab8763911144ae1e22fa0045dd683f03e\" kind=\"variable\">\n-      <name>enthalpyEnergyFieldName</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a9744bcc5a76310585dcb685242d9eff7\" kind=\"variable\">\n-      <name>virialEnergyFieldNames</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a8c0b194d50afc2be028ba4448a37e94d\" kind=\"variable\">\n-      <name>boxvel_nm</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a1ccde3afe654b06b708648ca0b291110\" kind=\"function\">\n-      <name>enumValueToString</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1a1999c5db464cb5509f0b5563578f2eb4\" kind=\"function\">\n-      <name>haveFepLambdaMoves</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1afb0d8cdbcd5b9ac184414f53a40685ad\" kind=\"function\">\n-      <name>print_lambda_vector</name>\n-    </member>\n-    <member refid=\"energyoutput_8cpp_1ac18143d613e81608c3d21acefd4cd8f0\" kind=\"function\">\n-      <name>open_dhdl</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2energyoutput_8cpp\" kind=\"file\">\n-    <name>energyoutput.cpp</name>\n-  </compound>\n   <compound refid=\"langevin_8cpp\" kind=\"file\">\n     <name>langevin.cpp</name>\n   </compound>\n   <compound refid=\"langevintestdata_8cpp\" kind=\"file\">\n     <name>langevintestdata.cpp</name>\n   </compound>\n   <compound refid=\"langevintestdata_8h\" kind=\"file\">\n@@ -96293,26 +96263,14 @@\n     <member refid=\"settletestrunners_8h_1a1c3e3e64bd28ea88fa2ca78148f17e38\" kind=\"define\">\n       <name>GPU_SETTLE_SUPPORTED</name>\n     </member>\n   </compound>\n   <compound refid=\"settletestrunners__gpu_8cpp\" kind=\"file\">\n     <name>settletestrunners_gpu.cpp</name>\n   </compound>\n-  <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n-    <name>simulationsignal.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n-    <name>simulationsignal.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n-    <name>updategroups.cpp</name>\n-  </compound>\n-  <compound refid=\"updategroups_8cpp\" kind=\"file\">\n-    <name>updategroups.cpp</name>\n-  </compound>\n   <compound refid=\"watersystem_8h\" kind=\"file\">\n     <name>watersystem.h</name>\n   </compound>\n   <compound refid=\"tgroup_8cpp\" kind=\"file\">\n     <name>tgroup.cpp</name>\n     <member refid=\"tgroup_8cpp_1a929fa811913497707b0e6c26a9e5f90f\" kind=\"function\">\n       <name>sum_ekin</name>\n@@ -96524,14 +96482,20 @@\n     <member refid=\"update__vv_8h_1a0651e9a62ab3f26c47a449c665ebe23a\" kind=\"function\">\n       <name>integrateVVFirstStep</name>\n     </member>\n     <member refid=\"update__vv_8h_1a73535f458b491a6e94ea3e7fec5146ff\" kind=\"function\">\n       <name>integrateVVSecondStep</name>\n     </member>\n   </compound>\n+  <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n+    <name>updategroups.cpp</name>\n+  </compound>\n+  <compound refid=\"updategroups_8cpp\" kind=\"file\">\n+    <name>updategroups.cpp</name>\n+  </compound>\n   <compound refid=\"updategroups_8h\" kind=\"file\">\n     <name>updategroups.h</name>\n   </compound>\n   <compound refid=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n     <name>updategroupscog.cpp</name>\n   </compound>\n   <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n@@ -96959,14 +96923,20 @@\n   </compound>\n   <compound refid=\"awh__history_8h\" kind=\"file\">\n     <name>awh_history.h</name>\n   </compound>\n   <compound refid=\"awh__params_8h\" kind=\"file\">\n     <name>awh_params.h</name>\n   </compound>\n+  <compound refid=\"checkpointdata_8cpp\" kind=\"file\">\n+    <name>checkpointdata.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2checkpointdata_8cpp\" kind=\"file\">\n+    <name>checkpointdata.cpp</name>\n+  </compound>\n   <compound refid=\"checkpointdata_8h\" kind=\"file\">\n     <name>checkpointdata.h</name>\n   </compound>\n   <compound refid=\"commrec_8cpp\" kind=\"file\">\n     <name>commrec.cpp</name>\n   </compound>\n   <compound refid=\"commrec_8h\" kind=\"file\">\n@@ -97088,14 +97058,20 @@\n     <member refid=\"fcdata_8h_1ad173eebb54c6ffcba49ac271aa328702\" kind=\"typedef\">\n       <name>rvec5</name>\n     </member>\n     <member refid=\"fcdata_8h_1aa2e4c34fa2d016a33606dd6984d243a8\" kind=\"typedef\">\n       <name>t_disresdata</name>\n     </member>\n   </compound>\n+  <compound refid=\"forcebuffers_8cpp\" kind=\"file\">\n+    <name>forcebuffers.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2forcebuffers_8cpp\" kind=\"file\">\n+    <name>forcebuffers.cpp</name>\n+  </compound>\n   <compound refid=\"forcebuffers_8h\" kind=\"file\">\n     <name>forcebuffers.h</name>\n   </compound>\n   <compound refid=\"forceoutput_8h\" kind=\"file\">\n     <name>forceoutput.h</name>\n   </compound>\n   <compound refid=\"group_8cpp\" kind=\"file\">\n@@ -97541,14 +97517,20 @@\n   </compound>\n   <compound refid=\"observableshistory_8cpp\" kind=\"file\">\n     <name>observableshistory.cpp</name>\n   </compound>\n   <compound refid=\"observableshistory_8h\" kind=\"file\">\n     <name>observableshistory.h</name>\n   </compound>\n+  <compound refid=\"observablesreducer_8cpp\" kind=\"file\">\n+    <name>observablesreducer.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2observablesreducer_8cpp\" kind=\"file\">\n+    <name>observablesreducer.cpp</name>\n+  </compound>\n   <compound refid=\"observablesreducer_8h\" kind=\"file\">\n     <name>observablesreducer.h</name>\n   </compound>\n   <compound refid=\"pull__params_8h\" kind=\"file\">\n     <name>pull_params.h</name>\n   </compound>\n   <compound refid=\"pullhistory_8h\" kind=\"file\">\n@@ -97730,35 +97712,17 @@\n   </compound>\n   <compound refid=\"swaphistory_8h\" kind=\"file\">\n     <name>swaphistory.h</name>\n     <member refid=\"swaphistory_8h_1a9a3872a2803189eaef2cd341e21d7b49\" kind=\"typedef\">\n       <name>swaphistory_t</name>\n     </member>\n   </compound>\n-  <compound refid=\"checkpointdata_8cpp\" kind=\"file\">\n-    <name>checkpointdata.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2checkpointdata_8cpp\" kind=\"file\">\n-    <name>checkpointdata.cpp</name>\n-  </compound>\n   <compound refid=\"enerdata_8cpp\" kind=\"file\">\n     <name>enerdata.cpp</name>\n   </compound>\n-  <compound refid=\"forcebuffers_8cpp\" kind=\"file\">\n-    <name>forcebuffers.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2forcebuffers_8cpp\" kind=\"file\">\n-    <name>forcebuffers.cpp</name>\n-  </compound>\n-  <compound refid=\"observablesreducer_8cpp\" kind=\"file\">\n-    <name>observablesreducer.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2observablesreducer_8cpp\" kind=\"file\">\n-    <name>observablesreducer.cpp</name>\n-  </compound>\n   <compound refid=\"threaded__force__buffer_8cpp\" kind=\"file\">\n     <name>threaded_force_buffer.cpp</name>\n   </compound>\n   <compound refid=\"threaded__force__buffer_8h\" kind=\"file\">\n     <name>threaded_force_buffer.h</name>\n   </compound>\n   <compound refid=\"communicator_8cpp\" kind=\"file\">\n@@ -99140,14 +99104,20 @@\n   </compound>\n   <compound refid=\"simd__coulomb__functions_8h\" kind=\"file\">\n     <name>simd_coulomb_functions.h</name>\n   </compound>\n   <compound refid=\"simd__diagonal__masker_8h\" kind=\"file\">\n     <name>simd_diagonal_masker.h</name>\n   </compound>\n+  <compound refid=\"simd__energy__accumulator_8cpp\" kind=\"file\">\n+    <name>simd_energy_accumulator.