{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.1OXJvsY1/b1/gromacs_2025.1-1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.1OXJvsY1/b2/gromacs_2025.1-1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,9 +1,9 @@\n \n- 59d4cbd8c46599b48977c98710c19f29 46061372 science optional gromacs-data_2025.1-1_all.deb\n+ 123adabc6ef5c0a948362498565bb11f 46061380 science optional gromacs-data_2025.1-1_all.deb\n 872eb141a7e4e8534cfd10b5c2865aca 1034144 debug optional gromacs-dbgsym_2025.1-1_amd64.deb\n e9a428a45b9c9f8ee64a7b8096e6a2b6 60912 science optional gromacs_2025.1-1_amd64.deb\n 4253e20419f094714b48715d1f0d7f95 174892 libdevel optional libgromacs-dev_2025.1-1_amd64.deb\n 69fb9e81493da7ece7ee164dbf5d9ff3 569845928 debug optional libgromacs10-dbgsym_2025.1-1_amd64.deb\n b97d2157b0fba04dfc437bd9ae1b5496 33225784 libs optional 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"unified_diff": "@@ -1,13 +1,13 @@\n Package: gromacs-data\n Source: gromacs\n Version: 2025.1-1\n Architecture: all\n Maintainer: Debichem Team \n-Installed-Size: 329329\n+Installed-Size: 329327\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": "@@ -4906,15 +4906,15 @@\n -rw-r--r-- 0 root (0) root (0) 57841 2025-03-12 01:30:11.000000 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6373 5f6d 646c _src_gromacs_mdl\n-00003520: 6962 3c2f 7469 746c 653e 0a3c 656c 6c69 ib.\n-00003580: 0a3c 7465 7874 2074 6578 742d 616e 6368 .mdlib<\n-000035e0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>...\n-00003630: 3c67 2069 643d 2265 6467 6536 2220 636c .module_src_gr\n-00003660: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-00003670: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00003680: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib....\n-00003860: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-00003890: 6720 6964 3d22 6e6f 6465 3438 2220 636c g id=\"node48\" cl\n-000038a0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-000038c0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000038d0: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n-000038e0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3438 ...awh......module_src_gro\n-00003a80: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-00003a90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00003aa0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00003ab0: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh......\n-00003ca0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00003cb0: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n-00003cc0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-00003cd0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00003ce0: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n-00003cf0: 3231 3922 2063 793d 222d 3930 392e 3632 219\" cy=\"-909.62\n-00003d00: 2220 7278 3d22 3339 2e37 2220 7279 3d22 \" rx=\"39.7\" ry=\"\n-00003d10: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n-00003d20: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n-00003d30: 6c65 2220 783d 2231 3231 3922 2079 3d22 le\" x=\"1219\" y=\"\n-00003d40: 2d39 3037 2e31 3222 2066 6f6e 742d 6661 -907.12\" font-fa\n-00003d50: 6d69 6c79 3d22 4672 6565 5361 6e73 2220 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7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00003f30: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-00003f40: 6172 6526 2334 353b 2667 743b 6d6f 6475 are->modu\n-00003f50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00003f60: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-00003f70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-00004220: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00004230: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n-00004240: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n-00004250: 5f6e 6f64 6539 223e 3c61 2078 6c69 6e6b _node9\"><a xlink\n-00004260: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n-00004270: 6475 6c65 5f5f 6d64 7275 6e75 7469 6c69 dule__mdrunutili\n-00004280: 7479 2e78 6874 6d6c 2220 7461 7267 6574 ty.xhtml\" target\n-00004290: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n-000042a0: 746c 653d 226d 6472 756e 7574 696c 6974 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modul\n-00004390: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-000043a0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-000043b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000043c0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67 unutility -->.<g\n-000043d0: 2069 643d 2265 6467 6532 3322 2063 6c61 id=\"edge23\" cla\n-000043e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000043f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00004400: 6d61 6373 5f69 6d64 2623 3435 3b26 6774 macs_imd->\n-00004410: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00004420: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-00004430: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-00004790: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n-000047a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000047b0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-000047c0: 6f3c 2f74 6974 6c65 3e0a 3c70 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3831 2c2d 199.68 1575.81,-\n-00004ff0: 3137 362e 3331 222f 3e0a 3c70 6f6c 7967 176.31\"/>.<polyg\n-00005000: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-00005010: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-00005020: 6622 2070 6f69 6e74 733d 2231 3537 382e f\" points=\"1578.\n-00005030: 3338 2c2d 3137 332e 3933 2031 3536 392e 38,-173.93 1569.\n-00005040: 3435 2c2d 3136 382e 3233 2031 3537 322e 45,-168.23 1572.\n-00005050: 3838 2c2d 3137 382e 3235 2031 3537 382e 88,-178.25 1578.\n-00005060: 3338 2c2d 3137 332e 3933 222f 3e0a 3c2f 38,-173.93\"/>.</\n-00005070: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00005080: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n-00005090: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000050a0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n-000050b0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-000050c0: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-000050d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000050e0: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n-000050f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00005100: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-00005110: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00005120: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00005130: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-00005140: 3532 322e 3039 2c2d 3630 312e 3035 4331 522.09,-601.05C1\n-00005150: 3435 382e 3836 2c2d 3631 322e 3220 3132 458.86,-612.2 12\n-00005160: 3932 2e36 2c2d 3633 392e 3836 2031 3231 92.6,-639.86 121\n-00005170: 382c 2d36 3531 2e36 3622 2f3e 0a3c 706f 8,-651.66\"/>.<po\n-00005180: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00005190: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-000051a0: 6266 6266 2220 706f 696e 7473 3d22 3132 bfbf\" points=\"12\n-000051b0: 3137 2e30 312c 2d36 3438 2e32 3720 3132 17.01,-648.27 12\n-000051c0: 3037 2e36 382c 2d36 3533 2e32 3820 3132 07.68,-653.28 12\n-000051d0: 3138 2e31 2c2d 3635 352e 3139 2031 3231 18.1,-655.19 121\n-000051e0: 372e 3031 2c2d 3634 382e 3237 222f 3e0a 7.01,-648.27\"/>.\n-000051f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00005200: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-00005210: 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 643d ology -->.<g id=\n-00005220: 226e 6f64 6536 2220 636c 6173 733d 226e \"node6\" class=\"n\n-00005230: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n-00005240: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00005250: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n-00005260: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-00005310: 746f 706f 6c6f 6779 3c2f 7465 7874 3e0a topology.\n-00005320: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-000053a0: 6163 735f 746f 706f 6c6f 6779 2623 3435 acs_topology-\n-000053b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000053c0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-000053d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n-000054d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_tes\n-00005520: 7475 7469 6c73 3c2f 7469 746c 653e 0a3c tutils.<\n-00005530: 6720 6964 3d22 615f 6e6f 6465 3439 223e g id=\"a_node49\">\n-00005540: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..testutils...\n-00005660: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-000056d0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-000056e0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d pology->m\n-000056f0: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n-00005700: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils..<\n-000057a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-000057b0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-000057c0: 706f 696e 7473 3d22 3234 3037 2e30 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s...\n-00005ae0: 3c74 6578 7420 7465 7874 2d61 6e63 686f options...<\n-00005b50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n-00005ba0: 3c67 2069 643d 2265 6467 6532 3722 2063 .module_src_g\n-00005bd0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-00005be0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-00005bf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-00005c00: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions.<\n-00005c10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00005c20: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-00005c30: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00005c40: 6179 3d22 352c 3222 2064 3d22 4d37 3434 ay=\"5,2\" d=\"M744\n-00005c50: 2e38 322c 2d31 3038 392e 3039 4337 3531 .82,-1089.09C751\n-00005c60: 2e38 332c 2d31 3038 372e 3539 2037 3539 .83,-1087.59 759\n-00005c70: 2e31 332c 2d31 3038 362e 3039 2037 3636 .13,-1086.09 766\n-00005c80: 2c2d 3130 3834 2e37 3920 3132 3132 2e32 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2667 743b 6d6f 6475 6c65 y->module\n-00005e50: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-00005e60: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware...\n-00005f50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n-00005fa0: 0a3c 6720 6964 3d22 6564 6765 3331 2220 ..module_src_\n-00005fd0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00005fe0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-00005ff0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00006000: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline..\n-000061b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ..\n-00006220: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-00006290: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000062a0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-000062b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000062c0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-000062d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 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2e35 382c 2d39 3038 2e33 222f 1197.58,-908.3\"/\n+000008e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.\n+00000950: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+000009a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000009b0: 676d 7861 6e61 3c2f 7469 746c 653e 0a3c gmxana.<\n+000009c0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+000009d0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+000009e0: 6c61 636b 2220 6378 3d22 3130 3032 2220 lack\" cx=\"1002\" \n+000009f0: 6379 3d22 2d31 3033 352e 3336 2220 7278 cy=\"-1035.36\" rx\n+00000a00: 3d22 3335 2e32 3122 2072 793d 2231 332e =\"35.21\" ry=\"13.\n+00000a10: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.\n+00000a70: 676d 7861 6e61 3c2f 7465 7874 3e0a 3c2f gmxana....module_src_pr\n+00000b00: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n+00000b10: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n+00000b20: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00000b30: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061 xana....<\n+00000cf0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00000d00: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+00000d10: 3e0a 3c67 2069 643d 226e 6f64 6531 3322 >..<\n+00000d30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00000d40: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+00000d50: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>..fileio....module_src_grom\n+00001050: 6163 735f 7472 616a 6563 746f 7279 3c2f acs_trajectory..trajectory....m\n+000011a0: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n+000011b0: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n+000011c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000011d0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+000011e0: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory...\n+00001330: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+00001380: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00001390: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c65 dspan..mdspan<\n+00001450: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>....modu\n+000014d0: 6c65 5f73 7263 5f70 726f 6772 616d 735f le_src_programs_\n+000014e0: 6d64 7275 6e5f 7465 7374 7326 2334 353b mdrun_tests-\n+000014f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00001500: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74 romacs_mdspan</t\n+00001510: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00001520: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00001530: 7265 6422 2064 3d22 4d32 3435 382e 3031 red\" d=\"M2458.01\n+00001540: 2c2d 3832 2e33 4332 3434 372e 3339 2c2d ,-82.3C2447.39,-\n+00001550: 3830 2e39 3420 3234 3336 2e33 382c 2d37 80.94 2436.38,-7\n+00001560: 392e 3731 2032 3432 362c 2d37 382e 3837 9.71 2426,-78.87\n+00001570: 2032 3031 332e 3833 2c2d 3435 2e36 3820 2013.83,-45.68 \n+00001580: 3637 302e 3232 2c2d 3333 2e30 3220 3430 670.22,-33.02 40\n+00001590: 332e 3333 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6c69 ss..gmxp\n+00001730: 7265 7072 6f63 6573 733c 2f74 6578 743e reprocess\n+00001740: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+000017c0: 756c 655f 7372 635f 7072 6f67 7261 6d73 ule_src_programs\n+000017d0: 5f6d 6472 756e 5f74 6573 7473 2623 3435 _mdrun_tests-\n+000017e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000017f0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00001800: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70 ocess......mod\n+000019e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000019f0: 6577 616c 643c 2f74 6974 6c65 3e0a 3c67 ewald.<\n+00001a10: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+00001a20: 6f75 705f 5f6d 6f64 756c 655f 5f65 7761 oup__module__ewa\n+00001a30: 6c64 2e78 6874 6d6c 2220 7461 7267 6574 ld.xhtml\" target\n+00001a40: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n+00001a50: 746c 653d 2265 7761 6c64 223e 0a3c 656c tle=\"ewald\">..ewal\n+00001b10: 643c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f d......module_src_grom\n+00001d30: 6163 735f 6f6e 6c69 6e65 6865 6c70 3c2f acs_onlinehelp..\n+00001db0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .onl\n+00001e60: 696e 6568 656c 703c 2f74 6578 743e 0a3c inehelp.<\n+00001e70: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....module_src_pro\n+00001f00: 6772 616d 735f 6d64 7275 6e5f 7465 7374 grams_mdrun_test\n+00001f10: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00001f20: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n+00001f30: 696e 6568 656c 703c 2f74 6974 6c65 3e0a inehelp.\n+00001f40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+00002070: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00002080: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+00002090: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+000020a0: 3937 362e 3537 2c2d 3833 332e 3933 2039 976.57,-833.93 9\n+000020b0: 3637 2e33 322c 2d38 3339 2e30 3920 3937 67.32,-839.09 97\n+000020c0: 372e 3737 2c2d 3834 302e 3832 2039 3736 7.77,-840.82 976\n+000020d0: 2e35 372c 2d38 3333 2e39 3322 2f3e 0a3c .57,-833.93\"/>.<\n+000020e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+00002130: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00002140: 6c73 3c2f 7469 746c 653e 0a3c 656c 6c69 ls..tools...\n+00002490: 3c67 2069 643d 226e 6f64 6534 3422 2063 .module_src_g\n+000024c0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+000024d0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>..hardware....modul\n+00002610: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n+00002620: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n+00002630: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00002640: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware</\n+00002650: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00002660: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00002670: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" 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7369 romacs_modularsi\n+00002930: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00002940: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00002950: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d cs_commandline -\n+00002960: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n+00002970: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00002980: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00002990: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+000029a0: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n+000029b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000029c0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+000029d0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module\n+00002b20: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00002b30: 6b61 7373 6967 6e6d 656e 743c 2f74 6974 kassignment</tit\n+00002b40: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n+00002b50: 6538 223e 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omacs_modularsim\n+00002d20: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+00002d30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002d40: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+00002d50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+00002f00: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00002f10: 6e3c 2f74 6974 6c65 3e0a 3c67 2069 643d n...<\n+00002fd0: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00002fe0: 3d22 6d69 6464 6c65 2220 783d 2231 3232 =\"middle\" x=\"122\n+00002ff0: 3422 2079 3d22 2d32 3738 2e34 3222 2066 4\" y=\"-278.42\" f\n+00003000: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+00003010: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+00003020: 2231 302e 3030 223e 6d64 7275 6e3c 2f74 \"10.00\">mdrun...<\n+00003040: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00003250: 3c67 2069 643d 2265 6467 6531 3522 2063 .module_src_g\n+00003280: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00003290: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+000032a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000032b0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio....<\n+00003400: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00003410: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+00003420: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->..module_\n+00003450: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00003460: 7574 696c 733c 2f74 6974 6c65 3e0a 3c65 utils..gpu_\n+00003520: 7574 696c 733c 2f74 6578 743e 0a3c 2f67 utils...\n+000035a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000035b0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+000035c0: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+000035d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000035e0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+000035f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000036d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+000036e0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+000036f0: 636b 2220 706f 696e 7473 3d22 3139 3134 ck\" points=\"1914\n+00003700: 2e38 372c 2d36 3132 2e37 3620 3139 3035 .87,-612.76 1905\n+00003710: 2e33 312c 2d36 3038 2e32 3120 3139 3039 .31,-608.21 1909\n+00003720: 2e39 352c 2d36 3137 2e37 3420 3139 3134 .95,-617.74 1914\n+00003730: 2e38 372c 2d36 3132 2e37 3622 2f3e 0a3c .87,-612.76\"/>.<\n+00003740: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+00003790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+000037a0: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n+000037b0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+000037c0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+000037d0: 6c61 636b 2220 6378 3d22 3130 3830 2220 lack\" cx=\"1080\" \n+000037e0: 6379 3d22 2d32 3138 2e30 3522 2072 783d cy=\"-218.05\" rx=\n+000037f0: 2233 312e 3233 2220 7279 3d22 3133 2e33 \"31.23\" ry=\"13.3\n+00003800: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.pu\n+00003860: 6c6c 696e 673c 2f74 6578 743e 0a3c 2f67 lling..\n+00003ad0: 0a3c 6720 6964 3d22 6e6f 6465 3235 2220 ..module_src_\n+00003b00: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib..mdlib.\n+00003bd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00003e20: 3c67 2069 643d 226e 6f64 6532 3622 2063 .module_src_g\n+00003e50: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec...domdec......mo\n+00004250: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00004260: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00004270: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00004280: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00004290: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld......mod\n+00004650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00004660: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00004670: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00004680: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00004690: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n+000046a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000046b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+000046c0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000046d0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000046e0: 3134 3935 2e34 2c2d 3937 302e 3433 4331 1495.4,-970.43C1\n+000046f0: 3632 362e 3733 2c2d 3936 342e 3234 2031 626.73,-964.24 1\n+00004700: 3931 372e 3138 2c2d 3932 382e 3435 2031 917.18,-928.45 1\n+00004710: 3936 352c 2d37 3334 2e34 3420 3230 3039 965,-734.44 2009\n+00004720: 2e39 332c 2d35 3532 2e31 3720 3139 3334 .93,-552.17 1934\n+00004730: 2e32 322c 2d34 3933 2e38 3720 3138 3432 .22,-493.87 1842\n+00004740: 2c2d 3333 302e 3335 2031 3830 392e 3932 ,-330.35 1809.92\n+00004750: 2c2d 3237 332e 3437 2031 3830 342e 3733 ,-273.47 1804.73\n+00004760: 2c2d 3235 372e 3139 2031 3736 362c 2d32 ,-257.19 1766,-2\n+00004770: 3034 2e36 3120 3137 3538 2e37 322c 2d31 04.61 1758.72,-1\n+00004780: 3934 2e37 3320 3137 3439 2e38 342c 2d31 94.73 1749.84,-1\n+00004790: 3834 2e34 3720 3137 3432 2e30 342c 2d31 84.47 1742.04,-1\n+000047a0: 3735 2e39 3522 2f3e 0a3c 706f 6c79 676f 75.95\"/>.<polygo\n+000047b0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000047c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000047d0: 2220 706f 696e 7473 3d22 3137 3434 2e33 \" points=\"1744.3\n+000047e0: 362c 2d31 3733 2e33 3120 3137 3334 2e39 6,-173.31 1734.9\n+000047f0: 382c 2d31 3638 2e33 3920 3137 3339 2e32 8,-168.39 1739.2\n+00004800: 342c 2d31 3738 2e30 3920 3137 3434 2e33 4,-178.09 1744.3\n+00004810: 362c 2d31 3733 2e33 3122 2f3e 0a3c 2f67 6,-173.31\"/>.</g\n+00004820: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00004830: 635f 6772 6f6d 6163 735f 6e62 6e78 6d20 c_gromacs_nbnxm 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7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00005040: 786c 6962 3c2f 7469 746c 653e 0a3c 656c xlib..gmxlib\n+00005100: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....m\n+00005180: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005190: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+000051a0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+000051b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000051c0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib.....\n+000053d0: 3c67 2069 643d 226e 6f64 6534 3522 2063 .module_src_g\n+00005400: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes..mdtypes....mod\n+00005550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00005560: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00005570: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00005580: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00005590: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes..<\n+00005650: 706f 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3032 2036 633.69,-174.02 6\n+00005aa0: 3339 2e32 372c 2d31 3738 2e32 3422 2f3e 39.27,-178.24\"/>\n+00005ab0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00005ac0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00005ad0: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c runutility -->.<\n+00005ae0: 6720 6964 3d22 6e6f 6465 3438 2220 636c g id=\"node48\" cl\n+00005af0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n+00005b00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00005b10: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00005b20: 7479 3c2f 7469 746c 653e 0a3c 6720 6964 ty...mdrunutil\n+00005c50: 6974 793c 2f74 6578 743e 0a3c 2f61 3e0a ity..\n+00005c60: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ...<\n+00005cc0: 6720 6964 3d22 6564 6765 3136 2220 636c g id=\"edge16\" cl\n+00005cd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00005cf0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+00005d00: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+00005d10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005d20: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility..<\n+00005e10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00005e20: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00005e30: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00005e40: 3132 3737 2e32 382c 2d37 3239 2e35 2031 1277.28,-729.5 1\n+00005e50: 3236 362e 3639 2c2d 3732 392e 3839 2031 266.69,-729.89 1\n+00005e60: 3237 352e 3231 2c2d 3733 362e 3139 2031 275.21,-736.19 1\n+00005e70: 3237 372e 3238 2c2d 3732 392e 3522 2f3e 277.28,-729.5\"/>\n+00005e80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00005ed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005ee0: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n+00005ef0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3132 ...options.\n+00006010: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+00006020: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00006030: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00006040: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n+00006050: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n+00006060: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->..mo\n+00006090: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000060a0: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n+000060b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000060c0: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+000060d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000060e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000060f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00006100: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00006110: 2220 643d 224d 3130 3930 2e35 372c 2d39 \" d=\"M1090.57,-9\n+00006120: 3032 2e35 3243 3130 3732 2e39 382c 2d39 02.52C1072.98,-9\n+00006130: 3030 2e32 3720 3130 3532 2e35 362c 2d38 00.27 1052.56,-8\n+00006140: 3937 2e38 3620 3130 3334 2c2d 3839 362e 97.86 1034,-896.\n+00006150: 3138 2039 3635 2e30 352c 2d38 3839 2e39 18 965.05,-889.9\n+00006160: 3520 3436 322e 372c 2d39 3037 2e33 3220 5 462.7,-907.32 \n+00006170: 3431 322c 2d38 3630 2e31 3820 3332 392e 412,-860.18 329.\n+00006180: 3435 2c2d 3738 332e 3432 2033 3836 2e33 45,-783.42 386.3\n+00006190: 352c 2d37 3231 2e31 3920 3337 392c 2d36 5,-721.19 379,-6\n+000061a0: 3038 2e37 2033 3737 2e31 382c 2d35 3830 08.7 377.18,-580\n+000061b0: 2e37 3920 3338 302e 3737 2c2d 3537 332e .79 380.77,-573.\n+000061c0: 3738 2033 3832 2c2d 3534 352e 3833 2033 78 382,-545.83 3\n+000061d0: 3838 2e31 362c 2d34 3036 2e34 3720 3338 88.16,-406.47 38\n+000061e0: 352e 3639 2c2d 3233 382e 3820 3338 342e 5.69,-238.8 384.\n+000061f0: 352c 2d31 3738 2e38 3522 2f3e 0a3c 706f 5,-178.85\"/>.<po\n+00006200: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+00006210: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+00006220: 3266 6363 2220 706f 696e 7473 3d22 3338 2fcc\" points=\"38\n+00006230: 382c 2d31 3738 2e35 3620 3338 342e 3239 8,-178.56 384.29\n+00006240: 2c2d 3136 382e 3633 2033 3831 2c2d 3137 ,-168.63 381,-17\n+00006250: 382e 3720 3338 382c 2d31 3738 2e35 3622 8.7 388,-178.56\"\n+00006260: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00006270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006280: 636f 6d6d 616e 646c 696e 6526 2334 353b commandline-\n+00006290: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000062a0: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+000062b0: 3e0a 3c67 2069 643d 2265 6467 6531 3722 >.<g id=\"edge17\"\n+000062c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+000062d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000062e0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+000062f0: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64 line->mod\n+00006300: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006310: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+00006320: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00006330: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00006340: 2220 643d 224d 3131 3136 2e34 392c 2d38 \" d=\"M1116.49,-8\n+00006350: 3936 2e38 3843 3131 3031 2e34 312c 2d38 96.88C1101.41,-8\n+00006360: 3837 2e33 3220 3130 3739 2e39 392c 2d38 87.32 1079.99,-8\n+00006370: 3733 2e37 3420 3130 3633 2e34 392c 2d38 73.74 1063.49,-8\n+00006380: 3633 2e32 3822 2f3e 0a3c 706f 6c79 676f 63.28\"/>....\n+00006450: 3c67 2069 643d 2265 6467 6531 3922 2063 .module_src_g\n+00006480: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00006490: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n+000064a0: 655f 7372 635f 6772 6f6d 6163 735f 6f6e e_src_gromacs_on\n+000064b0: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e linehelp\n+000064c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+000065a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000065b0: 726f 6d61 6373 5f73 696d 6420 2d2d 3e0a romacs_simd -->.\n+000065c0: 3c67 2069 643d 226e 6f64 6534 2220 636c .module_src_gr\n+000065f0: 6f6d 6163 735f 7369 6d64 3c2f 7469 746c omacs_simd..<\n+00006660: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n+00006670: 6665 3463 6322 2073 7472 6f6b 653d 2262 fe4cc\" stroke=\"b\n+00006680: 6c61 636b 2220 6378 3d22 3231 3539 2220 lack\" cx=\"2159\" \n+00006690: 6379 3d22 2d31 3136 312e 3122 2072 783d cy=\"-1161.1\" rx=\n+000066a0: 2232 3722 2072 793d 2231 332e 3337 222f \"27\" ry=\"13.37\"/\n+000066b0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.simd<\n+00006710: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n+00006720: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00006770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00006780: 696d 696e 673c 2f74 6974 6c65 3e0a 3c65 iming..tim\n+00006840: 696e 673c 2f74 6578 743e 0a3c 2f67 3e0a ing..\n+00006850: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+000068c0: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+000068d0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+000068e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000068f0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+00006900: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00006910: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00006920: 2220 643d 224d 3135 3933 2e32 392c 2d37 \" d=\"M1593.29,-7\n+00006930: 3037 2e39 3843 3135 3939 2e35 312c 2d36 07.98C1599.51,-6\n+00006940: 3939 2e39 3220 3136 3037 2e38 372c 2d36 99.92 1607.87,-6\n+00006950: 3839 2e30 3920 3136 3135 2e31 342c 2d36 89.09 1615.14,-6\n+00006960: 3739 2e36 3822 2f3e 0a3c 706f 6c79 676f 79.68\"/>.....m\n+00006a30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006a40: 735f 6c69 6e65 6172 616c 6765 6272 613c s_linearalgebra<\n+00006a50: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+00006a60: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00006a70: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00006a80: 783d 2231 3738 3722 2063 793d 222d 3131 x=\"1787\" cy=\"-11\n+00006a90: 3631 2e31 2220 7278 3d22 3530 2e34 3122 61.1\" rx=\"50.41\"\n+00006aa0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+00006ab0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+00006ac0: 226d 6964 646c 6522 2078 3d22 3137 3837 \"middle\" x=\"1787\n+00006ad0: 2220 793d 222d 3131 3538 2e36 2220 666f \" y=\"-1158.6\" fo\n+00006ae0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00006af0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00006b00: 3130 2e30 3022 3e6c 696e 6561 7261 6c67 10.00\">linearalg\n+00006b10: 6562 7261 3c2f 7465 7874 3e0a 3c2f 673e ebra</text>.</g>\n+00006b20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00006b30: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e _gromacs_fft -->\n+00006b40: 0a3c 6720 6964 3d22 6e6f 6465 3722 2063 .<g id=\"node7\" c\n+00006b50: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00006b60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00006b70: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft</titl\n+00006b80: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+00006b90: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00006ba0: 653d 2262 6c61 636b 2220 6378 3d22 3233 e=\"black\" cx=\"23\n+00006bb0: 3333 2220 6379 3d22 2d39 322e 3331 2220 33\" cy=\"-92.31\" \n+00006bc0: 7278 3d22 3237 2220 7279 3d22 3133 2e33 rx=\"27\" ry=\"13.3\n+00006bd0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n+00006be0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n+00006bf0: 783d 2232 3333 3322 2079 3d22 2d38 392e x=\"2333\" y=\"-89.\n+00006c00: 3831 2220 666f 6e74 2d66 616d 696c 793d 81\" font-family=\n+00006c10: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n+00006c20: 7369 7a65 3d22 3130 2e30 3022 3e66 6674 size=\"10.00\">fft\n+00006c30: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d </text>.</g>.<!-\n+00006c40: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00006c50: 6d61 6373 5f66 6674 2623 3435 3b26 6774 macs_fft->\n+00006c60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00006c70: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n+00006c80: 3e0a 3c67 2069 643d 2265 6467 6532 3122 >.<g id=\"edge21\"\n+00006c90: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00006ca0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00006cb0: 5f67 726f 6d61 6373 5f66 6674 2623 3435 _gromacs_fft-\n+00006cc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00006cd0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+00006ce0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......<\n+00006ea0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00006eb0: 5f67 726f 6d61 6373 5f66 6674 2623 3435 _gromacs_fft-\n+00006ec0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00006ed0: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00006ee0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+00007030: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00007040: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+00007050: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00007060: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+00007070: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......modu\n+00007210: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00007220: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+00007230: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00007240: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+00007250: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00007260: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00007270: 2223 6266 6266 6266 2220 643d 224d 3139 \"#bfbfbf\" d=\"M19\n+00007280: 3930 2e37 352c 2d32 3330 2e36 3943 3139 90.75,-230.69C19\n+00007290: 3339 2e35 382c 2d32 3537 2e30 3220 3138 39.58,-257.02 18\n+000072a0: 3038 2e39 382c 2d33 3231 2e36 2031 3639 08.98,-321.6 169\n+000072b0: 332c 2d33 3537 2e32 3220 3134 3434 2e33 3,-357.22 1444.3\n+000072c0: 2c2d 3433 332e 3539 2031 3132 392e 3634 ,-433.59 1129.64\n+000072d0: 2c2d 3435 392e 3433 2031 3032 322e 3036 ,-459.43 1022.06\n+000072e0: 2c2d 3436 362e 3336 222f 3e0a 3c70 6f6c ,-466.36\"/>.<pol\n+000072f0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00007300: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00007310: 6662 6622 2070 6f69 6e74 733d 2231 3032 fbf\" points=\"102\n+00007320: 312e 3737 2c2d 3436 322e 3837 2031 3031 1.77,-462.87 101\n+00007330: 322e 3031 2c2d 3436 362e 3939 2031 3032 2.01,-466.99 102\n+00007340: 322e 3231 2c2d 3436 392e 3835 2031 3032 2.21,-469.85 102\n+00007350: 312e 3737 2c2d 3436 322e 3837 222f 3e0a 1.77,-462.87\"/>.\n+00007360: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00007370: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00007380: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00007390: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000073a0: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n+000073b0: 3e0a 3c67 2069 643d 2265 6467 6533 3022 >.<g id=\"edge30\"\n+000073c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+000073d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000073e0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+000073f0: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+00007400: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00007410: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+00007420: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00007430: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00007440: 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3334 342e 3834 1693.89,-344.84\n+00007530: 2031 3639 332e 3531 2c2d 3333 372e 3835 1693.51,-337.85\n+00007540: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00007550: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007560: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+00007570: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00007580: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00007590: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000075a0: 3233 2220 636c 6173 733d 2265 6467 6522 23\" class=\"edge\"\n+000075b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000075c0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+000075d0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+000075e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000075f0: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+00007600: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path 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7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n+00007700: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n+00007710: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007720: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00007730: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00007740: 6765 3235 2220 636c 6173 733d 2265 6467 ge25\" class=\"edg\n+00007750: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00007760: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00007770: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+00007780: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00007790: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000077a0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces...\n+000078a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+00007ae0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00007af0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+00007b00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00007b10: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00007b20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00007b90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+00007c00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-00007e80: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-00007e90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00007ea0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware......mo\n-00008020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00008030: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n-00008040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008050: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft.....\n-00008170: 3c67 2069 643d 2265 6467 6534 3322 2063 .module_src_g\n-000081a0: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-000081b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000081c0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n-000081d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_gro\n-00008330: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm...nbnxm.....\n-000084b0: 3c67 2069 643d 2265 6467 6534 3622 2063 .module_src_g\n-000084e0: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-000084f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00008500: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm.....<\n-00008730: 6720 6964 3d22 6564 6765 3431 2220 636c g id=\"edge41\" cl\n-00008740: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-00008760: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00008770: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00008780: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec.....\n-00008900: 3c67 2069 643d 2265 6467 6534 3522 2063 .module_src_g\n-00008930: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-00008940: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00008950: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-00008960: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n-00008a40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00008a50: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-00008a60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00008a70: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n-00008a80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3432 ->..\n-00008aa0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00008ab0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-00008ac0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00008ad0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00008ae0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.....<\n-00008c90: 6720 6964 3d22 6564 6765 3434 2220 636c g id=\"edge44\" cl\n-00008ca0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-00008cc0: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00008cd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00008ce0: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib......m\n-00008e20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008e30: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n-00008e40: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00008e50: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00008e60: 3d22 626c 6163 6b22 2063 783d 2231 3330 =\"black\" cx=\"130\n-00008e70: 3822 2063 793d 222d 3930 392e 3632 2220 8\" cy=\"-909.62\" \n-00008e80: 7278 3d22 3331 2e36 3422 2072 793d 2231 rx=\"31.64\" ry=\"1\n-00008e90: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-00008ea0: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-00008eb0: 6522 2078 3d22 3133 3038 2220 793d 222d e\" x=\"1308\" y=\"-\n-00008ec0: 3930 372e 3132 2220 666f 6e74 2d66 616d 907.12\" 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3e0a 3c70 6174 6820 s......modul\n-00009110: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00009120: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00009130: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00009140: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n-00009150: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00009160: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00009170: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00009180: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00009190: 3d22 4d38 3536 2e34 392c 2d31 3033 302e =\"M856.49,-1030.\n-000091a0: 3634 4339 3331 2e32 392c 2d31 3032 302e 64C931.29,-1020.\n-000091b0: 3531 2031 3135 302e 3531 2c2d 3939 322e 51 1150.51,-992.\n-000091c0: 3332 2031 3235 322e 322c 2d39 3739 2e37 32 1252.2,-979.7\n-000091d0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n-000091e0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" 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353b 2667 743b 6d6f 6475 eio->modu\n-000092e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-000092f0: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n-00009300: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00009310: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00009320: 6662 6622 2064 3d22 4d38 3034 2e32 332c fbf\" d=\"M804.23,\n-00009330: 2d31 3033 332e 3643 3736 302e 3539 2c2d -1033.6C760.59,-\n-00009340: 3130 3331 2e33 2036 3732 2e35 392c 2d31 1031.3 672.59,-1\n-00009350: 3032 322e 3133 2036 3039 2c2d 3938 352e 022.13 609,-985.\n-00009360: 3932 2035 3637 2e35 312c 2d39 3632 2e32 92 567.51,-962.2\n-00009370: 3920 3334 352e 3433 2c2d 3730 392e 3137 9 345.43,-709.17\n-00009380: 2033 3136 2c2d 3637 312e 3537 2032 3734 316,-671.57 274\n-00009390: 2e38 382c 2d36 3139 2e30 3320 3236 332e .88,-619.03 263.\n-000093a0: 3033 2c2d 3630 352e 3920 3233 342c 2d35 03,-605.9 234,-5\n-000093b0: 3435 2e38 3320 3230 342e 3535 2c2d 3438 45.83 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3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-000094b0: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat</titl\n-000094c0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n-000094d0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-000094e0: 653d 2262 6c61 636b 2220 6378 3d22 3937 e=\"black\" cx=\"97\n-000094f0: 3522 2063 793d 222d 3334 332e 3739 2220 5\" cy=\"-343.79\" \n-00009500: 7278 3d22 3334 2e38 2220 7279 3d22 3133 rx=\"34.8\" ry=\"13\n-00009510: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n-00009520: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n-00009530: 2220 783d 2239 3735 2220 793d 222d 3334 \" x=\"975\" y=\"-34\n-00009540: 312e 3239 2220 666f 6e74 2d66 616d 696c 1.29\" font-famil\n-00009550: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n-00009560: 742d 7369 7a65 3d22 3130 2e30 3022 3e63 t-size=\"10.00\">c\n-00009570: 6f6d 7061 743c 2f74 6578 743e 0a3c 2f67 ompat</text>.</g\n-00009580: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00009590: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-000095a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000095b0: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n-000095c0: 6174 202d 2d3e 0a3c 6720 6964 3d22 6564 at -->.<g id=\"ed\n-000095d0: 6765 3532 2220 636c 6173 733d 2265 6467 ge52\" class=\"edg\n-000095e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000095f0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00009600: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00009610: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00009620: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n-00009630: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00009640: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00009650: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00009660: 6179 3d22 352c 3222 2064 3d22 4d38 3232 ay=\"5,2\" d=\"M822\n-00009670: 2e34 342c 2d31 3032 322e 3234 4338 3136 .44,-1022.24C816\n-00009680: 2e32 342c 2d31 3031 322e 3820 3830 382e .24,-1012.8 808.\n-00009690: 3233 2c2d 3939 392e 3132 2038 3034 2c2d 23,-999.12 804,-\n-000096a0: 3938 352e 3932 2037 3935 2e34 332c 2d39 985.92 795.43,-9\n-000096b0: 3539 2e31 3420 3739 382e 3738 2c2d 3935 59.14 798.78,-95\n-000096c0: 312e 3131 2037 3937 2c2d 3932 332e 3035 1.11 797,-923.05\n-000096d0: 2037 3839 2e31 362c 2d37 3939 2e35 3520 789.16,-799.55 \n-000096e0: 3737 332e 3038 2c2d 3736 342e 3533 2038 773.08,-764.53 8\n-000096f0: 3034 2c2d 3634 342e 3720 3833 332e 3937 04,-644.7 833.97\n-00009700: 2c2d 3532 382e 3537 2039 3231 2e35 362c ,-528.57 921.56,\n-00009710: 2d34 3130 2e37 3420 3935 382e 3339 2c2d -410.74 958.39,-\n-00009720: 3336 342e 3833 222f 3e0a 3c70 6f6c 7967 364.83\"/>...<\n-000097a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000097b0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000097c0: 6d75 6c61 746f 7220 2d2d 3e0a 3c67 2069 mulator -->..\n-000097f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00009800: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00009810: 746f 723c 2f74 6974 6c65 3e0a 3c67 2069 tor.\n-00009890: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-00009940: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00009950: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......module\n-000099e0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-000099f0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-00009a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00009a10: 6f64 756c 6172 7369 6d75 6c61 746f 723c odularsimulator<\n-00009a20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00009a30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00009a40: 3d22 7265 6422 2064 3d22 4d38 3230 2e39 =\"red\" d=\"M820.9\n-00009a50: 322c 2d31 3032 322e 3634 4338 3038 2e37 2,-1022.64C808.7\n-00009a60: 2c2d 3130 3030 2e39 3420 3739 322c 2d39 ,-1000.94 792,-9\n-00009a70: 3532 2e38 3420 3739 322c 2d39 3130 2e36 52.84 792,-910.6\n-00009a80: 3220 3739 322c 2d39 3130 2e36 3220 3739 2 792,-910.62 79\n-00009a90: 322c 2d39 3130 2e36 3220 3739 322c 2d37 2,-910.62 792,-7\n-00009aa0: 3230 2e30 3120 3739 322c 2d35 3832 2e33 20.01 792,-582.3\n-00009ab0: 3920 3933 392e 3633 2c2d 3436 372e 3037 9 939.63,-467.07\n-00009ac0: 2031 3030 352e 3832 2c2d 3432 342e 3836 1005.82,-424.86\n-00009ad0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00009ae0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n-00009af0: 7265 6422 2070 6f69 6e74 733d 2231 3030 red\" points=\"100\n-00009b00: 372e 3935 2c2d 3432 372e 3635 2031 3031 7.95,-427.65 101\n-00009b10: 342e 3539 2c2d 3431 392e 3420 3130 3034 4.59,-419.4 1004\n-00009b20: 2e32 352c 2d34 3231 2e37 3120 3130 3037 .25,-421.71 1007\n-00009b30: 2e39 352c 2d34 3237 2e36 3522 2f3e 0a3c .95,-427.65\"/>.<\n-00009b40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00009b50: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00009b60: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-00009b70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00009b80: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n-00009b90: 2265 6467 6535 3122 2063 6c61 7373 3d22 \"edge51\" class=\"\n-00009ba0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00009bb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00009bc0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-00009bd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00009be0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-00009bf0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00009c00: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-00009c10: 2220 643d 224d 3835 362e 3237 2c2d 3130 \" d=\"M856.27,-10\n-00009c20: 3330 2e31 3743 3934 382e 3232 2c2d 3130 30.17C948.22,-10\n-00009c30: 3135 2e38 2031 3236 332e 3037 2c2d 3936 15.8 1263.07,-96\n-00009c40: 362e 3920 3133 3535 2c2d 3932 332e 3035 6.9 1355,-923.05\n-00009c50: 2031 3431 312e 3935 2c2d 3839 352e 3839 1411.95,-895.89\n-00009c60: 2031 3431 342e 3039 2c2d 3837 302e 3538 1414.09,-870.58\n-00009c70: 2031 3436 352c 2d38 3333 2e33 3120 3134 1465,-833.31 14\n-00009c80: 3831 2e31 362c 2d38 3231 2e34 3820 3135 81.16,-821.48 15\n-00009c90: 3030 2e30 352c 2d38 3039 2e31 3420 3135 00.05,-809.14 15\n-00009ca0: 3135 2e39 2c2d 3739 392e 3837 222f 3e0a 15.9,-799.87\"/>.\n-00009cb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n-00009cc0: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n-00009cd0: 2070 6f69 6e74 733d 2231 3531 372e 3836 points=\"1517.86\n-00009ce0: 2c2d 3830 322e 3738 2031 3532 342e 3833 ,-802.78 1524.83\n-00009cf0: 2c2d 3739 342e 3820 3135 3134 2e34 312c ,-794.8 1514.41,\n-00009d00: 2d37 3936 2e36 3920 3135 3137 2e38 362c -796.69 1517.86,\n-00009d10: 2d38 3032 2e37 3822 2f3e 0a3c 2f67 3e0a 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6473 7061 6e3c _gromacs_mdspan<\n-00009ff0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n-0000a1f0: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n-0000a200: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000a210: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0000a220: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh......modul\n-0000a5c0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000a5d0: 7870 7265 7072 6f63 6573 733c 2f74 6974 xpreprocess</tit\n-0000a5e0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-0000a5f0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0000a600: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n-0000a610: 3535 3722 2063 793d 222d 3132 3233 2e39 557\" cy=\"-1223.9\n-0000a620: 3722 2072 783d 2235 382e 3838 2220 7279 7\" rx=\"58.88\" ry\n-0000a630: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0000a640: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0000a650: 6464 6c65 2220 783d 2231 3535 3722 2079 ddle\" x=\"1557\" y\n-0000a660: 3d22 2d31 3232 312e 3437 2220 666f 6e74 =\"-1221.47\" font\n-0000a670: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n-0000a680: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n-0000a690: 2e30 3022 3e67 6d78 7072 6570 726f 6365 .00\">gmxpreproce\n-0000a6a0: 7373 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ss</text>.</g>.<\n-0000a6b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000a6c0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0000a6d0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0000a6e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000a6f0: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964 gmxana -->.<g id\n-0000a700: 3d22 6564 6765 3731 2220 636c 6173 733d =\"edge71\" class=\n-0000a710: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0000a720: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000a730: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-0000a740: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000a750: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-0000a760: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a......module_\n-0000a8c0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0000a8d0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0000a8e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000a8f0: 6d61 6373 5f69 6d64 3c2f 7469 746c 653e macs_imd\n-0000a900: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-0000aad0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-0000aae0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-0000aaf0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000ab00: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility......\n-0000acb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000acc0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-0000acd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000ace0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-0000acf0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-0000ad00: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+000081e0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+000081f0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+00008200: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00008210: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00008220: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty.\n+00008330: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+00008400: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00008410: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+00008420: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s...t\n+00008550: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+00008560: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f s......module_src_gro\n+00008600: 6d61 6373 5f74 7261 6a65 6374 6f72 7961 macs_trajectorya\n+00008610: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n+00008620: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008630: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline......\n+000087b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000087c0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+000087d0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+000087e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000087f0: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n+00008800: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+00008880: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00008890: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+000088a0: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+000088b0: 3936 352e 3635 2c2d 3130 3236 2e34 3420 965.65,-1026.44 \n+000088c0: 3937 362e 3234 2c2d 3130 3236 2e31 3520 976.24,-1026.15 \n+000088d0: 3936 372e 3738 2c2d 3130 3139 2e37 3820 967.78,-1019.78 \n+000088e0: 3936 352e 3635 2c2d 3130 3236 2e34 3422 965.65,-1026.44\"\n+000088f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....mod\n+00008970: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008980: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+00008990: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+000089a0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+000089b0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio.....\n+00008b30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00008b40: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n+00008b50: 7374 6963 733c 2f74 6974 6c65 3e0a 3c65 stics..statis\n+00008c10: 7469 6373 3c2f 7465 7874 3e0a 3c2f 673e tics.\n+00008c20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+00008ca0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00008cb0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00008cc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008cd0: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n+00008ce0: 7374 6963 733c 2f74 6974 6c65 3e0a 3c70 stics......module\n+00008e60: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00008e70: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00008e80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008e90: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+00008ea0: 6570 726f 6365 7373 3c2f 7469 746c 653e eprocess\n+00008eb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00009000: 0a3c 6720 6964 3d22 6e6f 6465 3330 2220 ..module_src_\n+00009030: 6772 6f6d 6163 735f 616e 616c 7973 6973 gromacs_analysis\n+00009040: 6461 7461 3c2f 7469 746c 653e 0a3c 6720 data...<\n+00009110: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00009120: 3d22 6d69 6464 6c65 2220 783d 2238 3537 =\"middle\" x=\"857\n+00009130: 2220 793d 222d 3930 372e 3132 2220 666f \" y=\"-907.12\" fo\n+00009140: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00009150: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00009160: 3130 2e30 3022 3e61 6e61 6c79 7369 7364 10.00\">analysisd\n+00009170: 6174 613c 2f74 6578 743e 0a3c 2f61 3e0a ata..\n+00009180: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ..\n+000091e0: 0a3c 6720 6964 3d22 6564 6765 3335 2220 ..module_src_\n+00009210: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00009220: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+00009230: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00009240: 6f6d 6163 735f 616e 616c 7973 6973 6461 omacs_analysisda\n+00009250: 7461 3c2f 7469 746c 653e 0a3c 7061 7468 ta.....\n+00009370: 3c67 2069 643d 226e 6f64 6533 3522 2063 .module_src_g\n+000093a0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n+000093b0: 6569 6f3c 2f74 6974 6c65 3e0a 3c67 2069 eio...coordinate\n+000094e0: 696f 3c2f 7465 7874 3e0a 3c2f 613e 0a3c io..<\n+000094f0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>...\n+00009550: 3c67 2069 643d 2265 6467 6533 3722 2063 .module_src_g\n+00009580: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00009590: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000095a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000095b0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+000095c0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......mod\n+00009730: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00009740: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+00009750: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+00009760: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+00009770: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom.\n+000098b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...<\n+00009920: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009930: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00009940: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009950: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+00009960: 696d 756c 6174 6f72 202d 2d3e 0a3c 6720 imulator -->..module_src_grom\n+000099a0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+000099b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000099c0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+000099d0: 6c61 746f 723c 2f74 6974 6c65 3e0a 3c70 lator......module_\n+00009b80: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00009b90: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00009ba0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00009bb0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+00009bc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00009cf0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00009d70: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00009d80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00009d90: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+00009da0: 656e 743c 2f74 6974 6c65 3e0a 3c70 6174 ent......\n+00009f10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00009f20: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00009f30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00009f40: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00009f50: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......\n+0000a110: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000a120: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+0000a130: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000a140: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+0000a150: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000a160: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000a170: 6266 6266 2220 643d 224d 3132 3036 2e36 bfbf\" d=\"M1206.6\n+0000a180: 372c 2d32 3932 2e30 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fill=\"#bf\n+0000a270: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0000a280: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+0000a290: 3033 382e 3938 2c2d 3832 322e 3820 3130 038.98,-822.8 10\n+0000a2a0: 3430 2e39 342c 2d38 3333 2e32 3120 3130 40.94,-833.21 10\n+0000a2b0: 3435 2e39 2c2d 3832 332e 3835 2031 3033 45.9,-823.85 103\n+0000a2c0: 382e 3938 2c2d 3832 322e 3822 2f3e 0a3c 8.98,-822.8\"/>.