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2simd__energy__accumulator_8cpp\" kind=\"file\">\n+    <name>simd_energy_accumulator.cpp</name>\n+  </compound>\n   <compound refid=\"simd__energy__accumulator_8h\" kind=\"file\">\n     <name>simd_energy_accumulator.h</name>\n   </compound>\n   <compound refid=\"simd__kernel_8h\" kind=\"file\">\n     <name>simd_kernel.h</name>\n   </compound>\n   <compound refid=\"simd__kernel__inner_8h\" kind=\"file\">\n@@ -99233,20 +99203,14 @@\n   </compound>\n   <compound refid=\"kernel__test_8cpp\" kind=\"file\">\n     <name>kernel_test.cpp</name>\n   </compound>\n   <compound refid=\"kernelsetup_8cpp\" kind=\"file\">\n     <name>kernelsetup.cpp</name>\n   </compound>\n-  <compound refid=\"simd__energy__accumulator_8cpp\" kind=\"file\">\n-    <name>simd_energy_accumulator.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2simd__energy__accumulator_8cpp\" kind=\"file\">\n-    <name>simd_energy_accumulator.cpp</name>\n-  </compound>\n   <compound refid=\"spc81__coords_8h\" kind=\"file\">\n     <name>spc81_coords.h</name>\n     <member refid=\"spc81__coords_8h_1aa7082491da8d1c18955560254fecd944\" kind=\"variable\">\n       <name>spc81Box</name>\n     </member>\n     <member refid=\"spc81__coords_8h_1af7e353acbc1bd24d0838c630396297b0\" kind=\"variable\">\n       <name>spc81Coordinates</name>\n@@ -99278,32 +99242,32 @@\n   </compound>\n   <compound refid=\"helptopic_8cpp\" kind=\"file\">\n     <name>helptopic.cpp</name>\n   </compound>\n   <compound refid=\"helptopic_8h\" kind=\"file\">\n     <name>helptopic.h</name>\n   </compound>\n+  <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n+    <name>helpwritercontext.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n+    <name>helpwritercontext.cpp</name>\n+  </compound>\n   <compound refid=\"helpwritercontext_8h\" kind=\"file\">\n     <name>helpwritercontext.h</name>\n   </compound>\n   <compound refid=\"ihelptopic_8h\" kind=\"file\">\n     <name>ihelptopic.h</name>\n   </compound>\n   <compound refid=\"rstparser_8cpp\" kind=\"file\">\n     <name>rstparser.cpp</name>\n   </compound>\n   <compound refid=\"rstparser_8h\" kind=\"file\">\n     <name>rstparser.h</name>\n   </compound>\n-  <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n-  </compound>\n   <compound refid=\"mock__helptopic_8cpp\" kind=\"file\">\n     <name>mock_helptopic.cpp</name>\n   </compound>\n   <compound refid=\"mock__helptopic_8h\" kind=\"file\">\n     <name>mock_helptopic.h</name>\n   </compound>\n   <compound refid=\"onlinehelp__doc_8h\" kind=\"file\">\n@@ -99356,14 +99320,20 @@\n   </compound>\n   <compound refid=\"options_8cpp\" kind=\"file\">\n     <name>options.cpp</name>\n   </compound>\n   <compound refid=\"options__impl_8h\" kind=\"file\">\n     <name>options_impl.h</name>\n   </compound>\n+  <compound refid=\"optionsassigner_8cpp\" kind=\"file\">\n+    <name>optionsassigner.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2optionsassigner_8cpp\" kind=\"file\">\n+    <name>optionsassigner.cpp</name>\n+  </compound>\n   <compound refid=\"optionsassigner_8h\" kind=\"file\">\n     <name>optionsassigner.h</name>\n   </compound>\n   <compound refid=\"optionsection_8cpp\" kind=\"file\">\n     <name>optionsection.cpp</name>\n   </compound>\n   <compound refid=\"optionsection_8h\" kind=\"file\">\n@@ -99383,20 +99353,14 @@\n   </compound>\n   <compound refid=\"abstractoptionstorage_8cpp\" kind=\"file\">\n     <name>abstractoptionstorage.cpp</name>\n   </compound>\n   <compound refid=\"option_8cpp\" kind=\"file\">\n     <name>option.cpp</name>\n   </compound>\n-  <compound refid=\"optionsassigner_8cpp\" kind=\"file\">\n-    <name>optionsassigner.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2optionsassigner_8cpp\" kind=\"file\">\n-    <name>optionsassigner.cpp</name>\n-  </compound>\n   <compound refid=\"repeatingsection_8cpp\" kind=\"file\">\n     <name>repeatingsection.cpp</name>\n   </compound>\n   <compound refid=\"tests_2timeunitmanager_8cpp\" kind=\"file\">\n     <name>timeunitmanager.cpp</name>\n   </compound>\n   <compound refid=\"timeunitmanager_8cpp\" kind=\"file\">\n@@ -99419,14 +99383,20 @@\n   </compound>\n   <compound refid=\"boxutilities_8cpp\" kind=\"file\">\n     <name>boxutilities.cpp</name>\n     <member refid=\"boxutilities_8cpp_1a1233fc19cc84f3041325bf9e03f477c8\" kind=\"function\">\n       <name>do_box_rel</name>\n     </member>\n   </compound>\n+  <compound refid=\"com_8cpp\" kind=\"file\">\n+    <name>com.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2com_8cpp\" kind=\"file\">\n+    <name>com.cpp</name>\n+  </compound>\n   <compound refid=\"boxutilities_8h\" kind=\"file\">\n     <name>boxutilities.h</name>\n     <member refid=\"boxutilities_8h_1a1233fc19cc84f3041325bf9e03f477c8\" kind=\"function\">\n       <name>do_box_rel</name>\n     </member>\n   </compound>\n   <compound refid=\"com_8h\" kind=\"file\">\n@@ -99848,20 +99818,14 @@\n     <member refid=\"rmpbc_8cpp_1aea3141b86177903310331352c7d8610c\" kind=\"function\">\n       <name>gmx_rmpbc_trxfr</name>\n     </member>\n     <member refid=\"rmpbc_8cpp_1a4e2e91b8082ca3ff1f0e855c1117fd03\" kind=\"function\">\n       <name>rm_gropbc</name>\n     </member>\n   </compound>\n-  <compound refid=\"com_8cpp\" kind=\"file\">\n-    <name>com.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2com_8cpp\" kind=\"file\">\n-    <name>com.cpp</name>\n-  </compound>\n   <compound refid=\"pull_8h\" kind=\"file\">\n     <name>pull.h</name>\n     <member refid=\"pull_8h_1a98f772136c45528b8d405dd8e13d00b0\" kind=\"variable\">\n       <name>c_pullGroupPbcMargin</name>\n     </member>\n     <member refid=\"pull_8h_1ae5981861a54303677a7841cb8146ad1b\" kind=\"variable\">\n       <name>c_pullGroupSmallGroupThreshold</name>\n@@ -101375,23 +101339,35 @@\n     <member refid=\"scanner__internal_8h_1ae5ad160c8c9a772b9dc6522882fe84a7\" kind=\"function\">\n       <name>_gmx_sel_lexer_add_token</name>\n     </member>\n   </compound>\n   <compound refid=\"selection_8cpp\" kind=\"file\">\n     <name>selection.cpp</name>\n   </compound>\n+  <compound refid=\"selectioncollection_8cpp\" kind=\"file\">\n+    <name>selectioncollection.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2selectioncollection_8cpp\" kind=\"file\">\n+    <name>selectioncollection.cpp</name>\n+  </compound>\n   <compound refid=\"selectioncollection__impl_8h\" kind=\"file\">\n     <name>selectioncollection_impl.h</name>\n   </compound>\n   <compound refid=\"selectionfileoption_8h\" kind=\"file\">\n     <name>selectionfileoption.h</name>\n   </compound>\n   <compound refid=\"selectionfileoptionstorage_8h\" kind=\"file\">\n     <name>selectionfileoptionstorage.h</name>\n   </compound>\n+  <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n+    <name>selectionoption.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n+    <name>selectionoption.cpp</name>\n+  </compound>\n   <compound refid=\"selectionoptionbehavior_8cpp\" kind=\"file\">\n     <name>selectionoptionbehavior.cpp</name>\n   </compound>\n   <compound refid=\"selectionoptionmanager_8cpp\" kind=\"file\">\n     <name>selectionoptionmanager.cpp</name>\n   </compound>\n   <compound refid=\"selectionoptionstorage_8h\" kind=\"file\">\n@@ -102485,26 +102461,14 @@\n   </compound>\n   <compound refid=\"symrec_8cpp\" kind=\"file\">\n     <name>symrec.cpp</name>\n   </compound>\n   <compound refid=\"symrec_8h\" kind=\"file\">\n     <name>symrec.h</name>\n   </compound>\n-  <compound refid=\"selectioncollection_8cpp\" kind=\"file\">\n-    <name>selectioncollection.