<\n+0000a2d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000a2e0: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0000a2f0: 7261 696e 7420 2d2d 3e0a 3c67 2069 643d raint -->.<g id=\n+0000a300: 226e 6f64 6531 3522 2063 6c61 7373 3d22 \"node15\" class=\"\n+0000a310: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+0000a320: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000a330: 5f72 6573 7472 6169 6e74 3c2f 7469 746c _restraint</titl\n+0000a340: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+0000a350: 3135 223e 3c61 2078 6c69 6e6b 3a68 7265 15\"><a xlink:hre\n+0000a360: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+0000a370: 5f5f 7265 7374 7261 696e 742e 7868 746d __restraint.xhtm\n+0000a380: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n+0000a390: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7265 xlink:title=\"re\n+0000a3a0: 7374 7261 696e 7422 3e0a 3c65 6c6c 6970 straint\">.<ellip\n+0000a3b0: 7365 2066 696c 6c3d 226e 6f6e 6522 2073 se fill=\"none\" s\n+0000a3c0: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+0000a3d0: 3d22 3136 3137 2220 6379 3d22 2d32 3138 =\"1617\" cy=\"-218\n+0000a3e0: 2e30 3522 2072 783d 2233 362e 3534 2220 .05\" rx=\"36.54\" \n+0000a3f0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+0000a400: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+0000a410: 6d69 6464 6c65 2220 783d 2231 3631 3722 middle\" x=\"1617\"\n+0000a420: 2079 3d22 2d32 3135 2e35 3522 2066 6f6e y=\"-215.55\" fon\n+0000a430: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+0000a440: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+0000a450: 302e 3030 223e 7265 7374 7261 696e 743c 0.00\">restraint<\n+0000a460: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n+0000a470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000a480: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000a490: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+0000a4a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+0000a4b0: 6573 7472 6169 6e74 202d 2d3e 0a3c 6720 estraint -->.<g \n+0000a4c0: 6964 3d22 6564 6765 3631 2220 636c 6173 id=\"edge61\" clas\n+0000a4d0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0000a4e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000a4f0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+0000a500: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000a510: 6d61 6373 5f72 6573 7472 6169 6e74 3c2f macs_restraint</\n+0000a520: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000a530: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000a540: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000a550: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0000a560: 2064 3d22 4d31 3235 322e 3538 2c2d 3237 d=\"M1252.58,-27\n+0000a570: 352e 3439 4331 3332 302e 372c 2d32 3634 5.49C1320.7,-264\n+0000a580: 2e39 3420 3134 3932 2e39 382c 2d32 3338 .94 1492.98,-238\n+0000a590: 2e32 3520 3135 3733 2e38 342c 2d32 3235 .25 1573.84,-225\n+0000a5a0: 2e37 3322 2f3e 0a3c 706f 6c79 676f 6e20 .73\"/>.<polygon \n+0000a5b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0000a5c0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0000a5d0: 706f 696e 7473 3d22 3135 3734 2e38 322c points=\"1574.82,\n+0000a5e0: 2d32 3239 2e31 3220 3135 3834 2e31 362c -229.12 1584.16,\n+0000a5f0: 2d32 3234 2e31 3320 3135 3733 2e37 342c -224.13 1573.74,\n+0000a600: 2d32 3232 2e32 2031 3537 342e 3832 2c2d -222.2 1574.82,-\n+0000a610: 3232 392e 3132 222f 3e0a 3c2f 673e 0a3c 229.12\"/>.</g>.<\n+0000a620: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000a630: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0000a640: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a650: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+0000a660: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+0000a670: 6534 3722 2063 6c61 7373 3d22 6564 6765 e47\" class=\"edge\n+0000a680: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000a690: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0000a6a0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+0000a6b0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+0000a6c0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+0000a6d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+0000a830: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+0000a8f0: 6720 6964 3d22 6564 6765 3630 2220 636c g id=\"edge60\" cl\n+0000a900: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000a920: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0000a930: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000a940: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f romacs_pulling....\n+0000aa50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+0000aa70: 3c67 2069 643d 226e 6f64 6532 3322 2063 .module_src_g\n+0000aaa0: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c romacs_imd..\n+0000ab60: 0a3c 7465 7874 2074 6578 742d 616e 6368 .imd...<\n+0000abd0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n+0000ac40: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000ac50: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+0000ac60: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+0000ac70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module\n+0000ade0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0000adf0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+0000ae00: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000ae10: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_grom\n-0000af90: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-0000afa0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000afb0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0000afc0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld......module_src_gro\n-0000b190: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-0000b1a0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-0000b1b0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0000b1c0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio.\n-0000b320: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-0000b3e0: 0a3c 6720 6964 3d22 6564 6765 3733 2220 ..module_src_\n-0000b410: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-0000b420: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-0000b430: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000b440: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft......mod\n-0000b650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b660: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-0000b670: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b680: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f _gromacs_mdrun</\n-0000b690: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000b6a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000b6b0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0000b6c0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000b6d0: 2064 3d22 4d31 3535 322e 3033 2c2d 3132 d=\"M1552.03,-12\n-0000b6e0: 3130 2e33 3743 3135 3438 2e33 342c 2d31 10.37C1548.34,-1\n-0000b6f0: 3230 302e 3639 2031 3534 332e 3339 2c2d 200.69 1543.39,-\n-0000b700: 3131 3836 2e39 3120 3135 3430 2c2d 3131 1186.91 1540,-11\n-0000b710: 3734 2e35 3320 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1268.36,-491.48\n-0000b800: 2031 3237 332e 3138 2c2d 3438 362e 3422 1273.18,-486.4\"\n-0000b810: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000b820: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b830: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-0000b840: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b850: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n-0000b860: 2d3e 0a3c 6720 6964 3d22 6564 6765 3735 ->.<g id=\"edge75\n-0000b870: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000b880: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000b890: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-0000b8a0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-0000b8b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b8c0: 6373 5f6e 626e 786d 3c2f 7469 746c 653e cs_nbnxm\n-0000b8d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-0000bb00: 3c67 2069 643d 2265 6467 6536 3222 2063 .module_src_g\n-0000bb30: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0000bb40: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0000bb50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000bb60: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces..\n-0000bd40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n-0000be30: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0000be40: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0000be50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000be60: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options</ti\n-0000be70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000be80: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000be90: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000bea0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000beb0: 3d22 4d31 3439 382e 3232 2c2d 3132 3232 =\"M1498.22,-1222\n-0000bec0: 2e38 4331 3234 322e 3037 2c2d 3132 3231 .8C1242.07,-1221\n-0000bed0: 2e38 3320 3233 332e 3735 2c2d 3132 3135 .83 233.75,-1215\n-0000bee0: 2e34 3220 3138 312c 2d31 3137 342e 3533 .42 181,-1174.53\n-0000bef0: 2037 352e 3433 2c2d 3130 3932 2e37 2031 75.43,-1092.7 1\n-0000bf00: 372c 2d37 3239 2e38 3420 3137 2c2d 3539 7,-729.84 17,-59\n-0000bf10: 362e 3237 2031 372c 2d35 3936 2e32 3720 6.27 17,-596.27 \n-0000bf20: 3137 2c2d 3539 362e 3237 2031 372c 2d31 17,-596.27 17,-1\n-0000bf30: 3534 2e31 3820 3137 2c2d 3131 342e 3337 54.18 17,-114.37\n-0000bf40: 2034 322e 3434 2c2d 3733 2e39 3420 3630 42.44,-73.94 60\n-0000bf50: 2e31 392c 2d35 302e 3537 222f 3e0a 3c70 .19,-50.57\"/>.<p\n-0000bf60: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-0000bf70: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-0000bf80: 3832 6663 6322 2070 6f69 6e74 733d 2236 82fcc\" points=\"6\n-0000bf90: 332e 3132 2c2d 3532 2e35 3120 3636 2e35 3.12,-52.51 66.5\n-0000bfa0: 352c 2d34 322e 3439 2035 372e 3632 2c2d 5,-42.49 57.62,-\n-0000bfb0: 3438 2e31 3820 3633 2e31 322c 2d35 322e 48.18 63.12,-52.\n-0000bfc0: 3531 222f 3e0a 3c2f 673e 0a3c 212d 2d20 51\"/>.</g>.<!-- \n-0000bfd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000bfe0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-0000bff0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000c000: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0000c010: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n-0000c020: 6765 3633 2220 636c 6173 733d 2265 6467 ge63\" class=\"edg\n-0000c030: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000c040: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000c050: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-0000c060: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000c070: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n-0000c080: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000c090: 3d22 6e6f 6e65 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1812,-644.7 1\n-0000c180: 3738 352e 372c 2d36 3133 2e30 3420 3137 785.7,-613.04 17\n-0000c190: 3739 2e30 392c 2d36 3033 2e33 3520 3137 79.09,-603.35 17\n-0000c1a0: 3434 2c2d 3538 312e 3833 2031 3731 352e 44,-581.83 1715.\n-0000c1b0: 3133 2c2d 3536 342e 3132 2031 3637 382e 13,-564.12 1678.\n-0000c1c0: 3738 2c2d 3535 312e 3332 2031 3635 312e 78,-551.32 1651.\n-0000c1d0: 3639 2c2d 3534 332e 3334 222f 3e0a 3c70 69,-543.34\"/>.<p\n-0000c1e0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-0000c1f0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-0000c200: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n-0000c210: 3635 322e 3338 2c2d 3533 392e 3920 3136 652.38,-539.9 16\n-0000c220: 3431 2e38 2c2d 3534 302e 3532 2031 3635 41.8,-540.52 165\n-0000c230: 302e 3435 2c2d 3534 362e 3633 2031 3635 0.45,-546.63 165\n-0000c240: 322e 3338 2c2d 3533 392e 3922 2f3e 0a3c 2.38,-539.9\"/>.<\n-0000c250: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000c260: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0000c270: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0000c280: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000c290: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n-0000c2a0: 0a3c 6720 6964 3d22 6564 6765 3635 2220 .<g id=\"edge65\" \n-0000c2b0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0000c2c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0000c2d0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-0000c2e0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-0000c2f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c300: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-0000c310: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n-0000c3d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000c3e0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0000c3f0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0000c400: 3135 3733 2e39 312c 2d37 3939 2e37 3120 1573.91,-799.71 \n-0000c410: 3135 3633 2e39 312c 2d37 3936 2e32 3120 1563.91,-796.21 \n-0000c420: 3135 3639 2e35 352c 2d38 3035 2e31 3820 1569.55,-805.18 \n-0000c430: 3135 3733 2e39 312c 2d37 3939 2e37 3122 1573.91,-799.71\"\n-0000c440: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-0000c4b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000c4c0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-0000c4d0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-0000c4e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000c4f0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-0000c500: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c510: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0000c520: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-0000c530: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0000c540: 3439 382e 3231 2c2d 3132 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446.86,-353.26\"\n-0000c630: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000c640: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-0000c650: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n-0000c660: 3434 382e 3037 2c2d 3335 362e 3535 2034 448.07,-356.55 4\n-0000c670: 3536 2e37 382c 2d33 3530 2e35 3120 3434 56.78,-350.51 44\n-0000c680: 362e 3231 2c2d 3334 392e 3831 2034 3438 6.21,-349.81 448\n-0000c690: 2e30 372c 2d33 3536 2e35 3522 2f3e 0a3c .07,-356.55\"/>.<\n-0000c6a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000c6b0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0000c6c0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0000c6d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000c6e0: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a macs_gmxlib -->.\n-0000c6f0: 3c67 2069 643d 2265 6467 6536 3622 2063 <g id=\"edge66\" c\n-0000c700: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0000c710: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0000c720: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0000c730: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000af50: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->.<g\n+0000af60: 2069 643d 2265 6467 6534 3522 2063 6c61 id=\"edge45\" cla\n+0000af70: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000af80: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000af90: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0000afa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000afb0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n+0000afc0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000afd0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000afe0: 3238 3266 6363 2220 643d 224d 3132 3533 282fcc\" d=\"M1253\n+0000aff0: 2e34 362c 2d32 3835 2e33 3643 3132 3731 .46,-285.36C1271\n+0000b000: 2e32 382c 2d32 3837 2e39 2031 3239 342e .28,-287.9 1294.\n+0000b010: 3031 2c2d 3239 312e 3431 2031 3331 342c 01,-291.41 1314,\n+0000b020: 2d32 3934 2e33 3520 3134 3139 2e31 312c -294.35 1419.11,\n+0000b030: 2d33 3039 2e38 3420 3135 3432 2e35 2c2d -309.84 1542.5,-\n+0000b040: 3332 372e 3032 2031 3630 352e 3932 2c2d 327.02 1605.92,-\n+0000b050: 3333 362e 3138 222f 3e0a 3c70 6f6c 7967 336.18\"/>.<polyg\n+0000b060: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+0000b070: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0000b080: 6322 2070 6f69 6e74 733d 2231 3630 352e c\" points=\"1605.\n+0000b090: 3534 2c2d 3333 392e 3636 2031 3631 352e 54,-339.66 1615.\n+0000b0a0: 3934 2c2d 3333 372e 3633 2031 3630 362e 94,-337.63 1606.\n+0000b0b0: 3535 2c2d 3333 322e 3733 2031 3630 352e 55,-332.73 1605.\n+0000b0c0: 3534 2c2d 3333 392e 3636 222f 3e0a 3c2f 54,-339.66\"/>.</\n+0000b0d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000b0e0: 7263 5f67 726f 6d61 6373 5f6d 696d 6963 rc_gromacs_mimic\n+0000b0f0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n+0000b100: 3237 2220 636c 6173 733d 226e 6f64 6522 27\" class=\"node\"\n+0000b110: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000b120: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+0000b130: 633c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 c..\n+0000b190: 3c74 6578 7420 7465 7874 2d61 6e63 686f mimic....module_src_gro\n+0000b270: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0000b280: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000b290: 6f6d 6163 735f 6d69 6d69 633c 2f74 6974 omacs_mimic...\n+0000b3b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0000b410: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000b420: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000b430: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000b440: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0000b450: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d.....\n+0000b5f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000b600: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000b610: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000b620: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+0000b630: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n+0000b640: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000b650: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0000b660: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0000b670: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0000b680: 3132 3433 2e38 2c2d 3237 302e 3534 4331 1243.8,-270.54C1\n+0000b690: 3237 382e 3234 2c2d 3235 342e 3631 2031 278.24,-254.61 1\n+0000b6a0: 3335 312e 3733 2c2d 3232 322e 3239 2031 351.73,-222.29 1\n+0000b6b0: 3431 372c 2d32 3034 2e36 3120 3135 3032 417,-204.61 1502\n+0000b6c0: 2e32 2c2d 3138 312e 3533 2031 3630 332e .2,-181.53 1603.\n+0000b6d0: 3932 2c2d 3136 382e 3134 2031 3636 352e 92,-168.14 1665.\n+0000b6e0: 3936 2c2d 3136 312e 3522 2f3e 0a3c 706f 96,-161.5\"/>.<po\n+0000b6f0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0000b700: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0000b710: 3266 6363 2220 706f 696e 7473 3d22 3136 2fcc\" points=\"16\n+0000b720: 3636 2e33 372c 2d31 3634 2e39 3720 3136 66.37,-164.97 16\n+0000b730: 3735 2e39 352c 2d31 3630 2e34 3520 3136 75.95,-160.45 16\n+0000b740: 3635 2e36 342c 2d31 3538 2e30 3120 3136 65.64,-158.01 16\n+0000b750: 3636 2e33 372c 2d31 3634 2e39 3722 2f3e 66.37,-164.97\"/>\n+0000b760: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000b770: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000b780: 706c 6965 645f 666f 7263 6573 202d 2d3e plied_forces -->\n+0000b790: 0a3c 6720 6964 3d22 6e6f 6465 3337 2220 .<g id=\"node37\" \n+0000b7a0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n+0000b7b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000b7c0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000b7d0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+0000b7e0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+0000b7f0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+0000b800: 6c61 636b 2220 6378 3d22 3732 3722 2063 lack\" cx=\"727\" c\n+0000b810: 793d 222d 3231 382e 3035 2220 7278 3d22 y=\"-218.05\" rx=\"\n+0000b820: 3536 2e36 3422 2072 793d 2231 332e 3337 56.64\" ry=\"13.37\n+0000b830: 222f 3e0a 3c74 6578 7420 7465 7874 2d61 \"/>.appl\n+0000b890: 6965 645f 666f 7263 6573 3c2f 7465 7874 ied_forces...<\n+0000ba50: 6720 6964 3d22 6e6f 6465 3338 2220 636c g id=\"node38\" cl\n+0000ba60: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+0000ba80: 6f6d 6163 735f 7377 6170 3c2f 7469 746c omacs_swap..\n+0000baf0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .swa\n+0000bba0: 703c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f p......mo\n+0000bc20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000bc30: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+0000bc40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000bc50: 735f 7377 6170 3c2f 7469 746c 653e 0a3c s_swap.<\n+0000bc60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000bc70: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000bc80: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000bc90: 6179 3d22 352c 3222 2064 3d22 4d31 3139 ay=\"5,2\" d=\"M119\n+0000bca0: 342e 3931 2c2d 3237 352e 3934 4331 3134 4.91,-275.94C114\n+0000bcb0: 362e 312c 2d32 3638 2e39 3620 3130 3434 6.1,-268.96 1044\n+0000bcc0: 2e38 332c 2d32 3533 2e31 3720 3936 312c .83,-253.17 961,\n+0000bcd0: 2d32 3331 2e34 3820 3935 392e 3038 2c2d -231.48 959.08,-\n+0000bce0: 3233 302e 3938 2039 3537 2e31 322c 2d32 230.98 957.12,-2\n+0000bcf0: 3330 2e34 3420 3935 352e 3134 2c2d 3232 30.44 955.14,-22\n+0000bd00: 392e 3836 222f 3e0a 3c70 6f6c 7967 6f6e 9.86\"/>....<\n+0000bdc0: 6720 6964 3d22 6564 6765 3539 2220 636c g id=\"edge59\" cl\n+0000bdd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000bdf0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0000be00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000be10: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm......<\n+0000c000: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000c010: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+0000c020: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000c030: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+0000c040: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0000c1a0: 0a3c 6720 6964 3d22 6564 6765 3436 2220 ..module_src_\n+0000c1d0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0000c1e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c1f0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+0000c200: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n+0000c330: 0a3c 6720 6964 3d22 6564 6765 3537 2220 ..module_src_\n+0000c360: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0000c370: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c380: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+0000c390: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e.....\n+0000c510: 3c67 2069 643d 2265 6467 6534 3322 2063 .module_src_g\n+0000c540: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0000c550: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000c560: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0000c570: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n+0000c6d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n 0000c740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c750: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-0000c760: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000c770: 2073 7472 6f6b 653d 2223 6266 6266 6266 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3730 2e39 2031 3539 392e 362c 2d31 3630 70.9 1599.6,-160\n-0000c870: 2e30 3622 2f3e 0a3c 706f 6c79 676f 6e20 .06\"/>...\n-0000c8f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-0000c960: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c970: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-0000c980: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000c990: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0000c9a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n-0000cb40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-0000cbc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000cbd0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-0000cbe0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000cbf0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000cc00: 6965 645f 666f 7263 6573 5f61 7768 3c2f ied_forces_awh</\n-0000cc10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000cc20: 6c3d 226e 6f6e 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2069 643d 2265 6467 6537 3622 2063 <g id=\"edge76\" c\n-0000ce00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0000ce10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0000ce20: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0000ce30: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0000ce40: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n-0000ce50: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...<\n-0000cfb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-0000d020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0000d030: 6674 2623 3435 3b26 6774 3b6d 6f64 756c ft->modul\n-0000d040: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-0000d050: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-0000d060: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000d070: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-0000d080: 224d 3634 362e 3833 2c2d 3636 372e 3635 \"M646.83,-667.65\n-0000d090: 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7426 src_gromacs_fft&\n-0000d1e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000d1f0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-0000d200: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils....<\n-0000d330: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000d340: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-0000d350: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000d360: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n-0000d370: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->..mod\n-0000d3a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d3b0: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n-0000d3c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000d3d0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n-0000d3e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000d3f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000d400: 7265 6422 2064 3d22 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5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n-0000d830: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000d840: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c c_gromacs_nbnxm<\n-0000d850: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....<\n-0000d9a0: 6720 6964 3d22 6e6f 6465 3336 2220 636c g id=\"node36\" cl\n-0000d9b0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0000d9d0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility...<\n-0000daa0: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-0000dab0: 3d22 6d69 6464 6c65 2220 783d 2231 3133 =\"middle\" x=\"113\n-0000dac0: 3322 2079 3d22 2d39 3037 2e31 3222 2066 3\" y=\"-907.12\" f\n-0000dad0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-0000dae0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-0000daf0: 2231 302e 3030 223e 7574 696c 6974 793c \"10.00\">utility<\n-0000db00: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n-0000db10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-0000db60: 6720 6964 3d22 6564 6765 3833 2220 636c g id=\"edge83\" cl\n-0000db70: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000db90: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n-0000dba0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000dbb0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0000dbc0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty...<\n-0000dcc0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-0000dd40: 6163 735f 6770 755f 7574 696c 7326 2334 acs_gpu_utils\n-0000dd50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000dd60: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0000dd70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0000def0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000df00: 5f6d 6174 6826 2334 353b 2667 743b 6d6f _math->mo\n-0000df10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000df20: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n-0000df30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-0000df90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-0000e1d0: 3c67 2069 643d 2265 6467 6539 3422 2063 .module_src_g\n-0000e200: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0000e210: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000e220: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd......modu\n-0000e3a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000e3b0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-0000e3c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000e3d0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n-0000e3e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000e3f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000e400: 3238 3266 6363 2220 643d 224d 3132 3430 282fcc\" d=\"M1240\n-0000e410: 2e30 332c 2d34 3832 2e31 3343 3131 3937 .03,-482.13C1197\n-0000e420: 2e34 2c2d 3532 312e 3631 2031 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1256.58,-966\n-0000e510: 2e31 222f 3e0a 3c2f 673e 0a3c 212d 2d20 .1\"/>.</g>.<!-- \n-0000e520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e530: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-0000e540: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000e550: 6163 735f 636f 6d6d 616e 646c 696e 6520 acs_commandline \n-0000e560: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538 -->.<g id=\"edge8\n-0000e570: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-0000e580: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000e590: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0000e5a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000e5b0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-0000e5c0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-0000e5d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-0000e660: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n-0000e740: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000e750: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-0000e760: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-0000e770: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald....<\n-0000e880: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000e890: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0000e8a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000e8b0: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n-0000e8c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3931 ->..\n-0000e8e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0000e8f0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-0000e900: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000e910: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0000e920: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o..