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2selectioncollection_8cpp\" kind=\"file\">\n-    <name>selectioncollection.cpp</name>\n-  </compound>\n-  <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n-    <name>selectionoption.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n-    <name>selectionoption.cpp</name>\n-  </compound>\n   <compound refid=\"toputils_8cpp\" kind=\"file\">\n     <name>toputils.cpp</name>\n   </compound>\n   <compound refid=\"toputils_8h\" kind=\"file\">\n     <name>toputils.h</name>\n   </compound>\n   <compound refid=\"hsimd__declarations_8h\" kind=\"file\">\n@@ -102665,50 +102629,14 @@\n   </compound>\n   <compound refid=\"scalar__math_8h\" kind=\"file\">\n     <name>scalar_math.h</name>\n   </compound>\n   <compound refid=\"scalar__util_8h\" kind=\"file\">\n     <name>scalar_util.h</name>\n   </compound>\n-  <compound refid=\"simd__math_8h\" kind=\"file\">\n-    <name>simd_math.h</name>\n-  </compound>\n-  <compound refid=\"simd__memory_8h\" kind=\"file\">\n-    <name>simd_memory.h</name>\n-  </compound>\n-  <compound refid=\"vector__operations_8h\" kind=\"file\">\n-    <name>vector_operations.h</name>\n-  </compound>\n-  <compound refid=\"base_8cpp\" kind=\"file\">\n-    <name>base.cpp</name>\n-  </compound>\n-  <compound refid=\"base_8h\" kind=\"file\">\n-    <name>base.h</name>\n-    <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n-      <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n-    <name>bootstrap_loadstore.cpp</name>\n-  </compound>\n-  <compound refid=\"data_8h\" kind=\"file\">\n-    <name>data.h</name>\n-  </compound>\n-  <compound refid=\"scalar_8cpp\" kind=\"file\">\n-    <name>scalar.cpp</name>\n-  </compound>\n-  <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n-    <name>scalar_math.cpp</name>\n-  </compound>\n-  <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n-    <name>scalar_util.cpp</name>\n-  </compound>\n-  <compound refid=\"simd_8cpp\" kind=\"file\">\n-    <name>simd.cpp</name>\n-  </compound>\n   <compound refid=\"include_2gromacs_2simd_2simd_8h\" kind=\"file\">\n     <name>simd.h</name>\n     <member refid=\"group__module__simd_1ga1578fccdb327f36a2bea338457cbf883\" kind=\"define\">\n       <name>GMX_SIMD_HAVE_REAL</name>\n     </member>\n     <member refid=\"group__module__simd_1ga586ccc19c21a1d5e9c97e15b70822fba\" kind=\"define\">\n       <name>GMX_SIMD_REAL_WIDTH</name>\n@@ -102749,14 +102677,50 @@\n     <member refid=\"include_2gromacs_2simd_2simd_8h_1a189844f1c8b104833734513c2ae480a9\" kind=\"define\">\n       <name>GMX_SIMD4N_REAL_WIDTH</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2simd_8h\" kind=\"file\">\n     <name>simd.h</name>\n   </compound>\n+  <compound refid=\"simd__math_8h\" kind=\"file\">\n+    <name>simd_math.h</name>\n+  </compound>\n+  <compound refid=\"simd__memory_8h\" kind=\"file\">\n+    <name>simd_memory.h</name>\n+  </compound>\n+  <compound refid=\"vector__operations_8h\" kind=\"file\">\n+    <name>vector_operations.h</name>\n+  </compound>\n+  <compound refid=\"base_8cpp\" kind=\"file\">\n+    <name>base.cpp</name>\n+  </compound>\n+  <compound refid=\"base_8h\" kind=\"file\">\n+    <name>base.h</name>\n+    <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n+      <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n+    <name>bootstrap_loadstore.cpp</name>\n+  </compound>\n+  <compound refid=\"data_8h\" kind=\"file\">\n+    <name>data.h</name>\n+  </compound>\n+  <compound refid=\"scalar_8cpp\" kind=\"file\">\n+    <name>scalar.cpp</name>\n+  </compound>\n+  <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n+    <name>scalar_math.cpp</name>\n+  </compound>\n+  <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n+    <name>scalar_util.cpp</name>\n+  </compound>\n+  <compound refid=\"simd_8cpp\" kind=\"file\">\n+    <name>simd.cpp</name>\n+  </compound>\n   <compound refid=\"simd4_8cpp\" kind=\"file\">\n     <name>simd4.cpp</name>\n   </compound>\n   <compound refid=\"simd4_8h\" kind=\"file\">\n     <name>simd4.h</name>\n   </compound>\n   <compound refid=\"simd4__floatingpoint_8cpp\" kind=\"file\">\n@@ -104243,32 +104207,32 @@\n   </compound>\n   <compound refid=\"pme__error_8h\" kind=\"file\">\n     <name>pme_error.h</name>\n     <member refid=\"pme__error_8h_1a42920a62354c32b1fb15a43415ae13c1\" kind=\"function\">\n       <name>gmx_pme_error</name>\n     </member>\n   </compound>\n-  <compound refid=\"report__methods_8cpp\" kind=\"file\">\n-    <name>report_methods.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n-    <name>report_methods.cpp</name>\n-  </compound>\n   <compound refid=\"report__methods_8h\" kind=\"file\">\n     <name>report_methods.h</name>\n   </compound>\n   <compound refid=\"convert-tpr-fixture_8h\" kind=\"file\">\n     <name>convert-tpr-fixture.h</name>\n   </compound>\n   <compound refid=\"convert-tpr-with-leaks_8cpp\" kind=\"file\">\n     <name>convert-tpr-with-leaks.cpp</name>\n   </compound>\n   <compound refid=\"convert-tpr_8cpp\" kind=\"file\">\n     <name>convert-tpr.cpp</name>\n   </compound>\n+  <compound refid=\"report__methods_8cpp\" kind=\"file\">\n+    <name>report_methods.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n+    <name>report_methods.cpp</name>\n+  </compound>\n   <compound refid=\"trjcat_8cpp\" kind=\"file\">\n     <name>trjcat.cpp</name>\n     <member refid=\"trjcat_8cpp_1a7f53bfa6bc1bc9e1f0669290d03dc823\" kind=\"define\">\n       <name>TIME_EXPLICIT</name>\n     </member>\n     <member refid=\"trjcat_8cpp_1af23ab04b746a0b7cf50a63d4306f956f\" kind=\"define\">\n       <name>TIME_CONTINUE</name>\n@@ -104564,14 +104528,104 @@\n     <member refid=\"atomprop_8cpp_1a98adebc1f31dc5c54e960bb506a67960\" kind=\"function\">\n       <name>printWarning</name>\n     </member>\n     <member refid=\"atomprop_8cpp_1a8dc03f52fe7faa07eb762bb30fc1f7ab\" kind=\"function\">\n       <name>printvdwWarning</name>\n     </member>\n   </compound>\n+  <compound refid=\"atoms_8cpp\" kind=\"file\">\n+    <name>atoms.cpp</name>\n+    <member refid=\"atoms_8cpp_1a4683ddef9ca07453dbb6788cd3b8cc10\" kind=\"function\">\n+      <name>enumValueToString</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a45e317fdc10e918e3ae81b7760df5eac\" kind=\"function\">\n+      <name>init_atom</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1ad8e7620f2d8e2ffd5b9e28a5baa03528\" kind=\"function\">\n+      <name>done_atom</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a50b96a544daedd437b795c373c5ab4a5\" kind=\"function\">\n+      <name>done_and_delete_atoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a04e594b2f8f9b5172468b5a8ec4e1651\" kind=\"function\">\n+      <name>add_t_atoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a53cbf4221917816cd7628662efcc9243\" kind=\"function\">\n+      <name>init_t_atoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a170f5b1a73b7d2351454dc78d872dc4d\" kind=\"function\">\n+      <name>gmx_pdbinfo_init_default</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a33af6f505ee2e0a895e888afb8035062\" kind=\"function\">\n+      <name>copy_t_atoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a116580117b48c16f896c4b93fd51e137\" kind=\"function\">\n+      <name>t_atoms_set_resinfo</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a9bfb044402619f7d1840b3089c93ed9f\" kind=\"function\">\n+      <name>pr_atom</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a2e6424fe053537314ba1bf126adf75ce\" kind=\"function\">\n+      <name>pr_strings2</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1aa73f7ba81f2d102a7930a8fcbb1bee02\" kind=\"function\">\n+      <name>pr_resinfo</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a5f09470bbb8ec525be90bfd951569219\" kind=\"function\">\n+      <name>pr_atoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a3213859c25d60afb33cd58f565b83634\" kind=\"function\">\n+      <name>compareAtom</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a292907c8988a3f21e8ea3e9db08f93fe\" kind=\"function\">\n+      <name>compareResinfo</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a7889db57d3728c6e1fa6b63789f61240\" kind=\"function\">\n+      <name>comparePdbinfo</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a3f72e0af135e3dcf4bb5e1a1811177a4\" kind=\"function\">\n+      <name>compareAtoms</name>\n+    </member>\n+    <member refid=\"atoms_8cpp_1a30b46098b87cc9acc199408e7367959f\" kind=\"function\">\n+      <name>atomsSetMassesBasedOnNames</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2atoms_8cpp\" kind=\"file\">\n+    <name>atoms.cpp</name>\n+    <member refid=\"tests_2atoms_8cpp_1a6bee599ce9c0874fb5eb1a27deb95bde\" kind=\"typedef\">\n+      <name>SimulationParticleTestParameters</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1a148cc28e060ef3637b69ab6ac61a3b7f\" kind=\"variable\">\n+      <name>testParticleMassOneState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1ab70c94a78383731636815d207186c987\" kind=\"variable\">\n+      <name>testParticleMassTwoState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1a1d95d44c0bc5e755aef7f25e8dbbce93\" kind=\"variable\">\n+      <name>testParticleChargeOneState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1a1d48865e2903e05f3a0ecf1ddd63fc79\" kind=\"variable\">\n+      <name>testParticleChargeTwoState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1afd7b081426ef6c0dc23a8cc5288e6898\" kind=\"variable\">\n+      <name>testParticleTypeValueOneState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1a670191bdca72444579f4df0f0797dd4b\" kind=\"variable\">\n+      <name>testParticleTypeValueTwoState</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1a0f5c32c6d9fd4fd74d4795ab038958d6\" kind=\"function\">\n+      <name>checkParticleValue</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1ac984d6f1dbcb60c6fa842bd8c4a55658\" kind=\"function\">\n+      <name>checkParticleMiscInfo</name>\n+    </member>\n+    <member refid=\"tests_2atoms_8cpp_1ad9e44707c02fd6a04cd8e16bfeeffeae\" kind=\"function\">\n+      <name>checkParticle</name>\n+    </member>\n+  </compound>\n   <compound refid=\"atomsbuilder_8cpp\" kind=\"file\">\n     <name>atomsbuilder.cpp</name>\n   </compound>\n   <compound refid=\"block_8cpp\" kind=\"file\">\n     <name>block.cpp</name>\n     <member refid=\"block_8cpp_1a2034af172a6b4c89aa4c0115e247d5a9\" kind=\"function\">\n       <name>init_block</name>\n@@ -105110,104 +105164,14 @@\n     <member refid=\"symtab_8cpp_1ab145748767232adc88bc7ec9435cc5be\" kind=\"function\">\n       <name>pr_symtab</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2symtab_8cpp\" kind=\"file\">\n     <name>symtab.cpp</name>\n   </compound>\n-  <compound refid=\"atoms_8cpp\" kind=\"file\">\n-    <name>atoms.cpp</name>\n-    <member refid=\"atoms_8cpp_1a4683ddef9ca07453dbb6788cd3b8cc10\" kind=\"function\">\n-      <name>enumValueToString</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a45e317fdc10e918e3ae81b7760df5eac\" kind=\"function\">\n-      <name>init_atom</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1ad8e7620f2d8e2ffd5b9e28a5baa03528\" kind=\"function\">\n-      <name>done_atom</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a50b96a544daedd437b795c373c5ab4a5\" kind=\"function\">\n-      <name>done_and_delete_atoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a04e594b2f8f9b5172468b5a8ec4e1651\" kind=\"function\">\n-      <name>add_t_atoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a53cbf4221917816cd7628662efcc9243\" kind=\"function\">\n-      <name>init_t_atoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a170f5b1a73b7d2351454dc78d872dc4d\" kind=\"function\">\n-      <name>gmx_pdbinfo_init_default</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a33af6f505ee2e0a895e888afb8035062\" kind=\"function\">\n-      <name>copy_t_atoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a116580117b48c16f896c4b93fd51e137\" kind=\"function\">\n-      <name>t_atoms_set_resinfo</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a9bfb044402619f7d1840b3089c93ed9f\" kind=\"function\">\n-      <name>pr_atom</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a2e6424fe053537314ba1bf126adf75ce\" kind=\"function\">\n-      <name>pr_strings2</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1aa73f7ba81f2d102a7930a8fcbb1bee02\" kind=\"function\">\n-      <name>pr_resinfo</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a5f09470bbb8ec525be90bfd951569219\" kind=\"function\">\n-      <name>pr_atoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a3213859c25d60afb33cd58f565b83634\" kind=\"function\">\n-      <name>compareAtom</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a292907c8988a3f21e8ea3e9db08f93fe\" kind=\"function\">\n-      <name>compareResinfo</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a7889db57d3728c6e1fa6b63789f61240\" kind=\"function\">\n-      <name>comparePdbinfo</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a3f72e0af135e3dcf4bb5e1a1811177a4\" kind=\"function\">\n-      <name>compareAtoms</name>\n-    </member>\n-    <member refid=\"atoms_8cpp_1a30b46098b87cc9acc199408e7367959f\" kind=\"function\">\n-      <name>atomsSetMassesBasedOnNames</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2atoms_8cpp\" kind=\"file\">\n-    <name>atoms.cpp</name>\n-    <member refid=\"tests_2atoms_8cpp_1a6bee599ce9c0874fb5eb1a27deb95bde\" kind=\"typedef\">\n-      <name>SimulationParticleTestParameters</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1a148cc28e060ef3637b69ab6ac61a3b7f\" kind=\"variable\">\n-      <name>testParticleMassOneState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1ab70c94a78383731636815d207186c987\" kind=\"variable\">\n-      <name>testParticleMassTwoState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1a1d95d44c0bc5e755aef7f25e8dbbce93\" kind=\"variable\">\n-      <name>testParticleChargeOneState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1a1d48865e2903e05f3a0ecf1ddd63fc79\" kind=\"variable\">\n-      <name>testParticleChargeTwoState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1afd7b081426ef6c0dc23a8cc5288e6898\" kind=\"variable\">\n-      <name>testParticleTypeValueOneState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1a670191bdca72444579f4df0f0797dd4b\" kind=\"variable\">\n-      <name>testParticleTypeValueTwoState</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1a0f5c32c6d9fd4fd74d4795ab038958d6\" kind=\"function\">\n-      <name>checkParticleValue</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1ac984d6f1dbcb60c6fa842bd8c4a55658\" kind=\"function\">\n-      <name>checkParticleMiscInfo</name>\n-    </member>\n-    <member refid=\"tests_2atoms_8cpp_1ad9e44707c02fd6a04cd8e16bfeeffeae\" kind=\"function\">\n-      <name>checkParticle</name>\n-    </member>\n-  </compound>\n   <compound refid=\"mtop_8cpp\" kind=\"file\">\n     <name>mtop.cpp</name>\n   </compound>\n   <compound refid=\"topology_8cpp\" kind=\"file\">\n     <name>topology.cpp</name>\n     <member refid=\"topology_8cpp_1adbbbc6066966865e09b44a0a55027dc6\" kind=\"function\">\n       <name>shortName</name>\n@@ -105353,197 +105317,170 @@\n   </compound>\n   <compound refid=\"modules_8cpp\" kind=\"file\">\n     <name>modules.cpp</name>\n   </compound>\n   <compound refid=\"modules_8h\" kind=\"file\">\n     <name>modules.h</name>\n   </compound>\n-  <compound refid=\"angle_8h\" kind=\"file\">\n-    <name>angle.h</name>\n-  </compound>\n-  <compound refid=\"convert__trj_8h\" kind=\"file\">\n-    <name>convert_trj.h</name>\n-  </compound>\n-  <compound refid=\"distance_8h\" kind=\"file\">\n-    <name>distance.h</name>\n-  </compound>\n-  <compound refid=\"dssp_8h\" kind=\"file\">\n-    <name>dssp.h</name>\n-  </compound>\n-  <compound refid=\"extract__cluster_8h\" kind=\"file\">\n-    <name>extract_cluster.h</name>\n-  </compound>\n-  <compound refid=\"freevolume_8h\" kind=\"file\">\n-    <name>freevolume.h</name>\n-  </compound>\n-  <compound refid=\"gyrate_8h\" kind=\"file\">\n-    <name>gyrate.h</name>\n-  </compound>\n-  <compound refid=\"hbond_8h\" kind=\"file\">\n-    <name>hbond.h</name>\n-  </compound>\n-  <compound refid=\"isotope_8cpp\" kind=\"file\">\n-    <name>isotope.cpp</name>\n-  </compound>\n-  <compound refid=\"isotope_8h\" kind=\"file\">\n-    <name>isotope.h</name>\n-  </compound>\n-  <compound refid=\"msd_8h\" kind=\"file\">\n-    <name>msd.h</name>\n-  </compound>\n-  <compound refid=\"pairdist_8h\" kind=\"file\">\n-    <name>pairdist.h</name>\n-  </compound>\n-  <compound refid=\"rdf_8h\" kind=\"file\">\n-    <name>rdf.h</name>\n-  </compound>\n-  <compound refid=\"sasa_8h\" kind=\"file\">\n-    <name>sasa.h</name>\n-  </compound>\n-  <compound refid=\"scattering-debye-sans_8cpp\" kind=\"file\">\n-    <name>scattering-debye-sans.cpp</name>\n-  </compound>\n-  <compound refid=\"scattering-debye-sans_8h\" kind=\"file\">\n-    <name>scattering-debye-sans.h</name>\n-  </compound>\n-  <compound refid=\"scattering-debye-saxs_8cpp\" kind=\"file\">\n-    <name>scattering-debye-saxs.cpp</name>\n-  </compound>\n-  <compound refid=\"scattering-debye-saxs_8h\" kind=\"file\">\n-    <name>scattering-debye-saxs.h</name>\n-  </compound>\n-  <compound refid=\"scattering-debye_8cpp\" kind=\"file\">\n-    <name>scattering-debye.cpp</name>\n-  </compound>\n-  <compound refid=\"scattering-debye_8h\" kind=\"file\">\n-    <name>scattering-debye.h</name>\n-  </compound>\n-  <compound refid=\"scattering_8h\" kind=\"file\">\n-    <name>scattering.h</name>\n-  </compound>\n-  <compound refid=\"scatteringfactors_8cpp\" kind=\"file\">\n-    <name>scatteringfactors.cpp</name>\n-  </compound>\n-  <compound refid=\"scatteringfactors_8h\" kind=\"file\">\n-    <name>scatteringfactors.h</name>\n-  </compound>\n-  <compound refid=\"select_8h\" kind=\"file\">\n-    <name>select.h</name>\n-  </compound>\n-  <compound refid=\"surfacearea_8h\" kind=\"file\">\n-    <name>surfacearea.h</name>\n-    <member refid=\"surfacearea_8h_1a3a0e7e8088575a845477981c6dbc81f0\" kind=\"define\">\n-      <name>FLAG_DOTS</name>\n-    </member>\n-    <member refid=\"surfacearea_8h_1aebb716976b6554f9d8b2d988d6560a15\" kind=\"define\">\n-      <name>FLAG_VOLUME</name>\n-    </member>\n-    <member refid=\"surfacearea_8h_1a7cfe4ebd0cd9c58263d078186a3c9f22\" kind=\"define\">\n-      <name>FLAG_ATOM_AREA</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"trajectory_8h\" kind=\"file\">\n-    <name>trajectory.h</name>\n-  </compound>\n-  <compound refid=\"unionfind_8h\" kind=\"file\">\n-    <name>unionfind.h</name>\n-  </compound>\n-  <compound refid=\"runnercommon_8cpp\" kind=\"file\">\n-    <name>runnercommon.cpp</name>\n-  </compound>\n-  <compound refid=\"runnercommon_8h\" kind=\"file\">\n-    <name>runnercommon.h</name>\n-  </compound>\n   <compound refid=\"modules_2angle_8cpp\" kind=\"file\">\n     <name>angle.cpp</name>\n   </compound>\n   <compound refid=\"tests_2angle_8cpp\" kind=\"file\">\n     <name>angle.cpp</name>\n   </compound>\n-  <compound refid=\"clustsize_8cpp\" kind=\"file\">\n-    <name>clustsize.cpp</name>\n+  <compound refid=\"angle_8h\" kind=\"file\">\n+    <name>angle.h</name>\n   </compound>\n   <compound refid=\"modules_2convert__trj_8cpp\" kind=\"file\">\n     <name>convert_trj.cpp</name>\n   </compound>\n   <compound refid=\"tests_2convert__trj_8cpp\" kind=\"file\">\n     <name>convert_trj.cpp</name>\n   </compound>\n+  <compound refid=\"convert__trj_8h\" kind=\"file\">\n+    <name>convert_trj.h</name>\n+  </compound>\n   <compound refid=\"modules_2distance_8cpp\" kind=\"file\">\n     <name>distance.cpp</name>\n   </compound>\n   <compound refid=\"tests_2distance_8cpp\" kind=\"file\">\n     <name>distance.cpp</name>\n   </compound>\n+  <compound refid=\"distance_8h\" kind=\"file\">\n+    <name>distance.h</name>\n+  </compound>\n   <compound refid=\"modules_2dssp_8cpp\" kind=\"file\">\n     <name>dssp.cpp</name>\n   </compound>\n   <compound refid=\"tests_2dssp_8cpp\" kind=\"file\">\n     <name>dssp.cpp</name>\n   </compound>\n+  <compound refid=\"dssp_8h\" kind=\"file\">\n+    <name>dssp.h</name>\n+  </compound>\n   <compound refid=\"modules_2extract__cluster_8cpp\" kind=\"file\">\n     <name>extract_cluster.cpp</name>\n   </compound>\n   <compound refid=\"tests_2extract__cluster_8cpp\" kind=\"file\">\n     <name>extract_cluster.cpp</name>\n   </compound>\n+  <compound refid=\"extract__cluster_8h\" kind=\"file\">\n+    <name>extract_cluster.h</name>\n+  </compound>\n   <compound refid=\"modules_2freevolume_8cpp\" kind=\"file\">\n     <name>freevolume.cpp</name>\n   </compound>\n   <compound refid=\"tests_2freevolume_8cpp\" kind=\"file\">\n     <name>freevolume.cpp</name>\n   </compound>\n+  <compound refid=\"freevolume_8h\" kind=\"file\">\n+    <name>freevolume.h</name>\n+  </compound>\n   <compound refid=\"modules_2gyrate_8cpp\" kind=\"file\">\n     <name>gyrate.cpp</name>\n   </compound>\n   <compound refid=\"tests_2gyrate_8cpp\" kind=\"file\">\n     <name>gyrate.cpp</name>\n   </compound>\n+  <compound refid=\"gyrate_8h\" kind=\"file\">\n+    <name>gyrate.h</name>\n+  </compound>\n   <compound refid=\"modules_2hbond_8cpp\" kind=\"file\">\n     <name>hbond.cpp</name>\n   </compound>\n   <compound refid=\"tests_2hbond_8cpp\" kind=\"file\">\n     <name>hbond.cpp</name>\n   </compound>\n+  <compound refid=\"hbond_8h\" kind=\"file\">\n+    <name>hbond.h</name>\n+  </compound>\n+  <compound refid=\"isotope_8cpp\" kind=\"file\">\n+    <name>isotope.cpp</name>\n+  </compound>\n+  <compound refid=\"isotope_8h\" kind=\"file\">\n+    <name>isotope.h</name>\n+  </compound>\n   <compound refid=\"modules_2msd_8cpp\" kind=\"file\">\n     <name>msd.cpp</name>\n   </compound>\n   <compound refid=\"tests_2msd_8cpp\" kind=\"file\">\n     <name>msd.cpp</name>\n   </compound>\n+  <compound refid=\"msd_8h\" kind=\"file\">\n+    <name>msd.h</name>\n+  </compound>\n   <compound refid=\"modules_2pairdist_8cpp\" kind=\"file\">\n     <name>pairdist.cpp</name>\n   </compound>\n   <compound refid=\"tests_2pairdist_8cpp\" kind=\"file\">\n     <name>pairdist.cpp</name>\n   </compound>\n+  <compound refid=\"pairdist_8h\" kind=\"file\">\n+    <name>pairdist.h</name>\n+  </compound>\n   <compound refid=\"modules_2rdf_8cpp\" kind=\"file\">\n     <name>rdf.cpp</name>\n   </compound>\n   <compound refid=\"tests_2rdf_8cpp\" kind=\"file\">\n     <name>rdf.cpp</name>\n   </compound>\n+  <compound refid=\"rdf_8h\" kind=\"file\">\n+    <name>rdf.h</name>\n+  </compound>\n   <compound refid=\"modules_2sasa_8cpp\" kind=\"file\">\n     <name>sasa.cpp</name>\n   </compound>\n   <compound refid=\"tests_2sasa_8cpp\" kind=\"file\">\n     <name>sasa.cpp</name>\n   </compound>\n+  <compound refid=\"sasa_8h\" kind=\"file\">\n+    <name>sasa.h</name>\n+  </compound>\n+  <compound refid=\"scattering-debye-sans_8cpp\" kind=\"file\">\n+    <name>scattering-debye-sans.cpp</name>\n+  </compound>\n+  <compound refid=\"scattering-debye-sans_8h\" kind=\"file\">\n+    <name>scattering-debye-sans.h</name>\n+  </compound>\n+  <compound refid=\"scattering-debye-saxs_8cpp\" kind=\"file\">\n+    <name>scattering-debye-saxs.cpp</name>\n+  </compound>\n+  <compound refid=\"scattering-debye-saxs_8h\" kind=\"file\">\n+    <name>scattering-debye-saxs.h</name>\n+  </compound>\n+  <compound refid=\"scattering-debye_8cpp\" kind=\"file\">\n+    <name>scattering-debye.cpp</name>\n+  </compound>\n+  <compound refid=\"scattering-debye_8h\" kind=\"file\">\n+    <name>scattering-debye.h</name>\n+  </compound>\n   <compound refid=\"modules_2scattering_8cpp\" kind=\"file\">\n     <name>scattering.cpp</name>\n   </compound>\n   <compound refid=\"tests_2scattering_8cpp\" kind=\"file\">\n     <name>scattering.cpp</name>\n   </compound>\n+  <compound refid=\"scattering_8h\" kind=\"file\">\n+    <name>scattering.h</name>\n+  </compound>\n+  <compound refid=\"scatteringfactors_8cpp\" kind=\"file\">\n+    <name>scatteringfactors.cpp</name>\n+  </compound>\n+  <compound refid=\"scatteringfactors_8h\" kind=\"file\">\n+    <name>scatteringfactors.h</name>\n+  </compound>\n   <compound refid=\"modules_2select_8cpp\" kind=\"file\">\n     <name>select.cpp</name>\n   </compound>\n   <compound refid=\"tests_2select_8cpp\" kind=\"file\">\n     <name>select.cpp</name>\n   </compound>\n+  <compound refid=\"select_8h\" kind=\"file\">\n+    <name>select.h</name>\n+  </compound>\n   <compound refid=\"modules_2surfacearea_8cpp\" kind=\"file\">\n     <name>surfacearea.cpp</name>\n     <member refid=\"modules_2surfacearea_8cpp_1aa7bb22f8518b78f95595589b0c93e7e9\" kind=\"define\">\n       <name>UNSP_ICO_DOD</name>\n     </member>\n     <member refid=\"modules_2surfacearea_8cpp_1a83c02b844032ef31fa33734ef2863cf1\" kind=\"define\">\n       <name>UNSP_ICO_ARC</name>\n@@ -105581,34 +105518,103 @@\n     <member refid=\"modules_2surfacearea_8cpp_1aad4293a54b7228501349dd503558a918\" kind=\"function\">\n       <name>nsc_dclm_pbc</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2surfacearea_8cpp\" kind=\"file\">\n     <name>surfacearea.cpp</name>\n   </compound>\n+  <compound refid=\"surfacearea_8h\" kind=\"file\">\n+    <name>surfacearea.h</name>\n+    <member refid=\"surfacearea_8h_1a3a0e7e8088575a845477981c6dbc81f0\" kind=\"define\">\n+      <name>FLAG_DOTS</name>\n+    </member>\n+    <member refid=\"surfacearea_8h_1aebb716976b6554f9d8b2d988d6560a15\" kind=\"define\">\n+      <name>FLAG_VOLUME</name>\n+    </member>\n+    <member refid=\"surfacearea_8h_1a7cfe4ebd0cd9c58263d078186a3c9f22\" kind=\"define\">\n+      <name>FLAG_ATOM_AREA</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"modules_2trajectory_8cpp\" kind=\"file\">\n+    <name>trajectory.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2trajectory_8cpp\" kind=\"file\">\n+    <name>trajectory.cpp</name>\n+  </compound>\n+  <compound refid=\"trajectory_8h\" kind=\"file\">\n+    <name>trajectory.h</name>\n+  </compound>\n+  <compound refid=\"unionfind_8h\" kind=\"file\">\n+    <name>unionfind.h</name>\n+  </compound>\n+  <compound refid=\"runnercommon_8cpp\" kind=\"file\">\n+    <name>runnercommon.cpp</name>\n+  </compound>\n+  <compound refid=\"runnercommon_8h\" kind=\"file\">\n+    <name>runnercommon.h</name>\n+  </compound>\n+  <compound refid=\"clustsize_8cpp\" kind=\"file\">\n+    <name>clustsize.cpp</name>\n+  </compound>\n   <compound refid=\"test__selection_8cpp\" kind=\"file\">\n     <name>test_selection.cpp</name>\n     <member refid=\"test__selection_8cpp_1a0ddf1224851353fc92bfbff6f499fa97\" kind=\"function\">\n       <name>main</name>\n     </member>\n   </compound>\n+  <compound refid=\"unionfind_8cpp\" kind=\"file\">\n+    <name>unionfind.cpp</name>\n+  </compound>\n   <compound refid=\"tests_2topologyinformation_8cpp\" kind=\"file\">\n     <name>topologyinformation.cpp</name>\n   </compound>\n   <compound refid=\"topologyinformation_8cpp\" kind=\"file\">\n     <name>topologyinformation.cpp</name>\n   </compound>\n-  <compound refid=\"modules_2trajectory_8cpp\" kind=\"file\">\n-    <name>trajectory.cpp</name>\n+  <compound refid=\"domdec_2utility_8h\" kind=\"file\">\n+    <name>utility.h</name>\n+    <member refid=\"domdec_2utility_8h_1ad8be86df1243f4c4cf275e130ca8c6df\" kind=\"function\">\n+      <name>isDlbOn</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1ad57e700f3ebb0a127187ca3d1b0e8211\" kind=\"function\">\n+      <name>isDlbDisabled</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n+      <name>dim2char</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n+      <name>make_tric_corr_matrix</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n+      <name>check_screw_box</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a155480532c8a0a96130c1751c53cc868\" kind=\"function\">\n+      <name>ddGetAtomInfo</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1add55e8ee06aa3b942947af95265badec\" kind=\"function\">\n+      <name>dd_load_count</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1affcd5680a909d4f7e36a42b0c53c0a3b\" kind=\"function\">\n+      <name>dd_resize_atominfo_and_state</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a348cc51cf67fa4a05a780abdf4643c69\" kind=\"function\">\n+      <name>atomToAtomIntoDomainToDomainCutoff</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a5d94f58e6d190b2f9e30012f41cb65c2\" kind=\"function\">\n+      <name>domainToDomainIntoAtomToDomainCutoff</name>\n+    </member>\n   </compound>\n-  <compound refid=\"tests_2trajectory_8cpp\" kind=\"file\">\n-    <name>trajectory.cpp</name>\n+  <compound refid=\"utility_8h\" kind=\"file\">\n+    <name>utility.h</name>\n   </compound>\n-  <compound refid=\"unionfind_8cpp\" kind=\"file\">\n-    <name>unionfind.cpp</name>\n+  <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n+    <name>alignedallocator.