<\n-0000ea10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000ea20: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" 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6d6f mdrun->mo\n-0000ed70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ed80: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n-0000ed90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000eda0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000edb0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0000edc0: 6179 3d22 352c 3222 2064 3d22 4d31 3235 ay=\"5,2\" d=\"M125\n-0000edd0: 392e 3432 2c2d 3435 362e 3531 4331 3236 9.42,-456.51C126\n-0000ede0: 392e 3834 2c2d 3434 312e 3632 2031 3238 9.84,-441.62 128\n-0000edf0: 382e 3138 2c2d 3431 352e 3531 2031 3330 8.18,-415.51 130\n-0000ee00: 342c 2d33 3933 2e32 3220 3133 3233 2e38 4,-393.22 1323.8\n-0000ee10: 392c 2d33 3635 2e32 2031 3332 342e 3931 9,-365.2 1324.91\n-0000ee20: 2c2d 3335 342e 3836 2031 3334 392c 2d33 ,-354.86 1349,-3\n-0000ee30: 3330 2e33 3520 3133 3837 2e36 392c 2d32 30.35 1387.69,-2\n-0000ee40: 3930 2e39 3920 3134 3431 2e32 342c 2d32 90.99 1441.24,-2\n-0000ee50: 3534 2e37 3720 3134 3732 2e37 382c 2d32 54.77 1472.78,-2\n-0000ee60: 3334 2e39 3122 2f3e 0a3c 706f 6c79 676f 34.91\"/>.....m\n+0000c940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000c950: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+0000c960: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c970: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0000c980: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061 mics...\n+0000ca80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+0000cad0: 6720 6964 3d22 6564 6765 3432 2220 636c g id=\"edge42\" cl\n+0000cae0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000cb00: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0000cb10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000cb20: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0000cb30: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...<\n+0000cc90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+0000ce80: 0a3c 6720 6964 3d22 6564 6765 3439 2220 ..module_src_\n+0000ceb0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0000cec0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ced0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0000cee0: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh....\n+0000d0b0: 0a3c 6720 6964 3d22 6564 6765 3636 2220 ..module_src_\n+0000d0e0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0000d0f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000d100: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0000d110: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......module_src_gro\n+0000d2b0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0000d2c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000d2d0: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft...\n+0000d4a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0000d510: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000d520: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0000d530: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0000d540: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio.....\n+0000d6c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000d6d0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0000d6e0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0000d6f0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0000d700: 6a65 6374 6f72 793c 2f74 6974 6c65 3e0a jectory.\n+0000d710: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0000d7c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000d7d0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000d7e0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000d7f0: 3331 332e 3037 2c2d 3433 302e 3837 2033 313.07,-430.87 3\n+0000d800: 3132 2e37 382c 2d34 3230 2e32 3820 3330 12.78,-420.28 30\n+0000d810: 362e 342c 2d34 3238 2e37 3420 3331 332e 6.4,-428.74 313.\n+0000d820: 3037 2c2d 3433 302e 3837 222f 3e0a 3c2f 07,-430.87\"/>....\n+0000d8a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000d8b0: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n+0000d8c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000d8d0: 6d61 6373 5f73 7461 7469 7374 6963 733c macs_statistics<\n+0000d8e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000d8f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000d900: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0000d910: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0000d920: 2220 643d 224d 3937 312e 3637 2c2d 3130 \" d=\"M971.67,-10\n+0000d930: 3238 2e31 3643 3934 382e 3937 2c2d 3130 28.16C948.97,-10\n+0000d940: 3231 2e37 3620 3931 392e 3435 2c2d 3130 21.76 919.45,-10\n+0000d950: 3039 2e32 3920 3930 352c 2d39 3835 2e39 09.29 905,-985.9\n+0000d960: 3220 3839 382e 3732 2c2d 3937 352e 3736 2 898.72,-975.76\n+0000d970: 2038 3939 2e31 342c 2d39 3639 2e34 3520 899.14,-969.45 \n+0000d980: 3930 352c 2d39 3539 2e30 3520 3931 342e 905,-959.05 914.\n+0000d990: 3236 2c2d 3934 322e 3632 2039 3331 2e36 26,-942.62 931.6\n+0000d9a0: 2c2d 3933 312e 3132 2039 3437 2e37 372c ,-931.12 947.77,\n+0000d9b0: 2d39 3233 2e34 3722 2f3e 0a3c 706f 6c79 -923.47\"/>.<poly\n+0000d9c0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0000d9d0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0000d9e0: 6363 2220 706f 696e 7473 3d22 3934 392e cc\" points=\"949.\n+0000d9f0: 3332 2c2d 3932 362e 3631 2039 3537 2e30 32,-926.61 957.0\n+0000da00: 392c 2d39 3139 2e34 2039 3436 2e35 322c 9,-919.4 946.52,\n+0000da10: 2d39 3230 2e31 3920 3934 392e 3332 2c2d -920.19 949.32,-\n+0000da20: 3932 362e 3631 222f 3e0a 3c2f 673e 0a3c 926.61\"/>.</g>.<\n+0000da30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000da40: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0000da50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000da60: 5f67 726f 6d61 6373 5f6d 6473 7061 6e20 _gromacs_mdspan \n+0000da70: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537 -->.<g id=\"edge7\n+0000da80: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+0000da90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000daa0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0000dab0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0000dac0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+0000dad0: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan.....<\n+0000dca0: 6720 6964 3d22 6564 6765 3639 2220 636c g id=\"edge69\" cl\n+0000dcb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000dcd0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+0000dce0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000dcf0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib......\n+0000deb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000dec0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+0000ded0: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a nctions.\n+0000dee0: 3c67 2069 643d 2261 5f6e 6f64 6532 3822 ..corr\n+0000e010: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n+0000e020: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......mo\n+0000e0b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e0c0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+0000e0d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e0e0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+0000e0f0: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a nctions.\n+0000e100: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n+0000e270: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0000e280: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+0000e290: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e2a0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces</t\n+0000e2b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000e2c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000e2d0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0000e2e0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000e2f0: 643d 224d 3130 3336 2e38 342c 2d31 3033 d=\"M1036.84,-103\n+0000e300: 322e 3938 4331 3133 372e 3433 2c2d 3130 2.98C1137.43,-10\n+0000e310: 3238 2e37 3120 3134 3236 2e39 342c 2d31 28.71 1426.94,-1\n+0000e320: 3031 342e 3233 2031 3531 372c 2d39 3835 014.23 1517,-985\n+0000e330: 2e39 3220 3136 3933 2e30 312c 2d39 3330 .92 1693.01,-930\n+0000e340: 2e36 2031 3737 332c 2d38 3433 2e36 3320 .6 1773,-843.63 \n+0000e350: 3137 3733 2c2d 3635 392e 3134 2031 3737 1773,-659.14 177\n+0000e360: 332c 2d36 3539 2e31 3420 3137 3733 2c2d 3,-659.14 1773,-\n+0000e370: 3635 392e 3134 2031 3737 332c 2d35 3934 659.14 1773,-594\n+0000e380: 2e32 3720 3137 3733 2c2d 3433 312e 3739 .27 1773,-431.79\n+0000e390: 2031 3734 332e 3339 2c2d 3339 332e 3232 1743.39,-393.22\n+0000e3a0: 2031 3732 382c 2d32 3331 2e34 3820 3137 1728,-231.48 17\n+0000e3b0: 3236 2e33 332c 2d32 3133 2e39 3120 3137 26.33,-213.91 17\n+0000e3c0: 3235 2e30 332c 2d31 3933 2e39 3920 3137 25.03,-193.99 17\n+0000e3d0: 3234 2e31 382c 2d31 3739 2e30 3522 2f3e 24.18,-179.05\"/>\n+0000e3e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000e3f0: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0000e400: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0000e410: 3d22 3137 3237 2e36 352c 2d31 3738 2e35 =\"1727.65,-178.5\n+0000e420: 3120 3137 3233 2e36 312c 2d31 3638 2e37 1 1723.61,-168.7\n+0000e430: 3220 3137 3230 2e36 362c 2d31 3738 2e38 2 1720.66,-178.8\n+0000e440: 3920 3137 3237 2e36 352c 2d31 3738 2e35 9 1727.65,-178.5\n+0000e450: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n+0000e460: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e470: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0000e480: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e490: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c acs_random -->.<\n+0000e4a0: 6720 6964 3d22 6564 6765 3638 2220 636c g id=\"edge68\" cl\n+0000e4b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000e4c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000e4d0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+0000e4e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000e4f0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+0000e500: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000e510: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000e520: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+0000e530: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0000e540: 3d22 4d39 3636 2e36 392c 2d31 3033 332e =\"M966.69,-1033.\n+0000e550: 3335 4338 3534 2e36 372c 2d31 3032 392e 35C854.67,-1029.\n+0000e560: 3836 2035 3038 2e34 2c2d 3130 3136 2e37 86 508.4,-1016.7\n+0000e570: 3820 3430 312c 2d39 3835 2e39 3220 3334 8 401,-985.92 34\n+0000e580: 322e 3735 2c2d 3936 392e 3138 2033 3232 2.75,-969.18 322\n+0000e590: 2e34 2c2d 3936 362e 3335 2032 3830 2c2d .4,-966.35 280,-\n+0000e5a0: 3932 332e 3035 2031 3838 2e30 392c 2d38 923.05 188.09,-8\n+0000e5b0: 3239 2e31 3820 3135 372c 2d34 3736 2e31 29.18 157,-476.1\n+0000e5c0: 3620 3135 372c 2d33 3434 2e37 3920 3135 6 157,-344.79 15\n+0000e5d0: 372c 2d33 3434 2e37 3920 3135 372c 2d33 7,-344.79 157,-3\n+0000e5e0: 3434 2e37 3920 3135 372c 2d32 3739 2e39 44.79 157,-279.9\n+0000e5f0: 3220 3135 372c 2d32 3432 2e34 3120 3137 2 157,-242.41 17\n+0000e600: 332e 3834 2c2d 3230 312e 3438 2031 3835 3.84,-201.48 185\n+0000e610: 2e36 372c 2d31 3737 2e33 3622 2f3e 0a3c .67,-177.36\"/>.<\n+0000e620: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+0000e630: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+0000e640: 636b 2220 706f 696e 7473 3d22 3138 382e ck\" points=\"188.\n+0000e650: 3831 2c2d 3137 382e 3920 3139 302e 3231 81,-178.9 190.21\n+0000e660: 2c2d 3136 382e 3420 3138 322e 3537 2c2d ,-168.4 182.57,-\n+0000e670: 3137 352e 3733 2031 3838 2e38 312c 2d31 175.73 188.81,-1\n+0000e680: 3738 2e39 222f 3e0a 3c2f 673e 0a3c 212d 78.9\"/>.</g>.<!-\n+0000e690: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000e6a0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0000e6b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000e6c0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n+0000e6d0: 3e0a 3c67 2069 643d 2265 6467 6537 3622 >.<g id=\"edge76\"\n+0000e6e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000e6f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000e700: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0000e710: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000e720: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0000e730: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......modu\n+0000e920: 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746c 653e 0a3c 7061 7468 es......<\n-0000f120: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000f130: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-0000f140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000f150: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-0000f160: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n-0000f2e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f2f0: 7461 736b 6173 7369 676e 6d65 6e74 3c2f taskassignment</\n-0000f300: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n-0000f310: 6e6f 6465 3236 223e 3c61 2078 6c69 6e6b node26\"><a xlink\n-0000f320: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n-0000f330: 6475 6c65 5f5f 7461 736b 6173 7369 676e dule__taskassign\n-0000f340: 6d65 6e74 2e78 6874 6d6c 2220 7461 7267 ment.xhtml\" targ\n-0000f350: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n-0000f360: 7469 746c 653d 2274 6173 6b61 7373 6967 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2c2d 3436 322e 3937 4331 3337 332e 58,-462.97C1373.\n-0000f540: 3232 2c2d 3434 332e 3839 2031 3638 352e 22,-443.89 1685.\n-0000f550: 3933 2c2d 3338 302e 3837 2031 3831 312e 93,-380.87 1811.\n-0000f560: 3831 2c2d 3335 352e 3522 2f3e 0a3c 706f 81,-355.5\"/>.<po\n-0000f570: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-0000f580: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-0000f590: 696e 7473 3d22 3138 3132 2e38 362c 2d33 ints=\"1812.86,-3\n-0000f5a0: 3538 2e38 3620 3138 3231 2e39 372c 2d33 58.86 1821.97,-3\n-0000f5b0: 3533 2e34 3620 3138 3131 2e34 382c 2d33 53.46 1811.48,-3\n-0000f5c0: 3532 2031 3831 322e 3836 2c2d 3335 382e 52 1812.86,-358.\n-0000f5d0: 3836 222f 3e0a 3c2f 673e 0a3c 212d 2d20 86\"/>.</g>.<!-- \n-0000f5e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000f5f0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-0000f600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000f610: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-0000f620: 6174 6f72 202d 2d3e 0a3c 6720 6964 3d22 ator -->.<g id=\"\n-0000f630: 6564 6765 3939 2220 636c 6173 733d 2265 edge99\" class=\"e\n-0000f640: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000f650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f660: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-0000f670: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000f680: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-0000f690: 723c 2f74 6974 6c65 3e0a 3c70 6174 6820 r..<\n-0000f700: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0000f710: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0000f720: 706f 696e 7473 3d22 3130 3830 2e30 332c points=\"1080.03,\n-0000f730: 2d34 3137 2e38 3920 3130 3639 2e34 342c -417.89 1069.44,\n-0000f740: 2d34 3138 2e33 3920 3130 3738 2e30 332c -418.39 1078.03,\n-0000f750: 2d34 3234 2e35 3920 3130 3830 2e30 332c -424.59 1080.03,\n-0000f760: 2d34 3137 2e38 3922 2f3e 0a3c 2f67 3e0a -417.89\"/>..\n-0000f770: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n-0000f900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000f910: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-0000f920: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000f930: 6163 735f 6d69 6d69 633c 2f74 6974 6c65 acs_mimic</title\n-0000f940: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000f950: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000f960: 6662 6622 2064 3d22 4d31 3233 362e 3134 fbf\" d=\"M1236.14\n-0000f970: 2c2d 3435 372e 3336 4331 3232 332e 3936 ,-457.36C1223.96\n-0000f980: 2c2d 3434 382e 3231 2031 3230 362e 3533 ,-448.21 1206.53\n-0000f990: 2c2d 3433 352e 3131 2031 3139 322e 3632 ,-435.11 1192.62\n-0000f9a0: 2c2d 3432 342e 3635 222f 3e0a 3c70 6f6c ,-424.65\"/>.<pol\n-0000f9b0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-0000f9c0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-0000f9d0: 6662 6622 2070 6f69 6e74 733d 2231 3139 fbf\" points=\"119\n-0000f9e0: 342e 3539 2c2d 3432 312e 3735 2031 3138 4.59,-421.75 118\n-0000f9f0: 342e 3439 2c2d 3431 382e 3534 2031 3139 4.49,-418.54 119\n-0000fa00: 302e 3338 2c2d 3432 372e 3335 2031 3139 0.38,-427.35 119\n-0000fa10: 342e 3539 2c2d 3432 312e 3735 222f 3e0a 4.59,-421.75\"/>.\n-0000fa20: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0000fa30: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000fa40: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-0000fa50: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-0000fa60: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->.<g id=\n-0000fa70: 2265 6467 6531 3039 2220 636c 6173 733d \"edge109\" class=\n-0000fa80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0000fa90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000faa0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-0000fab0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000fac0: 6373 5f6f 7074 696f 6e73 3c2f 7469 746c cs_options</titl\n-0000fad0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000fae0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0000faf0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0000fb00: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000fb10: 4d31 3232 302e 3035 2c2d 3436 382e 3038 M1220.05,-468.08\n-0000fb20: 4331 3035 352e 3037 2c2d 3436 352e 3538 C1055.07,-465.58\n-0000fb30: 2032 3835 2e31 332c 2d34 3532 2e32 2032 285.13,-452.2 2\n-0000fb40: 3437 2c2d 3432 302e 3039 2032 3135 2e37 47,-420.09 215.7\n-0000fb50: 342c 2d33 3933 2e37 3720 3234 302e 3639 4,-393.77 240.69\n-0000fb60: 2c2d 3336 382e 3835 2032 3237 2c2d 3333 ,-368.85 227,-33\n-0000fb70: 302e 3335 2031 3838 2e30 352c 2d32 3230 0.35 188.05,-220\n-0000fb80: 2e37 3820 3131 382e 3537 2c2d 3939 2e36 .78 118.57,-99.6\n-0000fb90: 3120 3839 2e39 312c 2d35 312e 3635 222f 1 89.91,-51.65\"/\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 322e 3734 2c2d 3439 2e35 3720 s=\"92.74,-49.57 \n-0000fbe0: 3834 2e35 392c 2d34 322e 3820 3836 2e37 84.59,-42.8 86.7\n-0000fbf0: 342c 2d35 332e 3138 2039 322e 3734 2c2d 4,-53.18 92.74,-\n-0000fc00: 3439 2e35 3722 2f3e 0a3c 2f67 3e0a 3c21 49.57\"/>.</g>.<!\n-0000fc10: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0000fc20: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-0000fc30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000fc40: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n-0000fc50: 3e0a 3c67 2069 643d 2265 6467 6538 3822 >.<g id=\"edge88\"\n-0000fc60: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000fc70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000fc80: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-0000fc90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000fca0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-0000fcb0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0000fdc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0000fe10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000fe20: 6373 5f72 6573 7472 6169 6e74 3c2f 7469 cs_restraint</ti\n-0000fe30: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n-0000fe40: 6465 3331 223e 3c61 2078 6c69 6e6b 3a68 de31\"><a xlink:h\n-0000fe50: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-0000fe60: 6c65 5f5f 7265 7374 7261 696e 742e 7868 le__restraint.xh\n-0000fe70: 746d 6c22 2074 6172 6765 743d 225f 746f tml\" target=\"_to\n-0000fe80: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22 p\" xlink:title=\"\n-0000fe90: 7265 7374 7261 696e 7422 3e0a 3c65 6c6c restraint\">.<ell\n-0000fea0: 6970 7365 2066 696c 6c3d 226e 6f6e 6522 ipse 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mdrun->mo\n-0000ff90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ffa0: 5f72 6573 7472 6169 6e74 202d 2d3e 0a3c _restraint -->.<\n-0000ffb0: 6720 6964 3d22 6564 6765 3130 3522 2063 g id=\"edge105\" c\n-0000ffc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0000ffd0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0000ffe0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0000fff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00010000: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00010010: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t.....\n-00010140: 3c67 2069 643d 226e 6f64 6533 3322 2063 .module_src_g\n-00010170: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00010180: 6479 6e61 6d69 6373 3c2f 7469 746c 653e dynamics\n-00010190: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-00010240: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-00010250: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 s....module_src_grom\n-000102e0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-000102f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010300: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-00010310: 6e61 6d69 6373 3c2f 7469 746c 653e 0a3c namics.<\n-00010320: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00010330: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00010340: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00010350: 6179 3d22 352c 3222 2064 3d22 4d31 3237 ay=\"5,2\" d=\"M127\n-00010360: 342e 3933 2c2d 3436 302e 3838 4331 3331 4.93,-460.88C131\n-00010370: 392e 3138 2c2d 3434 362e 3834 2031 3431 9.18,-446.84 141\n-00010380: 362e 3838 2c2d 3431 362e 3237 2031 3530 6.88,-416.27 150\n-00010390: 302c 2d33 3933 2e32 3220 3136 3039 2e39 0,-393.22 1609.9\n-000103a0: 392c 2d33 3632 2e37 3220 3136 3338 2e32 9,-362.72 1638.2\n-000103b0: 362c 2d33 3538 2e30 3120 3137 3439 2c2d 6,-358.01 1749,-\n-000103c0: 3333 302e 3335 2031 3739 382e 3433 2c2d 330.35 1798.43,-\n-000103d0: 3331 3820 3138 3534 2e39 312c 2d33 3034 318 1854.91,-304\n-000103e0: 2e30 3620 3138 3934 2e35 2c2d 3239 342e .06 1894.5,-294.\n-000103f0: 3332 222f 3e0a 3c70 6f6c 7967 6f6e 2066 32\"/>.....mod\n-000104c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000104d0: 6170 706c 6965 645f 666f 7263 6573 3c2f applied_forces</\n-000104e0: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-000104f0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00010500: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00010510: 3d22 3635 3722 2063 793d 222d 3430 362e =\"657\" cy=\"-406.\n-00010520: 3636 2220 7278 3d22 3536 2e36 3422 2072 66\" rx=\"56.64\" r\n-00010530: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00010540: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00010550: 6964 646c 6522 2078 3d22 3635 3722 2079 iddle\" x=\"657\" y\n-00010560: 3d22 2d34 3034 2e31 3622 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;module_src_grom\n-00010650: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-00010660: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es.....\n-00010780: 3c67 2069 643d 2265 6467 6539 3822 2063 .module_src_g\n-000107b0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000107c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000107d0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-000107e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n-000108d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n-00010990: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n-000109a0: 6c69 6e67 3c2f 7469 746c 653e 0a3c 656c ling..pull\n-00010a60: 696e 673c 2f74 6578 743e 0a3c 2f67 3e0a ing..\n-00010a70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-00010ae0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00010af0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00010b00: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00010b10: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c70 lling..<\n-00010ba0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00010bb0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00010bc0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00010bd0: 3133 3731 2e31 392c 2d33 3635 2e34 3620 1371.19,-365.46 \n-00010be0: 3133 3736 2e33 2c2d 3335 362e 3138 2031 1376.3,-356.18 1\n-00010bf0: 3336 362e 3531 2c2d 3336 302e 3235 2031 366.51,-360.25 1\n-00010c00: 3337 312e 3139 2c2d 3336 352e 3436 222f 371.19,-365.46\"/\n-00010c10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....\n-00010c80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010c90: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00010ca0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010cb0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-00010cc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00010cd0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" 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module_src_gr\n-00010dc0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00010dd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00010de0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-00010df0: 3e0a 3c67 2069 643d 2265 6467 6539 3222 >.<g id=\"edge92\"\n-00010e00: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00010e10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00010e20: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00010e30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00010e40: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00010e50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00010f10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n-00010fd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010fe0: 735f 7377 6170 3c2f 7469 746c 653e 0a3c s_swap.<\n-00010ff0: 6720 6964 3d22 615f 6e6f 6465 3435 223e g id=\"a_node45\">\n-00011000: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..swap<\n-00011100: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n-00011110: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-00011180: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011190: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-000111a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000111b0: 5f73 7761 703c 2f74 6974 6c65 3e0a 3c70 _swap...\n-000112e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-00011340: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00011350: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00011360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011370: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00011380: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......m\n-00011500: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00011510: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00011520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011530: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00011540: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70 s_awh....<\n-00011640: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011650: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-00011660: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00011670: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n-00011680: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-000116b0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-000116c0: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n-000116d0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-000116e0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-000116f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00011700: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00011710: 224d 3135 3331 2e33 322c 2d32 3139 2e35 \"M1531.32,-219.5\n-00011720: 3643 3136 3430 2e33 382c 2d32 3231 2e36 6C1640.38,-221.6\n-00011730: 3320 3139 3839 2e38 2c2d 3233 312e 3037 3 1989.8,-231.07\n-00011740: 2032 3032 332c 2d32 3637 2e34 3820 3230 2023,-267.48 20\n-00011750: 3331 2e30 352c 2d32 3736 2e33 2032 3032 31.05,-276.3 202\n-00011760: 352e 3036 2c2d 3238 322e 3539 2032 3032 5.06,-282.59 202\n-00011770: 332c 2d32 3934 2e33 3520 3230 3131 2e34 3,-294.35 2011.4\n-00011780: 392c 2d33 3630 2e31 3820 3138 3732 2e34 9,-360.18 1872.4\n-00011790: 312c 2d38 3230 2031 3831 392c 2d38 3630 1,-820 1819,-860\n-000117a0: 2e31 3820 3137 3639 2e38 382c 2d38 3937 .18 1769.88,-897\n-000117b0: 2e31 3320 3133 3237 2e36 392c 2d38 3836 .13 1327.69,-886\n-000117c0: 2e34 3320 3132 3637 2c2d 3839 362e 3138 .43 1267,-896.18\n-000117d0: 2031 3236 332e 3935 2c2d 3839 362e 3637 1263.95,-896.67\n-000117e0: 2031 3236 302e 3832 2c2d 3839 372e 3237 1260.82,-897.27\n-000117f0: 2031 3235 372e 3638 2c2d 3839 372e 3933 1257.68,-897.93\n-00011800: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....modul\n-000118e0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-000118f0: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n-00011900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00011910: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald......m\n-00011b60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00011b70: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-00011b80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011b90: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00011ba0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00011bb0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00011bc0: 6564 2220 643d 224d 3135 3031 2e37 362c ed\" d=\"M1501.76,\n-00011bd0: 2d32 3331 2e36 3243 3134 3939 2e39 352c -231.62C1499.95,\n-00011be0: 2d32 3436 2e36 3220 3134 3932 2e32 342c -246.62 1492.24,\n-00011bf0: 2d32 3732 2e34 3120 3134 3835 2c2d 3239 -272.41 1485,-29\n-00011c00: 342e 3335 2031 3431 362e 3338 2c2d 3530 4.35 1416.38,-50\n-00011c10: 322e 3132 2031 3332 342e 352c 2d37 3530 2.12 1324.5,-750\n-00011c20: 2e35 3620 3132 3931 2e37 2c2d 3832 342e .56 1291.7,-824.\n-00011c30: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066 19\"/>.<polygon f\n-00011c40: 696c 6c3d 2272 6564 2220 7374 726f 6b65 ill=\"red\" stroke\n-00011c50: 3d22 7265 6422 2070 6f69 6e74 733d 2231 =\"red\" points=\"1\n-00011c60: 3238 382e 3436 2c2d 3832 322e 3835 2031 288.46,-822.85 1\n-00011c70: 3238 372e 3437 2c2d 3833 332e 3339 2031 287.47,-833.39 1\n-00011c80: 3239 342e 3833 2c2d 3832 352e 3737 2031 294.83,-825.77 1\n-00011c90: 3238 382e 3436 2c2d 3832 322e 3835 222f 288.46,-822.85\"/\n-00011ca0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00011cb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-00011cc0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-00011cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011ce0: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d listed_forces --\n-00011cf0: 3e0a 3c67 2069 643d 2265 6467 6531 3136 >.<g id=\"edge116\n-00011d00: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00011d10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00011d20: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-00011d30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00011d40: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-00011d50: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n-00011d60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-00011ea0: 6720 6964 3d22 6564 6765 3131 3322 2063 g id=\"edge113\" c\n-00011eb0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00011ed0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-00011ee0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00011ef0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec.....\n-00012090: 3c67 2069 643d 2265 6467 6531 3131 2220 .module_src_\n-000120c0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-000120d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000120e0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-000120f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n-00012300: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00012310: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-00012320: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012330: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00012340: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.....<\n-00012470: 6720 6964 3d22 6564 6765 3131 3222 2063 g id=\"edge112\" c\n-00012480: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000124a0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-000124b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000124c0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib......m\n-00012680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012690: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-000126a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000126b0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n-000126c0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mo\n-000128b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000128c0: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-000128d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000128e0: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-000128f0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re...\n-00012a20: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n-00012aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-00012ab0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-00012ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00012ad0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00012ae0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity..\n-00012c60: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00012ce0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00012cf0: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-00012d00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012d10: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-00012d20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00012d30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00012d40: 3d22 7265 6422 2064 3d22 4d31 3130 322e =\"red\" d=\"M1102.\n-00012d50: 3232 2c2d 3238 342e 3931 4331 3034 302e 22,-284.91C1040.\n-00012d60: 3339 2c2d 3238 392e 3834 2039 3339 2e30 39,-289.84 939.0\n-00012d70: 332c 2d33 3032 2e30 3920 3931 362c 2d33 3,-302.09 916,-3\n-00012d80: 3330 2e33 3520 3835 352e 3234 2c2d 3430 30.35 855.24,-40\n-00012d90: 342e 3931 2039 3136 2e32 352c 2d34 3531 4.91 916.25,-451\n-00012da0: 2e37 2039 3336 2c2d 3534 352e 3833 2039 .7 936,-545.83 9\n-00012db0: 3639 2e30 382c 2d37 3033 2e34 3820 3130 69.08,-703.48 10\n-00012dc0: 3539 2e31 342c 2d37 3133 2e39 3920 3131 59.14,-713.99 11\n-00012dd0: 3937 2c2d 3739 372e 3331 2031 3231 352e 97,-797.31 1215.\n-00012de0: 3134 2c2d 3830 382e 3238 2031 3233 352e 14,-808.28 1235.\n-00012df0: 3732 2c2d 3832 302e 3239 2031 3235 312e 72,-820.29 1251.\n-00012e00: 3835 2c2d 3832 392e 3631 222f 3e0a 3c70 85,-829.61\"/>.<p\n-00012e10: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n-00012e20: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n-00012e30: 6f69 6e74 733d 2231 3235 302e 3337 2c2d oints=\"1250.37,-\n-00012e40: 3833 322e 3739 2031 3236 302e 3738 2c2d 832.79 1260.78,-\n-00012e50: 3833 342e 3735 2031 3235 332e 3837 2c2d 834.75 1253.87,-\n-00012e60: 3832 362e 3733 2031 3235 302e 3337 2c2d 826.73 1250.37,-\n-00012e70: 3833 322e 3739 222f 3e0a 3c2f 673e 0a3c 832.79\"/>.</g>.<\n-00012e80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00012e90: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-00012ea0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-00012eb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012ec0: 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 643d nbnxm -->.<g id=\n-00012ed0: 2265 6467 6531 3236 2220 636c 6173 733d \"edge126\" class=\n-00012ee0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00012ef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012f00: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00012f10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012f20: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-00012f30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-00013080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013090: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-000130a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000130b0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-000130c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-000131f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n-00013270: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-00013280: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00013290: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000132a0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......mod\n-00013450: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00013460: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n-00013470: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00013480: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n-00013490: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000134a0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000134b0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-000134c0: 3136 362e 332c 2d32 3637 2e38 3543 3131 166.3,-267.85C11\n-000134d0: 3838 2e36 322c 2d32 3530 2e39 2031 3233 88.62,-250.9 123\n-000134e0: 322e 3034 2c2d 3232 302e 3335 2031 3237 2.04,-220.35 127\n-000134f0: 342c 2d32 3034 2e36 3120 3133 3536 2e39 4,-204.61 1356.9\n-00013500: 352c 2d31 3733 2e35 2031 3436 312c 2d31 5,-173.5 1461,-1\n-00013510: 3632 2e32 3620 3135 3137 2e36 322c 2d31 62.26 1517.62,-1\n-00013520: 3538 2e32 3922 2f3e 0a3c 706f 6c79 676f 58.29\"/>.<polygo\n-00013530: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-00013540: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00013550: 2220 706f 696e 7473 3d22 3135 3137 2e38 \" points=\"1517.8\n-00013560: 382c 2d31 3631 2e37 3820 3135 3237 2e36 8,-161.78 1527.6\n-00013570: 332c 2d31 3537 2e36 3220 3135 3137 2e34 3,-157.62 1517.4\n-00013580: 322c 2d31 3534 2e37 3920 3135 3137 2e38 2,-154.79 1517.8\n-00013590: 382c 2d31 3631 2e37 3822 2f3e 0a3c 2f67 8,-161.78\"/>.</g\n-000135a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000135b0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-000135c0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-000135d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000135e0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->.<g \n-000135f0: 6964 3d22 6564 6765 3131 3922 2063 6c61 id=\"edge119\" cla\n-00013600: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00013610: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00013620: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-00013630: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00013640: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00013650: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib.....<\n-000137b0: 6720 6964 3d22 6e6f 6465 3234 2220 636c g id=\"node24\" cl\n-000137c0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-000137e0: 6f6d 6163 735f 7469 6d69 6e67 3c2f 7469 omacs_timing..timing....module_src_gro\n-00013930: 6d61 6373 5f74 696d 696e 6726 2334 353b macs_timing-\n-00013940: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013950: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes.....\n-00013a60: 3c67 2069 643d 226e 6f64 6532 3522 2063 .module_src_g\n-00013a90: 726f 6d61 6373 5f61 6e61 6c79 7369 7364 romacs_analysisd\n-00013aa0: 6174 613c 2f74 6974 6c65 3e0a 3c67 2069 ata...<\n-00013b70: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-00013b80: 3d22 6d69 6464 6c65 2220 783d 2239 3633 =\"middle\" x=\"963\n-00013b90: 2220 793d 222d 3130 3935 2e37 3322 2066 \" y=\"-1095.73\" f\n-00013ba0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00013bb0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-00013bc0: 2231 302e 3030 223e 616e 616c 7973 6973 \"10.00\">analysis\n-00013bd0: 6461 7461 3c2f 7465 7874 3e0a 3c2f 613e data.\n-00013be0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....modul\n-00013c60: 655f 7372 635f 6772 6f6d 6163 735f 616e e_src_gromacs_an\n-00013c70: 616c 7973 6973 6461 7461 2623 3435 3b26 alysisdata-&\n-00013c80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013c90: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n-00013ca0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00013cb0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00013cc0: 6266 6266 6266 2220 643d 224d 3933 392e bfbfbf\" d=\"M939.\n-00013cd0: 342c 2d31 3038 362e 3334 4339 3136 2e39 4,-1086.34C916.9\n-00013ce0: 382c 2d31 3037 3620 3838 332e 3234 2c2d 8,-1076 883.24,-\n-00013cf0: 3130 3630 2e34 3520 3835 392e 3337 2c2d 1060.45 859.37,-\n-00013d00: 3130 3439 2e34 3422 2f3e 0a3c 706f 6c79 1049.44\"/>.<poly\n-00013d10: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-00013d20: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-00013d30: 6266 2220 706f 696e 7473 3d22 3836 302e bf\" points=\"860.\n-00013d40: 3636 2c2d 3130 3436 2e31 3820 3835 302e 66,-1046.18 850.\n-00013d50: 3131 2c2d 3130 3435 2e31 3720 3835 372e 11,-1045.17 857.\n-00013d60: 3733 2c2d 3130 3532 2e35 3420 3836 302e 73,-1052.54 860.\n-00013d70: 3636 2c2d 3130 3436 2e31 3822 2f3e 0a3c 66,-1046.18\"/>.<\n-00013d80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00013d90: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-00013da0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-00013db0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013dc0: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n-00013dd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n-00013de0: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-00013df0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00013e00: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-00013e10: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-00013e20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00013e30: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n-00013e40: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00013e50: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00013e60: 2362 6662 6662 6622 2064 3d22 4d31 3837 #bfbfbf\" d=\"M187\n-00013e70: 362e 3532 2c2d 3335 372e 3033 4331 3838 6.52,-357.03C188\n-00013e80: 342e 372c 2d33 3636 2e33 3220 3138 3935 4.7,-366.32 1895\n-00013e90: 2e33 352c 2d33 3739 2e37 3420 3139 3032 .35,-379.74 1902\n-00013ea0: 2c2d 3339 332e 3232 2031 3935 332e 3132 ,-393.22 1953.12\n-00013eb0: 2c2d 3439 362e 3835 2031 3935 332e 3335 ,-496.85 1953.35\n-00013ec0: 2c2d 3533 302e 3038 2031 3936 382c 2d36 ,-530.08 1968,-6\n-00013ed0: 3434 2e37 2031 3938 302e 3833 2c2d 3734 44.7 1980.83,-74\n-00013ee0: 352e 3134 2031 3937 352e 3939 2c2d 3830 5.14 1975.99,-80\n-00013ef0: 302e 3736 2031 3839 342c 2d38 3630 2e31 0.76 1894,-860.1\n-00013f00: 3820 3138 3337 2e35 2c2d 3930 312e 3133 8 1837.5,-901.13\n-00013f10: 2031 3333 352e 3934 2c2d 3838 352e 3338 1335.94,-885.38\n-00013f20: 2031 3236 372c 2d38 3936 2e31 3820 3132 1267,-896.18 12\n-00013f30: 3633 2e38 312c 2d38 3936 2e36 3820 3132 63.81,-896.68 12\n-00013f40: 3630 2e35 332c 2d38 3937 2e33 2031 3235 60.53,-897.3 125\n-00013f50: 372e 3234 2c2d 3839 3822 2f3e 0a3c 706f 7.24,-898\"/>.<po\n-00013f60: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00013f70: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00013f80: 6266 6266 2220 706f 696e 7473 3d22 3132 bfbf\" points=\"12\n-00013f90: 3536 2e34 342c 2d38 3934 2e35 3920 3132 56.44,-894.59 12\n-00013fa0: 3437 2e34 392c 2d39 3030 2e32 3620 3132 47.49,-900.26 12\n-00013fb0: 3538 2e30 322c 2d39 3031 2e34 3120 3132 58.02,-901.41 12\n-00013fc0: 3536 2e34 342c 2d38 3934 2e35 3922 2f3e 56.44,-894.59\"/>\n-00013fd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00013fe0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-00013ff0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-00014000: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014010: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00014020: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-00014030: 6564 6765 3133 3722 2063 6c61 7373 3d22 edge137\" class=\"\n-00014040: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00014050: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014060: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-00014070: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00014080: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00014090: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-000140a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-000141d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-000142c0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-000142d0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-000142e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000142f0: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n-00014300: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00014310: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00014320: 2332 3832 6663 6322 2064 3d22 4d31 3837 #282fcc\" d=\"M187\n-00014330: 312e 3739 2c2d 3335 372e 3231 4331 3837 1.79,-357.21C187\n-00014340: 392e 312c 2d33 3732 2e32 3820 3138 3838 9.1,-372.28 1888\n-00014350: 2e38 352c 2d33 3938 2e33 3620 3138 3832 .85,-398.36 1882\n-00014360: 2c2d 3432 302e 3039 2031 3837 312e 3735 ,-420.09 1871.75\n-00014370: 2c2d 3435 322e 3632 2031 3836 312e 3434 ,-452.62 1861.44\n-00014380: 2c2d 3435 382e 3139 2031 3833 382c 2d34 ,-458.19 1838,-4\n-00014390: 3832 2e39 3620 3137 3139 2e36 332c 2d36 82.96 1719.63,-6\n-000143a0: 3038 2e30 3820 3135 3230 2e32 352c 2d36 08.08 1520.25,-6\n-000143b0: 3833 2e35 3320 3134 3431 2e39 362c 2d37 83.53 1441.96,-7\n-000143c0: 3039 2e36 3422 2f3e 0a3c 706f 6c79 676f 09.64\"/>.<polygo\n-000143d0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-000143e0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000143f0: 2220 706f 696e 7473 3d22 3134 3430 2e35 \" points=\"1440.5\n-00014400: 382c 2d37 3036 2e34 3120 3134 3332 2e31 8,-706.41 1432.1\n-00014410: 372c 2d37 3132 2e38 3620 3134 3432 2e37 7,-712.86 1442.7\n-00014420: 362c 2d37 3133 2e30 3620 3134 3430 2e35 6,-713.06 1440.5\n-00014430: 382c 2d37 3036 2e34 3122 2f3e 0a3c 2f67 8,-706.41\"/>.</g\n-00014440: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00014450: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-00014460: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-00014470: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00014480: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n-00014490: 3e0a 3c67 2069 643d 2265 6467 6531 3338 >.<g id=\"edge138\n-000144a0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000144b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000144c0: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-000144d0: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-000144e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000144f0: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-00014500: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00014510: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00014520: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00014530: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00014540: 643d 224d 3138 3734 2e38 362c 2d33 3537 d=\"M1874.86,-357\n-00014550: 2e30 3843 3138 3831 2e36 382c 2d33 3636 .08C1881.68,-366\n-00014560: 2e34 2031 3839 302e 3138 2c2d 3337 392e .4 1890.18,-379.\n-00014570: 3834 2031 3839 342c 2d33 3933 2e32 3220 84 1894,-393.22 \n-00014580: 3139 3936 2e35 2c2d 3735 322e 3739 2031 1996.5,-752.79 1\n-00014590: 3930 392e 3235 2c2d 3635 342e 3733 2031 909.25,-654.73 1\n-000145a0: 3839 382c 2d36 3731 2e35 3720 3138 3137 898,-671.57 1817\n-000145b0: 2e30 342c 2d37 3932 2e38 3320 3137 3335 .04,-792.83 1735\n-000145c0: 2e34 2c2d 3735 3820 3135 3935 2c2d 3739 .4,-758 1595,-79\n-000145d0: 372e 3331 2031 3530 322e 3537 2c2d 3832 7.31 1502.57,-82\n-000145e0: 332e 3139 2031 3339 302e 3738 2c2d 3833 3.19 1390.78,-83\n-000145f0: 362e 3233 2031 3332 382e 3239 2c2d 3834 6.23 1328.29,-84\n-00014600: 312e 3936 222f 3e0a 3c70 6f6c 7967 6f6e 1.96\"/>.<polygon\n-00014610: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-00014620: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-00014630: 2070 6f69 6e74 733d 2231 3332 372e 3631 points=\"1327.61\n-00014640: 2c2d 3833 382e 3520 3133 3137 2e39 362c ,-838.5 1317.96,\n-00014650: 2d38 3432 2e38 3820 3133 3238 2e32 332c -842.88 1328.23,\n-00014660: 2d38 3435 2e34 3820 3133 3237 2e36 312c -845.48 1327.61,\n-00014670: 2d38 3338 2e35 222f 3e0a 3c2f 673e 0a3c -838.5\"/>.</g>.<\n-00014680: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00014690: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-000146a0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-000146b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000146c0: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n-000146d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n-000146e0: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n-000146f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00014700: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-00014710: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-00014720: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00014730: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-00014740: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...\n-00014840: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-00014ae0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-00014af0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-00014b00: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-00014b10: 7365 6e74 6961 6c64 796e 616d 6963 733c sentialdynamics<\n-00014b20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....\n-00014c70: 3c67 2069 643d 2265 6467 6531 3333 2220 .module_src_\n-00014ca0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-00014cb0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n-00014cc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014cd0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes......modu\n-00014ec0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00014ed0: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-00014ee0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00014ef0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n-00014f00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00014f10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00014f20: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-00014f30: 3836 312e 362c 2d33 3330 2e31 3143 3138 861.6,-330.11C18\n-00014f40: 3533 2e35 312c 2d33 3032 2e35 3520 3138 53.51,-302.55 18\n-00014f50: 3330 2e34 312c 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ssignment-&g\n-00015040: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00015050: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-00015060: 6720 6964 3d22 6564 6765 3133 3222 2063 g id=\"edge132\" c\n-00015070: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00015080: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00015090: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-000150a0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-000150b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000150c0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-000150d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000150e0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000150f0: 2220 643d 224d 3138 3730 2e37 352c 2d33 \" d=\"M1870.75,-3\n-00015100: 3537 2e32 3143 3138 3737 2e30 332c 2d33 57.21C1877.03,-3\n-00015110: 3732 2e37 3320 3138 3834 2e39 382c 2d33 72.73 1884.98,-3\n-00015120: 3939 2e37 3220 3138 3735 2c2d 3432 302e 99.72 1875,-420.\n-00015130: 3039 2031 3834 332e 3533 2c2d 3438 342e 09 1843.53,-484.\n-00015140: 3336 2031 3638 312e 352c 2d35 3834 2e39 36 1681.5,-584.9\n-00015150: 3320 3136 3134 2c2d 3630 382e 3720 3135 3 1614,-608.7 15\n-00015160: 3431 2e34 322c 2d36 3334 2e32 3620 3133 41.42,-634.26 13\n-00015170: 3130 2e37 342c 2d36 3439 2e37 3820 3132 10.74,-649.78 12\n-00015180: 3139 2e30 382c 2d36 3535 2e30 3822 2f3e 19.08,-655.08\"/>\n-00015190: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n-00015290: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-000152a0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-000152b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000152c0: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility.\n-00015380: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-00015480: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00015490: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-000154a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000154b0: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline...<\n-00015600: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-00015810: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015820: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00015830: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00015840: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00015850: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......module\n-00015a00: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-00015a10: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-00015a20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00015a30: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-00015a40: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls....\n-00015c10: 0a3c 6720 6964 3d22 6564 6765 3134 3422 ..<\n-00015c30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00015c40: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00015c50: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-00015c60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00015c70: 6d61 6373 5f6d 6472 756e 3c2f 7469 746c macs_mdrun......mod\n-00015dd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015de0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00015df0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00015e00: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-00015e10: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m......module_src_gro\n-000161b0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-000161c0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-000161d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000161e0: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n-000161f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00016270: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-000162e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-00016370: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-00016380: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-00016390: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000163a0: 7461 736b 6173 7369 676e 6d65 6e74 3c2f taskassignment......mod\n-00016530: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016540: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00016550: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00016560: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-00016570: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec......module_src_grom\n-00016700: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-00016710: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-00016720: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016730: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00016740: 3c70 6174 6820 6669 6c6c 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743b 6d6f 6475 6c65 c->module\n-00017990: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-000179a0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......modul\n-00017b30: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00017b40: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00017b50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017b60: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-00017b70: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00017b80: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00017b90: 6662 6622 2064 3d22 4d31 3631 322e 3336 fbf\" d=\"M1612.36\n-00017ba0: 2c2d 3534 362e 3033 4331 3631 312e 3036 ,-546.03C1611.06\n-00017bb0: 2c2d 3536 312e 3738 2031 3630 372e 312c ,-561.78 1607.1,\n-00017bc0: 2d35 3839 2031 3539 352c 2d36 3038 2e37 -589 1595,-608.7\n-00017bd0: 2031 3532 352e 3031 2c2d 3732 322e 3731 1525.01,-722.71\n-00017be0: 2031 3337 382e 3236 2c2d 3830 302e 3831 1378.26,-800.81\n-00017bf0: 2031 3331 322e 3737 2c2d 3833 312e 3338 1312.77,-831.38\n-00017c00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00017c10: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00017c20: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-00017c30: 6e74 733d 2231 3331 302e 3937 2c2d 3832 nts=\"1310.97,-82\n-00017c40: 382e 3335 2031 3330 332e 3335 2c2d 3833 8.35 1303.35,-83\n-00017c50: 352e 3731 2031 3331 332e 3839 2c2d 3833 5.71 1313.89,-83\n-00017c60: 342e 3731 2031 3331 302e 3937 2c2d 3832 4.71 1310.97,-82\n-00017c70: 382e 3335 222f 3e0a 3c2f 673e 0a3c 212d 8.35\"/>.</g>.<!-\n-00017c80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00017c90: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-00017ca0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00017cb0: 726f 6d61 6373 5f6d 6472 756e 202d 2d3e romacs_mdrun -->\n-00017cc0: 0a3c 6720 6964 3d22 6564 6765 3136 3522 .<g id=\"edge165\"\n-00017cd0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00017ce0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017cf0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00017d00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00017d10: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00017d20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-00017e50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017e60: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00017e70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017e80: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n-00017e90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.\n-00017eb0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00017ec0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00017ed0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00017ee0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-00017ef0: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm......module\n-00018090: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000180a0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-000180b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-000180c0: 6973 7465 645f 666f 7263 6573 3c2f 7469 isted_forces</ti\n-000180d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000180e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-000180f0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00018100: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00018110: 3d22 4d31 3630 322e 312c 2d35 3139 2e33 =\"M1602.1,-519.3\n-00018120: 3943 3135 3735 2e37 382c 2d34 3833 2e37 9C1575.78,-483.7\n-00018130: 3920 3135 3037 2e35 362c 2d33 3738 2e33 9 1507.56,-378.3\n-00018140: 3120 3134 3230 2c2d 3333 302e 3335 2031 1 1420,-330.35 1\n-00018150: 3335 342e 3837 2c2d 3239 342e 3638 2031 354.87,-294.68 1\n-00018160: 3236 392e 3432 2c2d 3238 342e 3237 2031 269.42,-284.27 1\n-00018170: 3231 322e 342c 2d32 3831 2e37 3122 2f3e 212.4,-281.71\"/>\n-00018180: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00018190: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-000181a0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-000181b0: 3d22 3132 3132 2e32 322c 2d32 3738 2e32 =\"1212.22,-278.2\n-000181c0: 2031 3230 322e 312c 2d32 3831 2e33 3220 1202.1,-281.32 \n-000181d0: 3132 3131 2e39 362c 2d32 3835 2e32 2031 1211.96,-285.2 1\n-000181e0: 3231 322e 3232 2c2d 3237 382e 3222 2f3e 212.22,-278.2\"/>\n-000181f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00018200: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00018210: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00018220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00018230: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069 mdtypes -->.<g i\n-00018240: 643d 2265 6467 6531 3631 2220 636c 6173 d=\"edge161\" clas\n-00018250: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00018260: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00018270: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-00018280: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00018290: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n-000182a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000182b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000182c0: 2362 6662 6662 6622 2064 3d22 4d31 3632 #bfbfbf\" d=\"M162\n-000182d0: 382e 3039 2c2d 3534 342e 3732 4331 3633 8.09,-544.72C163\n-000182e0: 352e 3836 2c2d 3535 342e 3136 2031 3634 5.86,-554.16 164\n-000182f0: 332e 3639 2c2d 3536 382e 3232 2031 3634 3.69,-568.22 164\n-00018300: 372c 2d35 3831 2e38 3320 3136 3439 2e38 7,-581.83 1649.8\n-00018310: 322c 2d35 3933 2e34 3420 3136 3438 2e34 2,-593.44 1648.4\n-00018320: 382c 2d35 3936 2e38 3520 3136 3437 2c2d 8,-596.85 1647,-\n-00018330: 3630 382e 3720 3136 3433 2e34 322c 2d36 608.7 1643.42,-6\n-00018340: 3337 2e33 3120 3136 3432 2e37 2c2d 3634 37.31 1642.7,-64\n-00018350: 352e 3232 2031 3633 312c 2d36 3731 2e35 5.22 1631,-671.5\n-00018360: 3720 3136 3135 2e34 372c 2d37 3036 2e35 7 1615.47,-706.5\n-00018370: 3520 3135 3839 2e32 332c 2d37 3432 2e36 5 1589.23,-742.6\n-00018380: 3620 3135 3730 2e31 332c 2d37 3633 2e39 6 1570.13,-763.9\n-00018390: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n-000183a0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-000183b0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n-000183c0: 696e 7473 3d22 3135 3637 2e34 382c 2d37 ints=\"1567.48,-7\n-000183d0: 3631 2e36 3220 3135 3633 2e31 392c 2d37 61.62 1563.19,-7\n-000183e0: 3731 2e33 3120 3135 3732 2e35 392c 2d37 71.31 1572.59,-7\n-000183f0: 3636 2e34 3120 3135 3637 2e34 382c 2d37 66.41 1567.48,-7\n-00018400: 3631 2e36 3222 2f3e 0a3c 2f67 3e0a 3c21 61.62\"/>.</g>.<!\n-00018410: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00018420: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-00018430: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018440: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n-00018450: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135 ->.<g id=\"edge15\n-00018460: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-00018470: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00018480: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00018490: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-000184a0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000184b0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...\n-00018650: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-000186c0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000186d0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-000186e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000186f0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib....\n-000189d0: 0a3c 6720 6964 3d22 6564 6765 3137 3022 ..<\n-000189f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00018a00: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n-00018a10: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-00018a20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00018a30: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.\n-00018b00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-00018bc0: 0a3c 6720 6964 3d22 6564 6765 3136 3922 ..