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n+    <name>alignedallocator.cpp</name>\n   </compound>\n   <compound refid=\"any_8cpp\" kind=\"file\">\n     <name>any.cpp</name>\n   </compound>\n   <compound refid=\"basenetwork_8cpp\" kind=\"file\">\n     <name>basenetwork.cpp</name>\n     <member refid=\"basenetwork_8cpp_1a0be63511ea9391dd2049b56d43a9e6a1\" kind=\"function\">\n@@ -106031,14 +106037,74 @@\n     <member refid=\"basenetwork_8h_1a856663c2fa6ff9a42b99facd16ecba7f\" kind=\"function\">\n       <name>gmx_abort</name>\n     </member>\n   </compound>\n   <compound refid=\"binaryinformation_8h\" kind=\"file\">\n     <name>binaryinformation.h</name>\n   </compound>\n+  <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n+    <name>bitmask.h</name>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+      <name>BITMASK_SIZE</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n+      <name>gmx_bitmask_t</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n+      <name>bitmask_clear</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n+      <name>bitmask_set_bit</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n+      <name>bitmask_init_bit</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n+      <name>bitmask_init_low_bits</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n+      <name>bitmask_is_set</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n+      <name>bitmask_is_disjoint</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n+      <name>bitmask_is_equal</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n+      <name>bitmask_is_zero</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n+      <name>bitmask_union</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n+    <name>bitmask.h</name>\n+    <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n+      <name>BITMASK_CLASSNAME_</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n+      <name>BITMASK_CLASSNAME</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n+      <name>BITMASK_TEST_P_</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n+      <name>BITMASK_TEST_P</name>\n+    </member>\n+  </compound>\n   <compound refid=\"booltype_8h\" kind=\"file\">\n     <name>booltype.h</name>\n   </compound>\n   <compound refid=\"compare_8h\" kind=\"file\">\n     <name>compare.h</name>\n     <member refid=\"compare_8h_1ad40ca9a553b3ccef4e8b0333186bab03\" kind=\"function\">\n       <name>equal_real</name>\n@@ -106475,14 +106541,20 @@\n   </compound>\n   <compound refid=\"typetraits_8h\" kind=\"file\">\n     <name>typetraits.h</name>\n   </compound>\n   <compound refid=\"init_8cpp\" kind=\"file\">\n     <name>init.cpp</name>\n   </compound>\n+  <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n+    <name>inmemoryserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n+    <name>inmemoryserializer.cpp</name>\n+  </compound>\n   <compound refid=\"int64__to__int_8cpp\" kind=\"file\">\n     <name>int64_to_int.cpp</name>\n     <member refid=\"int64__to__int_8cpp_1ab92665612f143c0333490cc3522d193e\" kind=\"function\">\n       <name>int64_to_int</name>\n     </member>\n   </compound>\n   <compound refid=\"keyvaluetree_8cpp\" kind=\"file\">\n@@ -106502,14 +106574,20 @@\n   </compound>\n   <compound refid=\"keyvaluetreetransform_8cpp\" kind=\"file\">\n     <name>keyvaluetreetransform.cpp</name>\n   </compound>\n   <compound refid=\"tests_2keyvaluetreetransform_8cpp\" kind=\"file\">\n     <name>keyvaluetreetransform.cpp</name>\n   </compound>\n+  <compound refid=\"logger_8cpp\" kind=\"file\">\n+    <name>logger.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2logger_8cpp\" kind=\"file\">\n+    <name>logger.cpp</name>\n+  </compound>\n   <compound refid=\"loggerbuilder_8cpp\" kind=\"file\">\n     <name>loggerbuilder.cpp</name>\n   </compound>\n   <compound refid=\"message__string__collector_8cpp\" kind=\"file\">\n     <name>message_string_collector.cpp</name>\n   </compound>\n   <compound refid=\"tests_2message__string__collector_8cpp\" kind=\"file\">\n@@ -106649,86 +106727,20 @@\n     <member refid=\"group__module__utility_1ga447d4d48064efaaa8ee438b3e5d0f676\" kind=\"function\">\n       <name>gmx_format_current_time</name>\n     </member>\n     <member refid=\"group__module__utility_1gac2072a6edde816d91e0bf12ca016f3b4\" kind=\"function\">\n       <name>gmx_set_nice</name>\n     </member>\n   </compound>\n-  <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n-    <name>alignedallocator.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n-    <name>alignedallocator.cpp</name>\n-  </compound>\n   <compound refid=\"alignedallocator__impl_8h\" kind=\"file\">\n     <name>alignedallocator_impl.h</name>\n   </compound>\n   <compound refid=\"arrayref_8cpp\" kind=\"file\">\n     <name>arrayref.cpp</name>\n   </compound>\n-  <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n-    <name>bitmask.h</name>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n-      <name>BITMASK_SIZE</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n-      <name>gmx_bitmask_t</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n-      <name>bitmask_clear</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n-      <name>bitmask_set_bit</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n-      <name>bitmask_init_bit</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n-      <name>bitmask_init_low_bits</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n-      <name>bitmask_is_set</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n-      <name>bitmask_is_disjoint</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n-      <name>bitmask_is_equal</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n-      <name>bitmask_is_zero</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n-      <name>bitmask_union</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n-      <name>to_hex_string</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n-      <name>to_hex_string</name>\n-    </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n-      <name>to_hex_string</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n-    <name>bitmask.h</name>\n-    <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n-      <name>BITMASK_CLASSNAME_</name>\n-    </member>\n-    <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n-      <name>BITMASK_CLASSNAME</name>\n-    </member>\n-    <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n-      <name>BITMASK_TEST_P_</name>\n-    </member>\n-    <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n-      <name>BITMASK_TEST_P</name>\n-    </member>\n-  </compound>\n   <compound refid=\"bitmask128_8cpp\" kind=\"file\">\n     <name>bitmask128.cpp</name>\n     <member refid=\"bitmask128_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n       <name>BITMASK_SIZE</name>\n     </member>\n   </compound>\n   <compound refid=\"bitmask32_8cpp\" kind=\"file\">\n@@ -106748,29 +106760,17 @@\n   </compound>\n   <compound refid=\"enumerationhelpers_8cpp\" kind=\"file\">\n     <name>enumerationhelpers.cpp</name>\n   </compound>\n   <compound refid=\"fixedcapacityvector_8cpp\" kind=\"file\">\n     <name>fixedcapacityvector.cpp</name>\n   </compound>\n-  <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n-    <name>inmemoryserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n-    <name>inmemoryserializer.cpp</name>\n-  </compound>\n   <compound refid=\"listoflists_8cpp\" kind=\"file\">\n     <name>listoflists.cpp</name>\n   </compound>\n-  <compound refid=\"logger_8cpp\" kind=\"file\">\n-    <name>logger.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2logger_8cpp\" kind=\"file\">\n-    <name>logger.cpp</name>\n-  </compound>\n   <compound refid=\"physicalnodecommunicator__mpi_8cpp\" kind=\"file\">\n     <name>physicalnodecommunicator_mpi.cpp</name>\n   </compound>\n   <compound refid=\"range_8cpp\" kind=\"file\">\n     <name>range.cpp</name>\n   </compound>\n   <compound refid=\"scope__guard_8cpp\" kind=\"file\">\n@@ -108476,14 +108476,20 @@\n   </compound>\n   <compound refid=\"mpi__printer_8cpp\" kind=\"file\">\n     <name>mpi_printer.cpp</name>\n   </compound>\n   <compound refid=\"mpi__printer_8h\" kind=\"file\">\n     <name>mpi_printer.h</name>\n   </compound>\n+  <compound refid=\"mpitest_8cpp\" kind=\"file\">\n+    <name>mpitest.