<\n-00018be0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00018bf0: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n-00018c00: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-00018c10: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00018c20: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......\n-00018d80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018d90: 6373 5f74 6f6f 6c73 3c2f 7469 746c 653e cs_tools\n-00018da0: 0a3c 656c 6c69 7073 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919,-\n-00019080: 3130 352e 3734 2039 3134 2e34 372c 2d31 105.74 914.47,-1\n-00019090: 3035 2e32 3220 3930 392e 3737 2c2d 3130 05.22 909.77,-10\n-000190a0: 342e 3533 2039 3035 2e30 392c 2d31 3033 4.53 905.09,-103\n-000190b0: 2e37 3422 2f3e 0a3c 706f 6c79 676f 6e20 .74\"/>.<polygon \n-000190c0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472 fill=\"black\" str\n-000190d0: 6f6b 653d 2262 6c61 636b 2220 706f 696e oke=\"black\" poin\n-000190e0: 7473 3d22 3930 352e 342c 2d31 3030 2e32 ts=\"905.4,-100.2\n-000190f0: 3420 3839 342e 3933 2c2d 3130 312e 3920 4 894.93,-101.9 \n-00019100: 3930 342e 3135 2c2d 3130 372e 3133 2039 904.15,-107.13 9\n-00019110: 3035 2e34 2c2d 3130 302e 3234 222f 3e0a 05.4,-100.24\"/>.\n-00019120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00019130: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n-00019140: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-00019150: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00019160: 616c 6420 2d2d 3e0a 3c67 2069 643d 2265 ald -->.<g id=\"e\n-00019170: 6467 6531 3732 2220 636c 6173 733d 2265 dge172\" class=\"e\n-00019180: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00019190: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000191a0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-000191b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000191c0: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n-000191d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000191e0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000191f0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00019200: 6179 3d22 352c 3222 2064 3d22 4d31 3132 ay=\"5,2\" d=\"M112\n-00019210: 382e 3433 2c2d 3132 3738 2e30 3543 3131 8.43,-1278.05C11\n-00019220: 3837 2e31 312c 2d31 3235 342e 3420 3133 87.11,-1254.4 13\n-00019230: 3535 2e38 312c 2d31 3137 372e 3037 2031 55.81,-1177.07 1\n-00019240: 3431 362c 2d31 3034 382e 3739 2031 3436 416,-1048.79 146\n-00019250: 352e 3135 2c2d 3934 342e 3034 2031 3433 5.15,-944.04 143\n-00019260: 312e 3536 2c2d 3739 382e 3834 2031 3431 1.56,-798.84 141\n-00019270: 352e 3836 2c2d 3734 342e 3038 222f 3e0a 5.86,-744.08\"/>.\n-00019280: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-00019370: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00019380: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019390: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio......module_src_gro\n-00019590: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-000195a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000195b0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-000195c0: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess...\n-000196e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-00019930: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00019940: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019950: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974 omacs_mdrun..\n-00019b40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n-00019bc0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-00019bd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00019be0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00019bf0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.\n-00019d10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-00019e00: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-00019e10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00019e20: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-00019e30: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces......module_src_gr\n-0001a0c0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-0001a0d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001a0e0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes..\n-0001a1b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-0001a2a0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-0001a2b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001a2c0: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469 omacs_random......\n-0001a4c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0001a4d0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n-0001a4e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a4f0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0001a500: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.....\n-0001a6f0: 3c67 2069 643d 2265 6467 6531 3736 2220 .module_src_\n-0001a720: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n-0001a730: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001a740: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib....\n-0001abd0: 0a3c 6720 6964 3d22 6564 6765 3138 3322 ..<\n-0001abf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001ac00: 5f67 726f 6d61 6373 5f65 7373 656e 7469 _gromacs_essenti\n-0001ac10: 616c 6479 6e61 6d69 6373 2623 3435 3b26 aldynamics-&\n-0001ac20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ac30: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0001ac40: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......mo\n-0001ae30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ae40: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-0001ae50: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n-0001ae60: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001ae70: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......m\n-0001b080: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b090: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-0001b0a0: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-0001b0b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-0001b0c0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..\n-0001b200: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n-0001b2f0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-0001b300: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-0001b310: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001b320: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001b330: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n-0001b8e0: 6720 6964 3d22 6564 6765 3230 3422 2063 g id=\"edge204\" c\n-0001b8f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001b910: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001b920: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001b930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b940: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware...\n-0001ba70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-0001baf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001bb00: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0001bb10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001bb20: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-0001bb30: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-0001bb40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001bb50: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001bb60: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001bb70: 6179 3d22 352c 3222 2064 3d22 4d36 3537 ay=\"5,2\" d=\"M657\n-0001bb80: 2e38 312c 2d34 3230 2e32 3643 3635 392e .81,-420.26C659.\n-0001bb90: 3039 2c2d 3433 352e 3531 2036 3632 2e33 09,-435.51 662.3\n-0001bba0: 2c2d 3436 312e 3736 2036 3730 2c2d 3438 ,-461.76 670,-48\n-0001bbb0: 322e 3936 2037 3438 2e38 342c 2d36 3939 2.96 748.84,-699\n-0001bbc0: 2e39 3620 3734 392e 3236 2c2d 3830 322e .96 749.26,-802.\n-0001bbd0: 3233 2039 3436 2c2d 3932 332e 3035 2039 23 946,-923.05 9\n-0001bbe0: 3935 2e34 332c 2d39 3533 2e34 2031 3135 95.43,-953.4 115\n-0001bbf0: 392e 3939 2c2d 3936 352e 3136 2031 3234 9.99,-965.16 124\n-0001bc00: 382e 3132 2c2d 3936 392e 3336 222f 3e0a 8.12,-969.36\"/>.\n-0001bc10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n-0001bd00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001bd10: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-0001bd20: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001bd30: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0001bd40: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-0001bd50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n-0001bee0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-0001bef0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0001bf00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001bf10: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald......modul\n-0001c0e0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001c0f0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001c100: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001c110: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n-0001c120: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001c130: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001c140: 2223 6266 6266 6266 2220 643d 224d 3633 \"#bfbfbf\" d=\"M63\n-0001c150: 342e 3038 2c2d 3431 382e 3936 4336 3030 4.08,-418.96C600\n-0001c160: 2e32 382c 2d34 3337 2e34 3320 3534 312c .28,-437.43 541,\n-0001c170: 2d34 3737 2e35 3120 3534 312c 2d35 3331 -477.51 541,-531\n-0001c180: 2e34 2035 3431 2c2d 3539 362e 3237 2035 .4 541,-596.27 5\n-0001c190: 3431 2c2d 3539 362e 3237 2035 3431 2c2d 41,-596.27 541,-\n-0001c1a0: 3539 362e 3237 2035 3431 2c2d 3634 322e 596.27 541,-642.\n-0001c1b0: 3836 2036 3632 2e35 2c2d 3935 332e 3534 86 662.5,-953.54\n-0001c1c0: 2036 3936 2c2d 3938 352e 3932 2037 3232 696,-985.92 722\n-0001c1d0: 2e39 392c 2d31 3031 3220 3736 352c 2d31 .99,-1012 765,-1\n-0001c1e0: 3032 342e 3136 2037 3934 2e39 382c 2d31 024.16 794.98,-1\n-0001c1f0: 3032 392e 3735 222f 3e0a 3c70 6f6c 7967 029.75\"/>.<polyg\n-0001c200: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0001c210: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0001c220: 6622 2070 6f69 6e74 733d 2237 3934 2e35 f\" points=\"794.5\n-0001c230: 392c 2d31 3033 332e 3234 2038 3035 2e30 9,-1033.24 805.0\n-0001c240: 342c 2d31 3033 312e 3437 2037 3935 2e37 4,-1031.47 795.7\n-0001c250: 372c 2d31 3032 362e 3334 2037 3934 2e35 7,-1026.34 794.5\n-0001c260: 392c 2d31 3033 332e 3234 222f 3e0a 3c2f 9,-1033.24\"/>.</\n-0001c270: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001c280: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-0001c290: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-0001c2a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001c2b0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-0001c2c0: 7373 202d 2d3e 0a3c 6720 6964 3d22 6564 ss -->.<g id=\"ed\n-0001c2d0: 6765 3139 3622 2063 6c61 7373 3d22 6564 ge196\" class=\"ed\n-0001c2e0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001c2f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0001c300: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-0001c310: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c320: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0001c330: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess.<\n-0001c340: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001c350: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-0001c360: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001c370: 6179 3d22 352c 3222 2064 3d22 4d37 3131 ay=\"5,2\" d=\"M711\n-0001c380: 2e33 342c 2d34 3130 2e36 3543 3934 382e .34,-410.65C948.\n-0001c390: 3334 2c2d 3432 342e 3238 2031 3838 332e 34,-424.28 1883.\n-0001c3a0: 3436 2c2d 3438 332e 3936 2031 3936 362c 46,-483.96 1966,\n-0001c3b0: 2d35 3831 2e38 3320 3139 3737 2e30 322c -581.83 1977.02,\n-0001c3c0: 2d35 3934 2e38 3920 3139 3734 2e30 312c -594.89 1974.01,\n-0001c3d0: 2d36 3534 2e32 3820 3139 3638 2c2d 3637 -654.28 1968,-67\n-0001c3e0: 312e 3537 2031 3933 322e 3935 2c2d 3737 1.57 1932.95,-77\n-0001c3f0: 322e 3438 2031 3838 392e 3131 2c2d 3737 2.48 1889.11,-77\n-0001c400: 392e 3538 2031 3831 392c 2d38 3630 2e31 9.58 1819,-860.1\n-0001c410: 3820 3137 3032 2e39 362c 2d39 3933 2e35 8 1702.96,-993.5\n-0001c420: 3920 3136 3039 2e38 352c 2d39 3833 2e35 9 1609.85,-983.5\n-0001c430: 3720 3135 3434 2c2d 3131 3437 2e36 3620 7 1544,-1147.66 \n-0001c440: 3135 3337 2e31 342c 2d31 3136 342e 3737 1537.14,-1164.77\n-0001c450: 2031 3534 312e 3535 2c2d 3131 3835 2e34 1541.55,-1185.4\n-0001c460: 3920 3135 3437 2e30 322c 2d31 3230 302e 9 1547.02,-1200.\n-0001c470: 3836 222f 3e0a 3c70 6f6c 7967 6f6e 2066 86\"/>....\n-0001c540: 3c67 2069 643d 2265 6467 6532 3031 2220 .module_src_\n-0001c570: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0001c580: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-0001c590: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c5a0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-0001c5b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0001c6a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-0001c6f0: 6720 6964 3d22 6564 6765 3139 3322 2063 g id=\"edge193\" c\n-0001c700: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001c720: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001c730: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001c740: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c750: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n-0001c760: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-0001c890: 6720 6964 3d22 6564 6765 3139 3522 2063 g id=\"edge195\" c\n-0001c8a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001c8c0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001c8d0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001c8e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c8f0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-0001c900: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0001ca20: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0001cef0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-0001cf00: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-0001cf10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001cf20: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib...\n-0001d030: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n-0001d230: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001d240: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-0001d250: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001d260: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0001d270: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......m\n-0001d3c0: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-0001d3d0: 6d73 5f6d 6472 756e 5f74 6573 7473 3c2f ms_mdrun_tests</\n-0001d3e0: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n-0001d3f0: 6e6f 6465 3530 223e 3c61 2078 6c69 6e6b node50\"><a xlink\n-0001d400: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n-0001d410: 6475 6c65 5f5f 6d64 7275 6e5f 5f69 6e74 dule__mdrun__int\n-0001d420: 6567 7261 7469 6f6e 5f5f 7465 7374 732e egration__tests.\n-0001d430: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-0001d440: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-0001d450: 3d22 6d64 7275 6e5f 696e 7465 6772 6174 =\"mdrun_integrat\n-0001d460: 696f 6e5f 7465 7374 7322 3e0a 3c65 6c6c ion_tests\">.<ell\n-0001d470: 6970 7365 2066 696c 6c3d 2223 6535 6363 ipse fill=\"#e5cc\n-0001d480: 6666 2220 7374 726f 6b65 3d22 626c 6163 ff\" stroke=\"blac\n-0001d490: 6b22 2063 783d 2232 3433 3022 2063 793d k\" cx=\"2430\" cy=\n-0001d4a0: 222d 3334 332e 3739 2220 7278 3d22 3835 \"-343.79\" rx=\"85\n-0001d4b0: 2e36 3222 2072 793d 2231 332e 3337 222f .62\" ry=\"13.37\"/\n-0001d4c0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n-0001d4d0: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n-0001d4e0: 3234 3330 2220 793d 222d 3334 312e 3239 2430\" y=\"-341.29\n-0001d4f0: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n-0001d500: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n-0001d510: 7a65 3d22 3130 2e30 3022 3e6d 6472 756e ze=\"10.00\">mdrun\n-0001d520: 5f69 6e74 6567 7261 7469 6f6e 5f74 6573 _integration_tes\n-0001d530: 7473 3c2f 7465 7874 3e0a 3c2f 613e 0a3c ts</text>.</a>.<\n-0001d540: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>.</g>.<!-- mo\n-0001d550: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d560: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001d570: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001d580: 7263 5f70 726f 6772 616d 735f 6d64 7275 rc_programs_mdru\n-0001d590: 6e5f 7465 7374 7320 2d2d 3e0a 3c67 2069 n_tests -->.<g i\n-0001d5a0: 643d 2265 6467 6531 3937 2220 636c 6173 d=\"edge197\" clas\n-0001d5b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001d5c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001d5d0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0001d5e0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001d5f0: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n-0001d600: 6472 756e 5f74 6573 7473 3c2f 7469 746c drun_tests</titl\n-0001d610: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001d620: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0001d630: 2220 643d 224d 3731 312e 3731 2c2d 3430 \" d=\"M711.71,-40\n-0001d640: 332e 3139 4337 3732 2e39 332c 2d34 3030 3.19C772.93,-400\n-0001d650: 2e34 3920 3837 352e 3035 2c2d 3339 362e .49 875.05,-396.\n-0001d660: 3136 2039 3633 2c2d 3339 332e 3232 2031 16 963,-393.22 1\n-0001d670: 3537 332e 3938 2c2d 3337 322e 3831 2031 573.98,-372.81 1\n-0001d680: 3732 382e 3635 2c2d 3430 362e 3233 2032 728.65,-406.23 2\n-0001d690: 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226e 6f64 6522 35\" class=\"node\"\n-0001d780: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001d790: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n-0001d7a0: 6172 616c 6765 6272 613c 2f74 6974 6c65 aralgebra</title\n-0001d7b0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-0001d7c0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-0001d7d0: 3d22 626c 6163 6b22 2063 783d 2235 3738 =\"black\" cx=\"578\n-0001d7e0: 2220 6379 3d22 2d31 3238 362e 3834 2220 \" cy=\"-1286.84\" \n-0001d7f0: 7278 3d22 3530 2e34 3122 2072 793d 2231 rx=\"50.41\" ry=\"1\n-0001d800: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-0001d810: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-0001d820: 6522 2078 3d22 3537 3822 2079 3d22 2d31 e\" x=\"578\" y=\"-1\n-0001d830: 3238 342e 3334 2220 666f 6e74 2d66 616d 284.34\" font-fam\n-0001d840: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-0001d850: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-0001d860: 3e6c 696e 6561 7261 6c67 6562 7261 3c2f >linearalgebra</\n-0001d870: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20 text>.</g>.<!-- \n-0001d880: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001d890: 6373 5f75 7469 6c69 7479 2623 3435 3b26 cs_utility-&\n-0001d8a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001d8b0: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n-0001d8c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-0001d8d0: 3035 2220 636c 6173 733d 2265 6467 6522 05\" class=\"edge\"\n-0001d8e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001d8f0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n-0001d900: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n-0001d910: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001d920: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-0001d930: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n-0001da80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001da90: 5f75 7469 6c69 7479 2623 3435 3b26 6774 _utility->\n-0001daa0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001dab0: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat</titl\n-0001dac0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001dad0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0001dae0: 3266 6363 2220 643d 224d 3131 3231 2e36 2fcc\" d=\"M1121.6\n-0001daf0: 392c 2d38 3937 2e30 3943 3130 3831 2e33 9,-897.09C1081.3\n-0001db00: 322c 2d38 3534 2e37 3720 3934 352e 362c 2,-854.77 945.6,\n-0001db10: 2d37 3032 2e33 3320 3932 362c 2d35 3435 -702.33 926,-545\n-0001db20: 2e38 3320 3931 372e 3637 2c2d 3437 392e .83 917.67,-479.\n-0001db30: 3336 2039 3437 2e34 372c 2d34 3033 2e30 36 947.47,-403.0\n-0001db40: 3620 3936 342e 3238 2c2d 3336 362e 3531 6 964.28,-366.51\n-0001db50: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001db60: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0001db70: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0001db80: 6e74 733d 2239 3637 2e35 322c 2d33 3637 nts=\"967.52,-367\n-0001db90: 2e38 3420 3936 382e 3633 2c2d 3335 372e .84 968.63,-357.\n-0001dba0: 3320 3936 312e 3139 2c2d 3336 342e 3835 3 961.19,-364.85\n-0001dbb0: 2039 3637 2e35 322c 2d33 3637 2e38 3422 967.52,-367.84\"\n-0001dbc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001dbd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001dbe0: 6d64 7479 7065 7326 2334 353b 2667 743b mdtypes->\n-0001dbf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001dc00: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720 cs_ewald -->.<g \n-0001dc10: 6964 3d22 6564 6765 3231 3122 2063 6c61 id=\"edge211\" cla\n-0001dc20: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001dc30: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001dc40: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n-0001dc50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001dc60: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n-0001dc70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001dc80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001dc90: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001dca0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001dcb0: 643d 224d 3135 3232 2e32 312c 2d37 3733 d=\"M1522.21,-773\n-0001dcc0: 2e37 3643 3134 3937 2e35 382c 2d37 3633 .76C1497.58,-763\n-0001dcd0: 2e38 3720 3134 3630 2e39 2c2d 3734 372e .87 1460.9,-747.\n-0001dce0: 3933 2031 3433 352e 3932 2c2d 3733 362e 93 1435.92,-736.\n-0001dcf0: 3335 222f 3e0a 3c70 6f6c 7967 6f6e 2066 35\"/>.<polygon f\n-0001dd00: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0001dd10: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0001dd20: 6f69 6e74 733d 2231 3433 372e 3139 2c2d oints=\"1437.19,-\n-0001dd30: 3733 332e 3038 2031 3432 362e 3635 2c2d 733.08 1426.65,-\n-0001dd40: 3733 312e 3939 2031 3433 342e 3231 2c2d 731.99 1434.21,-\n-0001dd50: 3733 392e 3431 2031 3433 372e 3139 2c2d 739.41 1437.19,-\n-0001dd60: 3733 332e 3038 222f 3e0a 3c2f 673e 0a3c 733.08\"/>.</g>.<\n-0001dd70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001dd80: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-0001dd90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001dda0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0001ddb0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001ddc0: 3231 3222 2063 6c61 7373 3d22 6564 6765 212\" class=\"edge\n-0001ddd0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001dde0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001ddf0: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-0001de00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001de10: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-0001de20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001de30: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-0001de40: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001de50: 6179 3d22 352c 3222 2064 3d22 4d31 3533 ay=\"5,2\" d=\"M153\n-0001de60: 362e 312c 2d37 3936 2e36 3843 3135 3232 6.1,-796.68C1522\n-0001de70: 2e36 312c 2d38 3036 2e31 3820 3135 3031 .61,-806.18 1501\n-0001de80: 2e30 392c 2d38 3230 2e30 3720 3134 3833 .09,-820.07 1483\n-0001de90: 2c2d 3833 332e 3331 2031 3433 322e 3039 ,-833.31 1432.09\n-0001dea0: 2c2d 3837 302e 3538 2031 3432 392e 3935 ,-870.58 1429.95\n-0001deb0: 2c2d 3839 352e 3839 2031 3337 332c 2d39 ,-895.89 1373,-9\n-0001dec0: 3233 2e30 3520 3132 3832 2e30 362c 2d39 23.05 1282.06,-9\n-0001ded0: 3636 2e34 3320 3937 322e 3937 2c2d 3130 66.43 972.97,-10\n-0001dee0: 3134 2e37 3520 3836 362e 3932 2c2d 3130 14.75 866.92,-10\n-0001def0: 3239 2e37 222f 3e0a 3c70 6f6c 7967 6f6e 29.7\"/>...\n-0001df70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n-0001dfe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001dff0: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n-0001e000: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001e010: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-0001e020: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001e030: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001e040: 2332 3832 6663 6322 2064 3d22 4d31 3532 #282fcc\" d=\"M152\n-0001e050: 312e 3131 2c2d 3739 332e 3543 3135 3135 1.11,-793.5C1515\n-0001e060: 2e37 382c 2d37 3934 2e37 3920 3135 3130 .78,-794.79 1510\n-0001e070: 2e32 342c 2d37 3936 2e31 2031 3530 352c .24,-796.1 1505,\n-0001e080: 2d37 3937 2e33 3120 3134 3432 2e33 352c -797.31 1442.35,\n-0001e090: 2d38 3131 2e38 3320 3133 3639 2e33 312c -811.83 1369.31,\n-0001e0a0: 2d38 3238 2e30 3620 3133 3233 2e37 322c -828.06 1323.72,\n-0001e0b0: 2d38 3337 2e35 3622 2f3e 0a3c 706f 6c79 -837.56\"/>.<poly\n-0001e0c0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001e0d0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001e0e0: 6363 2220 706f 696e 7473 3d22 3133 3232 cc\" points=\"1322\n-0001e0f0: 2e39 352c 2d38 3334 2e31 3520 3133 3133 .95,-834.15 1313\n-0001e100: 2e38 362c 2d38 3339 2e36 2031 3332 342e .86,-839.6 1324.\n-0001e110: 3336 2c2d 3834 312e 3031 2031 3332 322e 36,-841.01 1322.\n-0001e120: 3935 2c2d 3833 342e 3135 222f 3e0a 3c2f 95,-834.15\"/>.</\n-0001e130: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001e140: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-0001e150: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001e160: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0001e170: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22 mdec -->.<g id=\"\n-0001e180: 6564 6765 3230 3822 2063 6c61 7373 3d22 edge208\" class=\"\n-0001e190: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001e1a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e1b0: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n-0001e1c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001e1d0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n-0001e1e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001e1f0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0001e200: 2220 643d 224d 3135 3532 2e37 2c2d 3737 \" d=\"M1552.7,-77\n-0001e210: 302e 3335 4331 3536 352e 3336 2c2d 3735 0.35C1565.36,-75\n-0001e220: 302e 3538 2031 3539 352e 3736 2c2d 3731 0.58 1595.76,-71\n-0001e230: 302e 3338 2031 3631 332c 2d36 3731 2e35 0.38 1613,-671.5\n-0001e240: 3720 3136 3234 2e37 2c2d 3634 352e 3232 7 1624.7,-645.22\n-0001e250: 2031 3632 352e 3432 2c2d 3633 372e 3331 1625.42,-637.31\n-0001e260: 2031 3632 392c 2d36 3038 2e37 2031 3633 1629,-608.7 163\n-0001e270: 302e 3438 2c2d 3539 362e 3835 2031 3633 0.48,-596.85 163\n-0001e280: 312e 3832 2c2d 3539 332e 3434 2031 3632 1.82,-593.44 162\n-0001e290: 392c 2d35 3831 2e38 3320 3136 3236 2e37 9,-581.83 1626.7\n-0001e2a0: 352c 2d35 3732 2e35 3520 3136 3232 2e33 5,-572.55 1622.3\n-0001e2b0: 382c 2d35 3633 2e30 3520 3136 3138 2e34 8,-563.05 1618.4\n-0001e2c0: 372c 2d35 3534 2e39 3622 2f3e 0a3c 706f 7,-554.96\"/>.<po\n-0001e2d0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-0001e2e0: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-0001e2f0: 696e 7473 3d22 3136 3231 2e36 2c2d 3535 ints=\"1621.6,-55\n-0001e300: 332e 3338 2031 3631 342e 3131 2c2d 3534 3.38 1614.11,-54\n-0001e310: 352e 3839 2031 3631 352e 3239 2c2d 3535 5.89 1615.29,-55\n-0001e320: 362e 3432 2031 3632 312e 362c 2d35 3533 6.42 1621.6,-553\n-0001e330: 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .38\"/>.</g>.<!--\n-0001e340: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001e350: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n-0001e360: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e370: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n-0001e380: 0a3c 6720 6964 3d22 6564 6765 3231 3022 .<g id=\"edge210\"\n-0001e390: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001e3a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001e3b0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001e3c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001e3d0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0001e3e0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module\n-0001e5a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001e5b0: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-0001e5c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e5d0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-0001e5e0: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh..\n-0001e6e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-0001e750: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-0001e7a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e7b0: 735f 7365 6c65 6374 696f 6e3c 2f74 6974 s_selection</tit\n-0001e7c0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-0001e7d0: 6533 3922 3e3c 6120 786c 696e 6b3a 6872 e39\"><a xlink:hr\n-0001e7e0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n-0001e7f0: 655f 5f73 656c 6563 7469 6f6e 2e78 6874 e__selection.xht\n-0001e800: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70 ml\" target=\"_top\n-0001e810: 2220 786c 696e 6b3a 7469 746c 653d 2273 \" xlink:title=\"s\n-0001e820: 656c 6563 7469 6f6e 223e 0a3c 656c 6c69 election\">.<elli\n-0001e830: 7073 6520 6669 6c6c 3d22 2366 6663 6363 pse fill=\"#ffccc\n-0001e840: 6322 2073 7472 6f6b 653d 2262 6c61 636b c\" stroke=\"black\n-0001e850: 2220 6378 3d22 3936 3822 2063 793d 222d \" cx=\"968\" cy=\"-\n-0001e860: 3932 2e33 3122 2072 783d 2233 392e 3722 92.31\" rx=\"39.7\"\n-0001e870: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n-0001e880: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n-0001e890: 226d 6964 646c 6522 2078 3d22 3936 3822 \"middle\" x=\"968\"\n-0001e8a0: 2079 3d22 2d38 392e 3831 2220 666f 6e74 y=\"-89.81\" font\n-0001e8b0: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n-0001e8c0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n-0001e8d0: 2e30 3022 3e73 656c 6563 7469 6f6e 3c2f .00\">selection</\n-0001e8e0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n-0001e8f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001e900: 5f73 7263 5f67 726f 6d61 6373 5f73 656c _src_gromacs_sel\n-0001e910: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d ection->m\n-0001e920: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e930: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 s_options -->.<g\n-0001e940: 2069 643d 2265 6467 6532 3133 2220 636c id=\"edge213\" cl\n-0001e950: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001e960: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001e970: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-0001e980: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001e990: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n-0001e9a0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......modul\n-0001eb30: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n-0001eb40: 6c65 6374 696f 6e26 2334 353b 2667 743b lection->\n-0001eb50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001eb60: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n-0001eb70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001eb80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001eb90: 2332 3832 6663 6322 2064 3d22 4d39 3638 #282fcc\" d=\"M968\n-0001eba0: 2c2d 3738 2e36 3943 3936 382c 2d37 312e ,-78.69C968,-71.\n-0001ebb0: 3335 2039 3638 2c2d 3631 2e38 3620 3936 35 968,-61.86 96\n-0001ebc0: 382c 2d35 332e 3235 222f 3e0a 3c70 6f6c 8,-53.25\"/>.<pol\n-0001ebd0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-0001ebe0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-0001ebf0: 6663 6322 2070 6f69 6e74 733d 2239 3731 fcc\" points=\"971\n-0001ec00: 2e35 2c2d 3533 2e30 3320 3936 382c 2d34 .5,-53.03 968,-4\n-0001ec10: 332e 3033 2039 3634 2e35 2c2d 3533 2e30 3.03 964.5,-53.0\n-0001ec20: 3320 3937 312e 352c 2d35 332e 3033 222f 3 971.5,-53.03\"/\n-0001ec30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0001ec40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-0001ec50: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n-0001ec60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001ec70: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c acs_random -->.<\n-0001ec80: 6720 6964 3d22 6564 6765 3231 3522 2063 g id=\"edge215\" c\n-0001ec90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001eca0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001ecb0: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-0001ecc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001ecd0: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-0001ece0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om..\n-0001ee00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-0001f0b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f0c0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n-0001f0d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f0e0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-0001f0f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-0001f2a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0001f2b0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-0001f2c0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-0001f2d0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001f2e0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio.\n-0001f3b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-0001f4a0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n-0001f4b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001f4c0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-0001f4d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n-0001f5d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n-0001f640: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-0001f650: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n-0001f660: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f670: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n-0001f680: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001f690: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001f6a0: 6662 6622 2064 3d22 4d31 3339 382e 3735 fbf\" d=\"M1398.75\n-0001f6b0: 2c2d 3335 362e 3643 3134 3036 2e32 372c ,-356.6C1406.27,\n-0001f6c0: 2d33 3636 2e31 2031 3431 362e 3632 2c2d -366.1 1416.62,-\n-0001f6d0: 3337 392e 3939 2031 3432 342c 2d33 3933 379.99 1424,-393\n-0001f6e0: 2e32 3220 3134 3338 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module_src_groma\n-0001f7d0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-0001f7e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f7f0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n-0001f800: 0a3c 6720 6964 3d22 6564 6765 3231 3722 .<g id=\"edge217\"\n-0001f810: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001f820: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001f830: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-0001f840: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001f850: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0001f860: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib..\n-0001f970: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0001f9e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f9f0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-0001fa00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001fa10: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n-0001fa20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001fa30: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0001fa40: 6662 6662 6622 2064 3d22 4d31 3338 312e fbfbf\" d=\"M1381.\n-0001fa50: 3639 2c2d 3335 372e 3036 4331 3337 322e 69,-357.06C1372.\n-0001fa60: 382c 2d33 3731 2e39 3720 3133 3537 2e33 8,-371.97 1357.3\n-0001fa70: 342c 2d33 3937 2e39 2031 3334 342c 2d34 4,-397.9 1344,-4\n-0001fa80: 3230 2e30 3920 3133 3237 2e31 382c 2d34 20.09 1327.18,-4\n-0001fa90: 3438 2e30 3820 3133 3233 2e39 382c 2d34 48.08 1323.98,-4\n-0001faa0: 3535 2e37 3120 3133 3036 2c2d 3438 322e 55.71 1306,-482.\n-0001fab0: 3936 2031 3238 362e 3137 2c2d 3531 332e 96 1286.17,-513.\n-0001fac0: 3032 2031 3232 342e 3931 2c2d 3539 372e 02 1224.91,-597.\n-0001fad0: 3134 2031 3139 362e 3137 2c2d 3633 362e 14 1196.17,-636.\n-0001fae0: 3433 222f 3e0a 3c70 6f6c 7967 6f6e 2066 43\"/>.<polygon f\n-0001faf0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0001fb00: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0001fb10: 6f69 6e74 733d 2231 3139 332e 3031 2c2d oints=\"1193.01,-\n-0001fb20: 3633 342e 3833 2031 3138 392e 3933 2c2d 634.83 1189.93,-\n-0001fb30: 3634 342e 3936 2031 3139 382e 3636 2c2d 644.96 1198.66,-\n-0001fb40: 3633 382e 3936 2031 3139 332e 3031 2c2d 638.96 1193.01,-\n-0001fb50: 3633 342e 3833 222f 3e0a 3c2f 673e 0a3c 634.83\"/>.</g>.<\n-0001fb60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001fb70: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-0001fb80: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b onfunctions-\n-0001fb90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001fba0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0001fbb0: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n-0001fbc0: 6765 3232 3522 2063 6c61 7373 3d22 6564 ge225\" class=\"ed\n-0001fbd0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001fbe0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001fbf0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-0001fc00: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-0001fc10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001fc20: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-0001fc30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001fc40: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0001fc50: 3266 6363 2220 643d 224d 3439 382e 3031 2fcc\" d=\"M498.01\n-0001fc60: 2c2d 3130 3834 2e39 3143 3432 352e 382c ,-1084.91C425.8,\n-0001fc70: 2d31 3031 352e 3838 2037 372c 2d36 3735 -1015.88 77,-675\n-0001fc80: 2e31 3420 3737 2c2d 3533 332e 3420 3737 .14 77,-533.4 77\n-0001fc90: 2c2d 3533 332e 3420 3737 2c2d 3533 332e ,-533.4 77,-533.\n-0001fca0: 3420 3737 2c2d 3436 382e 3533 2037 372c 4 77,-468.53 77,\n-0001fcb0: 2d34 3033 2e32 3220 3832 2e31 372c 2d33 -403.22 82.17,-3\n-0001fcc0: 3737 2e38 3420 3132 372c 2d33 3330 2e33 77.84 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735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n-0001fdc0: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n-0001fdd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001fde0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-0001fdf0: 6720 6964 3d22 6564 6765 3232 3422 2063 g id=\"edge224\" c\n-0001fe00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001fe10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001fe20: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-0001fe30: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b onfunctions-\n-0001fe40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001fe50: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n-0001fe60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001fe70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001fe80: 2362 6662 6662 6622 2064 3d22 4d35 3538 #bfbfbf\" d=\"M558\n-0001fe90: 2e35 362c 2d31 3038 382e 3138 4336 3233 .56,-1088.18C623\n-0001fea0: 2e36 332c 2d31 3037 352e 3820 3733 382e .63,-1075.8 738.\n-0001feb0: 3837 2c2d 3130 3533 2e38 3820 3739 362e 87,-1053.88 796.\n-0001fec0: 3336 2c2d 3130 3432 2e39 3422 2f3e 0a3c 36,-1042.94\"/>.<\n-0001fed0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001fee0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001fef0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001ff00: 3739 372e 3233 2c2d 3130 3436 2e33 3420 797.23,-1046.34 \n-0001ff10: 3830 362e 342c 2d31 3034 312e 3033 2037 806.4,-1041.03 7\n-0001ff20: 3935 2e39 322c 2d31 3033 392e 3437 2037 95.92,-1039.47 7\n-0001ff30: 3937 2e32 332c 2d31 3034 362e 3334 222f 97.23,-1046.34\"/\n-0001ff40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0001ff50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001ff60: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-0001ff70: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-0001ff80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0001ff90: 6674 202d 2d3e 0a3c 6720 6964 3d22 6564 ft -->.<g id=\"ed\n-0001ffa0: 6765 3232 3322 2063 6c61 7373 3d22 6564 ge223\" class=\"ed\n-0001ffb0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001ffc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001ffd0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-0001ffe0: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-0001fff0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00020000: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft....<\n-00020130: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020140: 726f 6d61 6373 5f67 6d78 6c69 6226 2334 romacs_gmxlib\n-00020150: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00020160: 5f67 726f 6d61 6373 5f74 6162 6c65 7320 _gromacs_tables \n-00020170: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n-000201a0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-000201b0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-000201c0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-000201d0: 626c 6573 3c2f 7469 746c 653e 0a3c 7061 bles..\n-000203a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-000203f0: 3c67 2069 643d 2265 6467 6532 3236 2220 .module_src_\n-00020420: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-00020430: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00020440: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00020450: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline..\n-00020570: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-000205e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000205f0: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n-00020600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00020610: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald</title\n-00020620: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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6467 e227\" class=\"edg\n-00020800: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00020810: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00020820: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n-00020830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020840: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00020850: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-00020a50: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00020a60: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n-00020a70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020a80: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......modul\n-00020cd0: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n-00020ce0: 6170 2623 3435 3b26 6774 3b6d 6f64 756c ap->modul\n-00020cf0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020d00: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-00020d10: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00020d20: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00020d30: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00020d40: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00020d50: 4d31 3834 392e 3636 2c2d 3431 392e 3136 M1849.66,-419.16\n-00020d60: 4331 3839 352e 3835 2c2d 3436 362e 3137 C1895.85,-466.17\n-00020d70: 2032 3036 302e 3531 2c2d 3634 382e 3237 2060.51,-648.27\n-00020d80: 2031 3939 382c 2d37 3937 2e33 3120 3139 1998,-797.31 19\n-00020d90: 3936 2e30 372c 2d38 3031 2e39 3120 3139 96.07,-801.91 19\n-00020da0: 3338 2e30 382c 2d38 3537 2e33 3120 3139 38.08,-857.31 19\n-00020db0: 3334 2c2d 3836 302e 3138 2031 3838 312e 34,-860.18 1881.\n-00020dc0: 3532 2c2d 3839 372e 3133 2031 3836 352e 52,-897.13 1865.\n-00020dd0: 3739 2c2d 3930 352e 3731 2031 3830 342c 79,-905.71 1804,\n-00020de0: 2d39 3233 2e30 3520 3136 3438 2e37 312c -923.05 1648.71,\n-00020df0: 2d39 3636 2e36 3320 3134 3536 2e37 382c -966.63 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2d20 6d6f 6475 6c65 </g>.<!-- module\n-00021be0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00021bf0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00021c00: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-00021c10: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n-00021c20: 6532 3533 2220 636c 6173 733d 2265 6467 e253\" class=\"edg\n-00021c30: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00021c40: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00021c50: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00021c60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00021c70: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md...<\n-00021d70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gr\n-00021df0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-00021e00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00021e10: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-00021e20: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....<\n-00021f50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00021f60: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00021f70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00021f80: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n-00021f90: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265 ine -->..mod\n-00021fc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00021fd0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00021fe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00021ff0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n-00022000: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00022010: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n-00022020: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n-00022030: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00022040: 4d31 3135 322e 3637 2c2d 3635 362e 3637 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module_src_g\n-000222f0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00022300: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00022310: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n-00022320: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235 ->.\n-00022340: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00022350: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-00022360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00022370: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00022380: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io......module_src_gr\n-00022510: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-00022520: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00022530: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-00022540: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-00022620: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00022630: 726f 6d61 6373 5f6d 646c 6962 2623 3435 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5f73 7263 5;>module_src\n-00022a00: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-00022a10: 666f 7263 6573 202d 2d3e 0a3c 6720 6964 forces -->.<g id\n-00022a20: 3d22 6564 6765 3234 3822 2063 6c61 7373 =\"edge248\" class\n-00022a30: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00022a40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022a50: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-00022a60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00022a70: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-00022a80: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n-00022bd0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-00022c40: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00022c50: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00022c60: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00022c70: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061 mpat..<\n-00022d10: 706f 6c79 676f 6e20 6669 6c6c 3d22 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nts=\"1201.16,-74\n+0000fa90: 312e 3132 2031 3230 382c 2d37 3333 2e30 1.12 1208,-733.0\n+0000faa0: 3220 3131 3937 2e36 312c 2d37 3335 2e30 2 1197.61,-735.0\n+0000fab0: 3920 3132 3031 2e31 362c 2d37 3431 2e31 9 1201.16,-741.1\n+0000fac0: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n+0000fad0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fae0: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+0000faf0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000fb00: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000fb10: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964 es_awh -->.<g id\n+0000fb20: 3d22 6564 6765 3832 2220 636c 6173 733d =\"edge82\" class=\n+0000fb30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000fb40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fb50: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+0000fb60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000fb70: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000fb80: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c es_awh.<\n+0000fb90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000fba0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000fbb0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000fbc0: 6179 3d22 352c 3222 2064 3d22 4d31 3031 ay=\"5,2\" d=\"M101\n+0000fbd0: 352e 3035 2c2d 3834 302e 3231 4331 3030 5.05,-840.21C100\n+0000fbe0: 362e 3636 2c2d 3833 372e 3736 2039 3937 6.66,-837.76 997\n+0000fbf0: 2e34 352c 2d38 3335 2e30 3420 3938 392c .45,-835.04 989,\n+0000fc00: 2d38 3333 2e33 3120 3834 362e 322c 2d38 -833.31 846.2,-8\n+0000fc10: 3034 2e30 3320 3830 352e 382c 2d38 3236 04.03 805.8,-826\n+0000fc20: 2e35 3920 3636 332c 2d37 3937 2e33 3120 .59 663,-797.31 \n+0000fc30: 3636 312e 3733 2c2d 3739 372e 3035 2036 661.73,-797.05 6\n+0000fc40: 3630 2e34 342c 2d37 3936 2e37 3720 3635 60.44,-796.77 65\n+0000fc50: 392e 3135 2c2d 3739 362e 3437 222f 3e0a 9.15,-796.47\"/>.\n+0000fc60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n+0000fcd0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+0000fed0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000fee0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n+0000fef0: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n+0000ff00: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils....<\n+00010030: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010040: 726f 6d61 6373 5f70 6263 7574 696c 202d romacs_pbcutil -\n+00010050: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3134 ->..\n+00010070: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00010080: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n+00010090: 6c3c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 l..\n+000100f0: 3c74 6578 7420 7465 7874 2d61 6e63 686f pbcutil\n+00010150: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....module\n+000101d0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+000101e0: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+000101f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010200: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00010210: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00010220: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00010230: 6662 6622 2064 3d22 4d31 3838 352e 3636 fbf\" d=\"M1885.66\n+00010240: 2c2d 3634 342e 3532 4331 3838 362e 3633 ,-644.52C1886.63\n+00010250: 2c2d 3633 372e 3120 3138 3837 2e39 2c2d ,-637.1 1887.9,-\n+00010260: 3632 372e 3438 2031 3838 392e 3034 2c2d 627.48 1889.04,-\n+00010270: 3631 382e 3739 222f 3e0a 3c70 6f6c 7967 618.79\"/>.<polyg\n+00010280: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00010290: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+000102a0: 6622 2070 6f69 6e74 733d 2231 3839 322e f\" points=\"1892.\n+000102b0: 3531 2c2d 3631 392e 3233 2031 3839 302e 51,-619.23 1890.\n+000102c0: 3334 2c2d 3630 382e 3836 2031 3838 352e 34,-608.86 1885.\n+000102d0: 3537 2c2d 3631 382e 3332 2031 3839 322e 57,-618.32 1892.\n+000102e0: 3531 2c2d 3631 392e 3233 222f 3e0a 3c2f 51,-619.23\"/>.</\n+000102f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00010300: 7263 5f67 726f 6d61 6373 5f72 6573 7472 rc_gromacs_restr\n+00010310: 6169 6e74 2623 3435 3b26 6774 3b6d 6f64 aint->mod\n+00010320: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010330: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964 domdec -->.<g id\n+00010340: 3d22 6564 6765 3930 2220 636c 6173 733d =\"edge90\" class=\n+00010350: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00010360: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010370: 735f 7265 7374 7261 696e 7426 2334 353b s_restraint-\n+00010380: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00010390: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+000103a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000103b0: 3d22 6e6f 6e65 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0a3c 321.16\"/>.</g>.<\n+000104a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000104b0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+000104c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000104d0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000104e0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+000104f0: 6765 3931 2220 636c 6173 733d 2265 6467 ge91\" class=\"edg\n+00010500: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00010510: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+00010520: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n+00010530: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00010540: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00010550: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00010560: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00010570: 6662 6622 2064 3d22 4d31 3631 322e 3236 fbf\" d=\"M1612.26\n+00010580: 2c2d 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6d61 6373 dule_src_gromacs\n+00010670: 5f72 6573 7472 6169 6e74 2623 3435 3b26 _restraint-&\n+00010680: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00010690: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes --\n+000106a0: 3e0a 3c67 2069 643d 2265 6467 6538 3922 >.<g id=\"edge89\"\n+000106b0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+000106c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000106d0: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n+000106e0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+000106f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00010700: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......module_src_grom\n+00010870: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+00010880: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..math...\n+00010980: 3c67 2069 643d 2265 6467 6539 3522 2063 .module_src_g\n+000109b0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+000109c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000109d0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+000109e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00010ad0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module\n+00010b90: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+00010ba0: 6c69 7479 3c2f 7469 746c 653e 0a3c 6720 lity..\n+00010c10: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .u\n+00010cc0: 7469 6c69 7479 3c2f 7465 7874 3e0a 3c2f tility......module\n+00010d50: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+00010d60: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d _utils->m\n+00010d70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010d80: 735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n+00010d90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00010da0: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00010db0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00010dc0: 6172 7261 793d 2235 2c32 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cs_gpu_utils-\n+00010eb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00010ec0: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d gromacs_nbnxm --\n+00010ed0: 3e0a 3c67 2069 643d 2265 6467 6539 3422 >.<g id=\"edge94\"\n+00010ee0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00010ef0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00010f00: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+00010f10: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00010f20: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00010f30: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm...\n+00011030: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+00011080: 6720 6964 3d22 6564 6765 3932 2220 636c g id=\"edge92\" cl\n+00011090: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+000110b0: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n+000110c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000110d0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+000110e0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are.\n+00011220: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n+00011300: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+00011310: 755f 7574 696c 7326 2334 353b 2667 743b u_utils->\n+00011320: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011330: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00011340: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00011350: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00011360: 6266 6266 2220 643d 224d 3138 3632 2e33 bfbf\" d=\"M1862.3\n+00011370: 362c 2d36 3034 2e32 3843 3138 3135 2e38 6,-604.28C1815.8\n+00011380: 342c 2d36 3135 2e37 3520 3137 3235 2e38 4,-615.75 1725.8\n+00011390: 392c 2d36 3336 2e37 3420 3136 3732 2e38 9,-636.74 1672.8\n+000113a0: 322c 2d36 3438 2e35 3222 2f3e 0a3c 706f 2,-648.52\"/>.<po\n+000113b0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+000113c0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+000113d0: 6266 6266 2220 706f 696e 7473 3d22 3136 bfbf\" points=\"16\n+000113e0: 3732 2e30 352c 2d36 3435 2e31 3120 3136 72.05,-645.11 16\n+000113f0: 3633 2e30 342c 2d36 3530 2e36 3820 3136 63.04,-650.68 16\n+00011400: 3733 2e35 362c 2d36 3531 2e39 3420 3136 73.56,-651.94 16\n+00011410: 3732 2e30 352c 2d36 3435 2e31 3122 2f3e 72.05,-645.11\"/>\n+00011420: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00011430: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+00011440: 7468 2623 3435 3b26 6774 3b6d 6f64 756c th->modul\n+00011450: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00011460: 7370 616e 202d 2d3e 0a3c 6720 6964 3d22 span -->.<g id=\"\n+00011470: 6564 6765 3937 2220 636c 6173 733d 2265 edge97\" class=\"e\n+00011480: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00011490: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000114a0: 6d61 7468 2623 3435 3b26 6774 3b6d 6f64 math->mod\n+000114b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000114c0: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c mdspan.<\n+000114d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000114e0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+000114f0: 224d 3533 302e 3031 2c2d 3834 2e34 3443 \"M530.01,-84.44C\n+00011500: 3439 362e 3737 2c2d 3734 2e30 3620 3433 496.77,-74.06 43\n+00011510: 332e 3336 2c2d 3534 2e32 3720 3339 332e 3.36,-54.27 393.\n+00011520: 3233 2c2d 3431 2e37 3422 2f3e 0a3c 706f 23,-41.74\"/>.\n+00011590: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n+000115e0: 0a3c 6720 6964 3d22 6564 6765 3130 3022 ..<\n+00011600: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00011610: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00011620: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00011630: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00011640: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+00011650: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+000119e0: 3c67 2069 643d 2265 6467 6531 3033 2220 .module_src_\n+00011a10: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+00011a20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00011a30: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00011a40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n+00011d90: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+00011da0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n+00011db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011dc0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+00011dd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+00011f20: 3c67 2069 643d 2265 6467 6539 3922 2063 .module_src_g\n+00011f50: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00011f60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00011f70: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00011f80: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....<\n+000120f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00012100: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00012110: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012120: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00012130: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->..\n+00012160: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012170: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+00012180: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00012190: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000121a0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty....\n+000122f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+00012340: 0a3c 6720 6964 3d22 6564 6765 3130 3522 ..<\n+00012360: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00012370: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00012380: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00012390: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000123a0: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline..\n+00012460: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ....module_src_grom\n+00012550: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00012560: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00012570: 5f73 7263 5f67 726f 6d61 6373 5f66 6674 _src_gromacs_fft\n+00012580: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n+000129f0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00012a00: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+00012a10: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00012a20: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061 xana......module\n+00012b90: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00012ba0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00012bb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00012bc0: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options</t\n+00012bd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00012be0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00012bf0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00012c00: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00012c10: 643d 224d 3133 3834 2e33 392c 2d31 3039 d=\"M1384.39,-109\n+00012c20: 342e 3439 4331 3136 392e 3538 2c2d 3130 4.49C1169.58,-10\n+00012c30: 3833 2e37 3220 3431 322e 3239 2c2d 3130 83.72 412.29,-10\n+00012c40: 3432 2e30 3520 3332 312c 2d39 3835 2e39 42.05 321,-985.9\n+00012c50: 3220 3139 362e 3538 2c2d 3930 392e 3432 2 196.58,-909.42\n+00012c60: 2032 3331 2e31 312c 2d34 3639 2e39 3720 231.11,-469.97 \n+00012c70: 3237 342c 2d33 3330 2e33 3520 3239 322e 274,-330.35 292.