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mpitest_8cpp\" kind=\"file\">\n+    <name>mpitest.cpp</name>\n+  </compound>\n   <compound refid=\"refdata_8cpp\" kind=\"file\">\n     <name>refdata.cpp</name>\n   </compound>\n   <compound refid=\"refdata__checkers_8h\" kind=\"file\">\n     <name>refdata_checkers.h</name>\n   </compound>\n   <compound refid=\"refdata__impl_8h\" kind=\"file\">\n@@ -108524,20 +108530,14 @@\n   </compound>\n   <compound refid=\"testmatchers_8cpp\" kind=\"file\">\n     <name>testmatchers.cpp</name>\n   </compound>\n   <compound refid=\"testoptions_8cpp\" kind=\"file\">\n     <name>testoptions.cpp</name>\n   </compound>\n-  <compound refid=\"mpitest_8cpp\" kind=\"file\">\n-    <name>mpitest.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mpitest_8cpp\" kind=\"file\">\n-    <name>mpitest.cpp</name>\n-  </compound>\n   <compound refid=\"naming_8cpp\" kind=\"file\">\n     <name>naming.cpp</name>\n   </compound>\n   <compound refid=\"refdata__tests_8cpp\" kind=\"file\">\n     <name>refdata_tests.cpp</name>\n   </compound>\n   <compound refid=\"testasserts__tests_8cpp\" kind=\"file\">\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": "@@ -452,15 +452,15 @@\n               <anchor id=\"todo_1_todo000232\"/>\n               Extend the coverage to the appending case.\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"device__management__sycl_8cpp_1a0579937ac9ed3975d887a3d976d94899\" kindref=\"member\">findDevices</ref>\n+              <ref refid=\"device__management_8cpp_1a0579937ac9ed3975d887a3d976d94899\" kindref=\"member\">findDevices</ref>\n               ()\n             </term>\n           </varlistentry>\n           <listitem>\n             <para>\n               <anchor id=\"todo_1_todo000061\"/>\n               : Check if errors do propagate in OpenCL as they do in CUDA and whether there is a mechanism to \"clear\" them.\n@@ -2663,15 +2663,15 @@\n               <anchor id=\"todo_1_todo000152\"/>\n               Change this to class\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n+              <ref refid=\"pme_8h_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n               (const\n               <ref refid=\"structt__commrec\" kindref=\"compound\">t_commrec</ref>\n               *cr, const\n               <ref refid=\"structNumPmeDomains\" kindref=\"compound\">NumPmeDomains</ref>\n               &amp;numPmeDomains, const\n               <ref refid=\"structt__inputrec\" kindref=\"compound\">t_inputrec</ref>\n               *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode,\n@@ -3202,15 +3202,15 @@\n               <ndash/>\n               renaming coefficients to charges (?)\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n+              <ref refid=\"pme_8h_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n               (const gmx_pme_t *pme)\n             </term>\n           </varlistentry>\n           <listitem>\n             <para>\n               <anchor id=\"todo_1_todo000025\"/>\n               This is a rather static data that should be managed by the higher level task scheduler.\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17693,15 +17693,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons Sijbers, Balint Soproni, David\n van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten\n Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG Groningen,\n The Netherlands.\n-\u00a9 2001 \u2013 2025:\n+\u00a9 2001 \u2013 2026:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala University,\n Sweden.\n This manual is not complete and has no pretension to be so, due to lack of time of the contributors \u2013 our first\n priority is to improve the software. It is worked on continuously, which in some cases might mean the information\n is not entirely correct.\n Comments on form and content are welcome, please send them to the user discussion forum or the developer\n discussion forum (see our webpage or this section on how to contribute (page 596)), or open an issue on our issue\n"}]}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "has_internal_linenos": true, "unified_diff": "@@ -4479,15 +4479,15 @@\n 000117e0: 6d69 7374 7279 2c20 556e 6976 6572 7369  mistry, Universi\n 000117f0: 7479 206f 6620 4772 6f6e 696e 6765 6e2e  ty of Groningen.\n 00011800: 0a4e 696a 656e 626f 7267 6820 342c 2039  .Nijenborgh 4, 9\n 00011810: 3734 3720 4147 2047 726f 6e69 6e67 656e  747 AG Groningen\n 00011820: 2c20 5468 6520 4e65 7468 6572 6c61 6e64  , The Netherland\n 00011830: 732e 3c2f 703e 0a3c 2f64 6976 3e3c 2f62  s.</p>.</div></b\n 00011840: 6c6f 636b 7175 6f74 653e 0a3c 703e c2a9  lockquote>.<p>..\n-00011850: 2032 3030 3120 e280 9320 3230 3235 3a3c   2001 ... 2025:<\n+00011850: 2032 3030 3120 e280 9320 3230 3236 3a3c   2001 ... 2026:<\n 00011860: 2f70 3e0a 3c62 6c6f 636b 7175 6f74 653e  /p>.<blockquote>\n 00011870: 0a3c 6469 763e 3c70 3e54 6865 2047 524f  .<div><p>The GRO\n 00011880: 4d41 4353 2064 6576 656c 6f70 6d65 6e74  MACS development\n 00011890: 2074 6561 6d73 2061 7420 7468 6520 526f   teams at the Ro\n 000118a0: 7961 6c20 496e 7374 6974 7574 6520 6f66  yal Institute of\n 000118b0: 2054 6563 686e 6f6c 6f67 7920 616e 640a   Technology and.\n 000118c0: 5570 7073 616c 6120 556e 6976 6572 7369  Uppsala Universi\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -459,15 +459,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons\n Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff,\n Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n      Department of Biophysical Chemistry, University of Groningen.\n      Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2025:\n+\u00a9 2001 \u2013 2026:\n      The GROMACS development teams at the Royal Institute of Technology\n      and Uppsala University, Sweden.\n This manual is not complete and has no pretension to be so, due to lack of time\n of the contributors \u2013 our first priority is to improve the software. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to the _\bu_\bs_\be_\br\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -11186,15 +11186,15 @@\n         \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 373],\n         \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 337, 350, 373],\n         \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 325, 373],\n         \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 326, 373],\n         \"2023\": [38, 122, 193, 287, 301, 302, 322, 328, 329, 330, 331, 332, 333, 334, 373],\n         \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 339, 345, 346, 347, 354, 355, 368],\n         \"2025\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 348, 349, 351, 352, 353, 354, 355, 356, 357, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377],\n-        \"2026\": [249, 358],\n+        \"2026\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377],\n         \"2027\": 249,\n         \"2028\": 249,\n         \"2029\": 223,\n         \"2031\": 242,\n         \"2032\": [49, 193, 242],\n         \"2033\": 223,\n         \"2037\": [223, 239, 250],\n"}]}]}]}]}]}