\n+00012c80: 3133 2c2d 3237 312e 3334 2032 3935 2e37 13,-271.34 295.7\n+00012c90: 382c 2d32 3533 2e38 3520 3333 332c 2d32 8,-253.85 333,-2\n+00012ca0: 3034 2e36 3120 3334 312e 342c 2d31 3933 04.61 341.4,-193\n+00012cb0: 2e35 2033 3532 2e34 342c 2d31 3832 2e36 .5 352.44,-182.6\n+00012cc0: 3720 3336 322e 312c 2d31 3734 2e30 3922 7 362.1,-174.09\"\n+00012cd0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00012ce0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00012cf0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00012d00: 7473 3d22 3336 342e 3531 2c2d 3137 362e ts=\"364.51,-176.\n+00012d10: 3632 2033 3639 2e38 2c2d 3136 372e 3434 62 369.8,-167.44\n+00012d20: 2033 3539 2e39 342c 2d31 3731 2e33 3220 359.94,-171.32 \n+00012d30: 3336 342e 3531 2c2d 3137 362e 3632 222f 364.51,-176.62\"/\n+00012d40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00012d50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00012d60: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00012d70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012d80: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n+00012d90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130 ->.<g id=\"edge10\n+00012da0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+00012db0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00012dc0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+00012dd0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+00012de0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012df0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+00012e00: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00012e10: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00012e20: 6266 6266 2220 643d 224d 3134 3030 2e33 bfbf\" d=\"M1400.3\n+00012e30: 352c 2d31 3038 382e 3436 4331 3337 352e 5,-1088.46C1375.\n+00012e40: 3239 2c2d 3130 3831 2e33 3120 3133 3433 29,-1081.31 1343\n+00012e50: 2e38 362c 2d31 3036 392e 3031 2031 3332 .86,-1069.01 132\n+00012e60: 322c 2d31 3034 382e 3739 2031 3238 392e 2,-1048.79 1289.\n+00012e70: 3234 2c2d 3130 3138 2e35 2031 3330 342e 24,-1018.5 1304.\n+00012e80: 3139 2c2d 3939 342e 3432 2031 3237 372c 19,-994.42 1277,\n+00012e90: 2d39 3539 2e30 3520 3132 3531 2e33 312c -959.05 1251.31,\n+00012ea0: 2d39 3235 2e36 3420 3132 3432 2e39 322c -925.64 1242.92,\n+00012eb0: 2d39 3136 2e35 3220 3132 3036 2c2d 3839 -916.52 1206,-89\n+00012ec0: 362e 3138 2031 3136 332e 3935 2c2d 3837 6.18 1163.95,-87\n+00012ed0: 332e 3031 2031 3130 392e 3639 2c2d 3835 3.01 1109.69,-85\n+00012ee0: 392e 3934 2031 3037 342e 3632 2c2d 3835 9.94 1074.62,-85\n+00012ef0: 332e 3336 222f 3e0a 3c70 6f6c 7967 6f6e 3.36\"/>.<polygon\n+00012f00: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00012f10: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00012f20: 2070 6f69 6e74 733d 2231 3037 342e 3835 points=\"1074.85\n+00012f30: 2c2d 3834 392e 3834 2031 3036 342e 3339 ,-849.84 1064.39\n+00012f40: 2c2d 3835 312e 3532 2031 3037 332e 3631 ,-851.52 1073.61\n+00012f50: 2c2d 3835 362e 3733 2031 3037 342e 3835 ,-856.73 1074.85\n+00012f60: 2c2d 3834 392e 3834 222f 3e0a 3c2f 673e ,-849.84\"/>.</g>\n+00012f70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00012f80: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00012f90: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00012fa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012fb0: 735f 696d 6420 2d2d 3e0a 3c67 2069 643d s_imd -->.<g id=\n+00012fc0: 2265 6467 6531 3136 2220 636c 6173 733d \"edge116\" class=\n+00012fd0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00012fe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012ff0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00013000: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00013010: 7263 5f67 726f 6d61 6373 5f69 6d64 3c2f rc_gromacs_imd</\n+00013020: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00013030: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00013040: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00013050: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00013060: 2064 3d22 4d31 3435 392e 3132 2c2d 3130 d=\"M1459.12,-10\n+00013070: 3835 2e31 3543 3134 3836 2e34 342c 2d31 85.15C1486.44,-1\n+00013080: 3036 352e 3333 2031 3533 352c 2d31 3032 065.33 1535,-102\n+00013090: 332e 3133 2031 3533 352c 2d39 3733 2e34 3.13 1535,-973.4\n+000130a0: 3920 3135 3335 2c2d 3937 332e 3439 2031 9 1535,-973.49 1\n+000130b0: 3533 352c 2d39 3733 2e34 3920 3135 3335 535,-973.49 1535\n+000130c0: 2c2d 3738 322e 3838 2031 3533 352c 2d35 ,-782.88 1535,-5\n+000130d0: 3830 2e35 3320 3135 3136 2e37 382c 2d35 80.53 1516.78,-5\n+000130e0: 3330 2e31 3920 3134 3835 2c2d 3333 302e 30.19 1485,-330.\n+000130f0: 3335 2031 3438 302e 3535 2c2d 3330 322e 35 1480.55,-302.\n+00013100: 3334 2031 3438 322e 3134 2c2d 3239 342e 34 1482.14,-294.\n+00013110: 3635 2031 3437 342c 2d32 3637 2e34 3820 65 1474,-267.48 \n+00013120: 3134 3731 2e33 312c 2d32 3538 2e34 3920 1471.31,-258.49 \n+00013130: 3134 3637 2e34 312c 2d32 3438 2e39 3520 1467.41,-248.95 \n+00013140: 3134 3633 2e37 2c2d 3234 302e 3733 222f 1463.7,-240.73\"/\n+00013150: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00013160: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00013170: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00013180: 733d 2231 3436 362e 3738 2c2d 3233 392e s=\"1466.78,-239.\n+00013190: 3035 2031 3435 392e 3337 2c2d 3233 312e 05 1459.37,-231.\n+000131a0: 3439 2031 3436 302e 3434 2c2d 3234 322e 49 1460.44,-242.\n+000131b0: 3033 2031 3436 362e 3738 2c2d 3233 392e 03 1466.78,-239.\n+000131c0: 3035 222f 3e0a 3c2f 673e 0a3c 212d 2d20 05\"/>.</g>.<!-- \n+000131d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000131e0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+000131f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00013200: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00013210: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+00013220: 6531 3131 2220 636c 6173 733d 2265 6467 e111\" class=\"edg\n+00013230: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00013240: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00013250: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00013260: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013270: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n+00013280: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00013290: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000132a0: 6266 6266 6266 2220 643d 224d 3133 3832 bfbfbf\" d=\"M1382\n+000132b0: 2e36 352c 2d31 3039 362e 3437 4331 3232 .65,-1096.47C122\n+000132c0: 352e 3838 2c2d 3130 3933 2e39 3720 3739 5.88,-1093.97 79\n+000132d0: 382e 3138 2c2d 3130 3834 2e30 3420 3636 8.18,-1084.04 66\n+000132e0: 322c 2d31 3034 382e 3739 2035 3939 2e30 2,-1048.79 599.0\n+000132f0: 392c 2d31 3033 322e 3531 2035 3638 2e35 9,-1032.51 568.5\n+00013300: 312c 2d31 3033 382e 3236 2035 3330 2c2d 1,-1038.26 530,-\n+00013310: 3938 352e 3932 2035 3036 2e32 352c 2d39 985.92 506.25,-9\n+00013320: 3533 2e36 3320 3531 342e 3537 2c2d 3933 53.63 514.57,-93\n+00013330: 352e 3735 2035 3231 2c2d 3839 362e 3138 5.75 521,-896.18\n+00013340: 2035 3437 2e33 352c 2d37 3334 2e31 3320 547.35,-734.13 \n+00013350: 3539 382e 3135 2c2d 3639 372e 3136 2037 598.15,-697.16 7\n+00013360: 3135 2c2d 3538 312e 3833 2037 3530 2e37 15,-581.83 750.7\n+00013370: 372c 2d35 3436 2e35 3220 3736 332e 3331 7,-546.52 763.31\n+00013380: 2c2d 3533 392e 3920 3830 392c 2d35 3138 ,-539.9 809,-518\n+00013390: 2e39 3620 3835 342e 3738 2c2d 3439 372e .96 854.78,-497.\n+000133a0: 3938 2039 3131 2e35 362c 2d34 3834 2e33 98 911.56,-484.3\n+000133b0: 3220 3934 372e 3739 2c2d 3437 372e 3032 2 947.79,-477.02\n+000133c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+000133d0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+000133e0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+000133f0: 6e74 733d 2239 3438 2e37 352c 2d34 3830 nts=\"948.75,-480\n+00013400: 2e34 2039 3537 2e38 392c 2d34 3735 2e30 .4 957.89,-475.0\n+00013410: 3420 3934 372e 342c 2d34 3733 2e35 3320 4 947.4,-473.53 \n+00013420: 3934 382e 3735 2c2d 3438 302e 3422 2f3e 948.75,-480.4\"/>\n+00013430: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00013440: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00013450: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00013460: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013470: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n+00013480: 3e0a 3c67 2069 643d 2265 6467 6531 3130 >.<g id=\"edge110\n+00013490: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000134a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000134b0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+000134c0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+000134d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000134e0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+000134f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00013500: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00013510: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00013520: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00013530: 3134 3839 2e35 372c 2d31 3039 302e 3534 1489.57,-1090.54\n+00013540: 4331 3538 362e 3134 2c2d 3130 3735 2e38 C1586.14,-1075.8\n+00013550: 3820 3137 3933 2c2d 3130 3337 2e30 3520 8 1793,-1037.05 \n+00013560: 3137 3933 2c2d 3937 332e 3439 2031 3739 1793,-973.49 179\n+00013570: 332c 2d39 3733 2e34 3920 3137 3933 2c2d 3,-973.49 1793,-\n+00013580: 3937 332e 3439 2031 3739 332c 2d38 3435 973.49 1793,-845\n+00013590: 2e37 3520 3137 3933 2c2d 3736 302e 3932 .75 1793,-760.92\n+000135a0: 2031 3735 332c 2d37 3433 2e39 3620 3137 1753,-743.96 17\n+000135b0: 3533 2c2d 3635 392e 3134 2031 3735 332c 53,-659.14 1753,\n+000135c0: 2d36 3539 2e31 3420 3137 3533 2c2d 3635 -659.14 1753,-65\n+000135d0: 392e 3134 2031 3735 332c 2d35 3934 2e32 9.14 1753,-594.2\n+000135e0: 3720 3137 3533 2c2d 3530 322e 3737 2031 7 1753,-502.77 1\n+000135f0: 3639 322e 3236 2c2d 3430 362e 3133 2031 692.26,-406.13 1\n+00013600: 3636 332e 3137 2c2d 3336 352e 3122 2f3e 663.17,-365.1\"/>\n+00013610: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00013620: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00013630: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00013640: 3d22 3136 3636 2e30 312c 2d33 3633 2e30 =\"1666.01,-363.0\n+00013650: 3520 3136 3537 2e33 322c 2d33 3536 2e39 5 1657.32,-356.9\n+00013660: 3920 3136 3630 2e33 332c 2d33 3637 2e31 9 1660.33,-367.1\n+00013670: 3520 3136 3636 2e30 312c 2d33 3633 2e30 5 1666.01,-363.0\n+00013680: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n+00013690: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000136a0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+000136b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000136c0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+000136d0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000136e0: 3131 3422 2063 6c61 7373 3d22 6564 6765 114\" class=\"edge\n+000136f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00013700: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00013710: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00013720: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013730: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+00013740: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00013750: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00013760: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00013770: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00013780: 224d 3134 3939 2e35 362c 2d31 3039 362e \"M1499.56,-1096.\n+00013790: 3632 4331 3637 352e 362c 2d31 3039 342e 62C1675.6,-1094.\n+000137a0: 3420 3231 3931 2e39 342c 2d31 3038 342e 4 2191.94,-1084.\n+000137b0: 3835 2032 3235 382c 2d31 3034 382e 3739 85 2258,-1048.79\n+000137c0: 2032 3239 342e 3338 2c2d 3130 3238 2e39 2294.38,-1028.9\n+000137d0: 3420 3233 3133 2c2d 3130 3134 2e39 3320 4 2313,-1014.93 \n+000137e0: 3233 3133 2c2d 3937 332e 3439 2032 3331 2313,-973.49 231\n+000137f0: 332c 2d39 3733 2e34 3920 3233 3133 2c2d 3,-973.49 2313,-\n+00013800: 3937 332e 3439 2032 3331 332c 2d39 3038 973.49 2313,-908\n+00013810: 2e36 3220 3233 3133 2c2d 3832 352e 3220 .62 2313,-825.2 \n+00013820: 3233 3333 2c2d 3830 352e 3432 2032 3333 2333,-805.42 233\n+00013830: 332c 2d37 3232 2e30 3120 3233 3333 2c2d 3,-722.01 2333,-\n+00013840: 3732 322e 3031 2032 3333 332c 2d37 3232 722.01 2333,-722\n+00013850: 2e30 3120 3233 3333 2c2d 3533 312e 3420 .01 2333,-531.4 \n+00013860: 3233 3333 2c2d 3434 372e 3938 2032 3331 2333,-447.98 231\n+00013870: 332c 2d34 3238 2e32 2032 3331 332c 2d33 3,-428.2 2313,-3\n+00013880: 3434 2e37 3920 3233 3133 2c2d 3334 342e 44.79 2313,-344.\n+00013890: 3739 2032 3331 332c 2d33 3434 2e37 3920 79 2313,-344.79 \n+000138a0: 3233 3133 2c2d 3237 392e 3932 2032 3331 2313,-279.92 231\n+000138b0: 332c 2d32 3234 2e36 3120 3232 3530 2e35 3,-224.61 2250.5\n+000138c0: 352c 2d31 3836 2e38 3420 3232 3131 2e35 5,-186.84 2211.5\n+000138d0: 362c 2d31 3638 2e36 3522 2f3e 0a3c 706f 6,-168.65\"/>.<po\n+000138e0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+000138f0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+00013900: 3266 6363 2220 706f 696e 7473 3d22 3232 2fcc\" points=\"22\n+00013910: 3132 2e37 362c 2d31 3635 2e33 3620 3232 12.76,-165.36 22\n+00013920: 3032 2e32 312c 2d31 3634 2e34 3520 3232 02.21,-164.45 22\n+00013930: 3039 2e39 2c2d 3137 312e 3734 2032 3231 09.9,-171.74 221\n+00013940: 322e 3736 2c2d 3136 352e 3336 222f 3e0a 2.76,-165.36\"/>.\n+00013950: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00013960: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00013970: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00013980: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013990: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+000139a0: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265 ces -->.<g id=\"e\n+000139b0: 6467 6531 3230 2220 636c 6173 733d 2265 dge120\" class=\"e\n+000139c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000139d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000139e0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+000139f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00013a00: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00013a10: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+00013a20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00013a30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00013a40: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00013a50: 6179 3d22 352c 3222 2064 3d22 4d31 3439 ay=\"5,2\" d=\"M149\n+00013a60: 392e 3538 2c2d 3130 3937 2e33 3343 3136 9.58,-1097.33C16\n+00013a70: 3439 2e34 342c 2d31 3039 362e 3033 2032 49.44,-1096.03 2\n+00013a80: 3033 352c 2d31 3038 322e 3132 2032 3033 035,-1082.12 203\n+00013a90: 352c 2d39 3733 2e34 3920 3230 3335 2c2d 5,-973.49 2035,-\n+00013aa0: 3937 332e 3439 2032 3033 352c 2d39 3733 973.49 2035,-973\n+00013ab0: 2e34 3920 3230 3335 2c2d 3732 302e 3031 .49 2035,-720.01\n+00013ac0: 2032 3033 352c 2d36 3038 2e37 2032 3031 2035,-608.7 201\n+00013ad0: 332c 2d35 3831 2e38 3420 3230 3133 2c2d 3,-581.84 2013,-\n+00013ae0: 3437 302e 3533 2032 3031 332c 2d34 3730 470.53 2013,-470\n+00013af0: 2e35 3320 3230 3133 2c2d 3437 302e 3533 .53 2013,-470.53\n+00013b00: 2032 3031 332c 2d34 3035 2e36 3620 3230 2013,-405.66 20\n+00013b10: 3133 2c2d 3332 342e 3431 2031 3932 382e 13,-324.41 1928.\n+00013b20: 3831 2c2d 3334 382e 3232 2031 3836 382c 81,-348.22 1868,\n+00013b30: 2d32 3934 2e33 3520 3138 3236 2e31 392c -294.35 1826.19,\n+00013b40: 2d32 3537 2e33 3120 3138 3230 2e38 382c -257.31 1820.88,\n+00013b50: 2d32 3432 2e36 3820 3137 3830 2c2d 3230 -242.68 1780,-20\n+00013b60: 342e 3631 2031 3736 392e 3035 2c2d 3139 4.61 1769.05,-19\n+00013b70: 342e 3432 2031 3735 362e 3431 2c2d 3138 4.42 1756.41,-18\n+00013b80: 332e 3539 2031 3734 352e 3832 2c2d 3137 3.59 1745.82,-17\n+00013b90: 342e 3736 222f 3e0a 3c70 6f6c 7967 6f6e 4.76\"/>..\n+00013c10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00013c90: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00013ca0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00013cb0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00013cc0: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm....\n+00013e50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_grom\n+00013ed0: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00013ee0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00013ef0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+00013f00: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom..\n+000140b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n+000143c0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+000143d0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+000143e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000143f0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+00014400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00014410: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00014420: 2220 643d 224d 3134 3733 2e39 352c 2d31 \" d=\"M1473.95,-1\n+00014430: 3038 362e 3938 4331 3439 342e 3835 2c2d 086.98C1494.85,-\n+00014440: 3130 3739 2e31 3720 3135 3231 2e33 372c 1079.17 1521.37,\n+00014450: 2d31 3036 362e 3638 2031 3534 302c 2d31 -1066.68 1540,-1\n+00014460: 3034 382e 3739 2031 3630 382c 2d39 3833 048.79 1608,-983\n+00014470: 2e35 3120 3136 3136 2e30 362c 2d39 3532 .51 1616.06,-952\n+00014480: 2e30 3920 3136 3337 2c2d 3836 302e 3138 .09 1637,-860.18\n+00014490: 2031 3635 312e 3438 2c2d 3739 362e 3636 1651.48,-796.66\n+000144a0: 2031 3634 312e 3636 2c2d 3731 382e 3933 1641.66,-718.93\n+000144b0: 2031 3633 352e 3238 2c2d 3638 312e 3435 1635.28,-681.45\n+000144c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>....<\n+00014590: 6720 6964 3d22 6564 6765 3131 3822 2063 g id=\"edge118\" c\n+000145a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000145c0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+000145d0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+000145e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000145f0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility....\n+000147b0: 0a3c 6720 6964 3d22 6564 6765 3131 3322 ..<\n+000147d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000147e0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+000147f0: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00014800: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014810: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00014820: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh......module_src_gr\n+000149f0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00014a00: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00014a10: 6c65 5f73 7263 5f74 6573 7475 7469 6c73 le_src_testutils\n+00014a20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+00014ac0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n+00014ba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014bb0: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n+00014bc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014bd0: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+00014be0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00014bf0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00014c00: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+00014c10: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00014c20: 3134 3536 2e39 382c 2d32 3331 2e36 3743 1456.98,-231.67C\n+00014c30: 3134 3539 2e39 2c2d 3234 312e 3337 2031 1459.9,-241.37 1\n+00014c40: 3436 332e 3733 2c2d 3235 352e 3135 2031 463.73,-255.15 1\n+00014c50: 3436 362c 2d32 3637 2e34 3820 3134 3837 466,-267.48 1487\n+00014c60: 2e33 352c 2d33 3833 2e34 3420 3134 3933 .35,-383.44 1493\n+00014c70: 2c2d 3431 332e 3439 2031 3439 332c 2d35 ,-413.49 1493,-5\n+00014c80: 3331 2e34 2031 3439 332c 2d35 3936 2e32 31.4 1493,-596.2\n+00014c90: 3720 3134 3933 2c2d 3539 362e 3237 2031 7 1493,-596.27 1\n+00014ca0: 3439 332c 2d35 3936 2e32 3720 3134 3933 493,-596.27 1493\n+00014cb0: 2c2d 3633 302e 3033 2031 3530 302e 3632 ,-630.03 1500.62\n+00014cc0: 2c2d 3634 322e 3737 2031 3438 332c 2d36 ,-642.77 1483,-6\n+00014cd0: 3731 2e35 3720 3134 3036 2e30 332c 2d37 71.57 1406.03,-7\n+00014ce0: 3937 2e33 3620 3133 3332 2e36 322c 2d37 97.36 1332.62,-7\n+00014cf0: 3738 2e32 3520 3132 3130 2c2d 3836 302e 78.25 1210,-860.\n+00014d00: 3138 2031 3139 342e 3335 2c2d 3837 302e 18 1194.35,-870.\n+00014d10: 3633 2031 3137 362e 3638 2c2d 3838 322e 63 1176.68,-882.\n+00014d20: 3037 2031 3136 322e 3432 2c2d 3839 312e 07 1162.42,-891.\n+00014d30: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n+00014d40: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+00014d50: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+00014d60: 3d22 3131 3630 2e31 342c 2d38 3838 2e35 =\"1160.14,-888.5\n+00014d70: 2031 3135 332e 362c 2d38 3936 2e38 3320 1153.6,-896.83 \n+00014d80: 3131 3633 2e39 312c 2d38 3934 2e34 2031 1163.91,-894.4 1\n+00014d90: 3136 302e 3134 2c2d 3838 382e 3522 2f3e 160.14,-888.5\"/>\n+00014da0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00014db0: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+00014dc0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+00014dd0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00014de0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265 eio -->.<g id=\"e\n+00014df0: 6467 6531 3235 2220 636c 6173 733d 2265 dge125\" class=\"e\n+00014e00: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00014e10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014e20: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+00014e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00014e40: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio..<\n+00014f10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00014f20: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00014f30: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00014f40: 3130 3432 2e38 352c 2d38 3232 2e34 3720 1042.85,-822.47 \n+00014f50: 3130 3433 2e31 362c 2d38 3333 2e30 3620 1043.16,-833.06 \n+00014f60: 3130 3439 2e35 322c 2d38 3234 2e35 3920 1049.52,-824.59 \n+00014f70: 3130 3432 2e38 352c 2d38 3232 2e34 3722 1042.85,-822.47\"\n+00014f80: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....mo\n+00014ff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015000: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n+00015010: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015020: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib....<\n+00015160: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015170: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+00015180: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00015190: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+000151a0: 0a3c 6720 6964 3d22 6564 6765 3132 3422 ..<\n+000151c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000151d0: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n+000151e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000151f0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec.\n+000152b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n+00015390: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000153a0: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+000153b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000153c0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+000153d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00015550: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n+00015560: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015570: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes....<\n+00015690: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000156a0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+000156b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000156c0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000156d0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564 ty -->..modu\n+00015700: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n+00015710: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n+00015720: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00015730: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n+00015740: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00015750: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00015760: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00015770: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00015780: 4d31 3435 342e 3731 2c2d 3233 312e 3438 M1454.71,-231.48\n+00015790: 4331 3435 392e 3534 2c2d 3236 372e 3835 C1459.54,-267.85\n+000157a0: 2031 3437 332c 2d33 3737 2e32 3820 3134 1473,-377.28 14\n+000157b0: 3733 2c2d 3436 382e 3533 2031 3437 332c 73,-468.53 1473,\n+000157c0: 2d35 3333 2e34 2031 3437 332c 2d35 3333 -533.4 1473,-533\n+000157d0: 2e34 2031 3437 332c 2d35 3333 2e34 2031 .4 1473,-533.4 1\n+000157e0: 3437 332c 2d36 3332 2e37 3620 3133 3433 473,-632.76 1343\n+000157f0: 2e34 372c 2d36 3836 2e36 3220 3132 3733 .47,-686.62 1273\n+00015800: 2e39 342c 2d37 3038 2e33 3722 2f3e 0a3c .94,-708.37\"/>.<\n+00015810: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00015820: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00015830: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00015840: 3132 3732 2e36 392c 2d37 3035 2e30 3920 1272.69,-705.09 \n+00015850: 3132 3634 2e31 342c 2d37 3131 2e33 3420 1264.14,-711.34 \n+00015860: 3132 3734 2e37 332c 2d37 3131 2e37 3920 1274.73,-711.79 \n+00015870: 3132 3732 2e36 392c 2d37 3035 2e30 3922 1272.69,-705.09\"\n+00015880: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00015890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000158a0: 656e 6572 6779 616e 616c 7973 6973 202d energyanalysis -\n+000158b0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3234 ->.<g id=\"node24\n+000158c0: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+000158d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000158e0: 635f 6772 6f6d 6163 735f 656e 6572 6779 c_gromacs_energy\n+000158f0: 616e 616c 7973 6973 3c2f 7469 746c 653e analysis\n+00015900: 0a3c 6720 6964 3d22 615f 6e6f 6465 3234 ...e\n+00015a20: 6e65 7267 7961 6e61 6c79 7369 733c 2f74 nergyanalysis...<\n+00015a40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00015ac0: 655f 7372 635f 6772 6f6d 6163 735f 656e e_src_gromacs_en\n+00015ad0: 6572 6779 616e 616c 7973 6973 2623 3435 ergyanalysis-\n+00015ae0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015af0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+00015b00: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine......mod\n+00015c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015c80: 656e 6572 6779 616e 616c 7973 6973 2623 energyanalysis&#\n+00015c90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015ca0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00015cb0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+00015db0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015dc0: 726f 6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n+00015dd0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00015de0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015df0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->..module_src_grom\n+00015e30: 6163 735f 656e 6572 6779 616e 616c 7973 acs_energyanalys\n+00015e40: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+00015e50: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00015e60: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......module_src_gro\n+00016000: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n+00016010: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+00016020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00016030: 7461 7469 7374 6963 733c 2f74 6974 6c65 tatistics......\n+000161a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000161b0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+000161c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000161d0: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+000161e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000161f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00016200: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+00016210: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00016220: 643d 224d 3936 382e 3135 2c2d 3438 302e d=\"M968.15,-480.\n+00016230: 3938 4339 3432 2e33 2c2d 3439 382e 3738 98C942.3,-498.78\n+00016240: 2038 3930 2e39 342c 2d35 3337 2e34 3120 890.94,-537.41 \n+00016250: 3836 312c 2d35 3831 2e38 3320 3832 322e 861,-581.83 822.\n+00016260: 3539 2c2d 3633 382e 3833 2038 3234 2e34 59,-638.83 824.4\n+00016270: 392c 2d36 3636 2e36 3820 3833 362c 2d37 9,-666.68 836,-7\n+00016280: 3334 2e34 3420 3834 352e 3934 2c2d 3739 34.44 845.94,-79\n+00016290: 322e 3936 2038 3335 2e37 372c 2d38 3231 2.96 835.77,-821\n+000162a0: 2e37 3520 3838 312c 2d38 3630 2e31 3820 .75 881,-860.18 \n+000162b0: 3839 362e 3034 2c2d 3837 322e 3936 2031 896.04,-872.96 1\n+000162c0: 3031 302e 3237 2c2d 3839 312e 3034 2031 010.27,-891.04 1\n+000162d0: 3038 302e 3332 2c2d 3930 312e 3122 2f3e 080.32,-901.1\"/>\n+000162e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000162f0: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+00016300: 6c61 636b 2220 706f 696e 7473 3d22 3130 lack\" points=\"10\n+00016310: 3739 2e39 332c 2d39 3034 2e35 3820 3130 79.93,-904.58 10\n+00016320: 3930 2e33 322c 2d39 3032 2e35 3320 3130 90.32,-902.53 10\n+00016330: 3830 2e39 312c 2d38 3937 2e36 3520 3130 80.91,-897.65 10\n+00016340: 3739 2e39 332c 2d39 3034 2e35 3822 2f3e 79.93,-904.58\"/>\n+00016350: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00016360: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00016370: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00016380: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00016390: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n+000163a0: 2265 6467 6531 3432 2220 636c 6173 733d \"edge142\" class=\n+000163b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000163c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000163d0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000163e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000163f0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+00016400: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00016410: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00016420: 6662 6622 2064 3d22 4d39 3830 2e39 362c fbf\" d=\"M980.96,\n+00016430: 2d34 3832 2e39 3143 3937 362e 3432 2c2d -482.91C976.42,-\n+00016440: 3439 392e 3133 2039 3636 2e34 382c 2d35 499.13 966.48,-5\n+00016450: 3237 2e36 3420 3934 392c 2d35 3435 2e38 27.64 949,-545.8\n+00016460: 3320 3932 342e 3736 2c2d 3537 312e 3036 3 924.76,-571.06\n+00016470: 2038 3937 2e32 322c 2d35 3531 2e39 3720 897.22,-551.97 \n+00016480: 3837 392c 2d35 3831 2e38 3320 3832 392e 879,-581.83 829.\n+00016490: 3131 2c2d 3636 332e 3538 2038 3231 2e39 11,-663.58 821.9\n+000164a0: 322c 2d37 3230 2e34 3120 3837 392c 2d37 2,-720.41 879,-7\n+000164b0: 3937 2e33 3120 3931 312e 3933 2c2d 3834 97.31 911.93,-84\n+000164c0: 312e 3638 2039 3435 2e31 322c 2d38 3137 1.68 945.12,-817\n+000164d0: 2e32 3920 3939 382c 2d38 3333 2e33 3120 .29 998,-833.31 \n+000164e0: 3130 3030 2e39 372c 2d38 3334 2e32 3120 1000.97,-834.21 \n+000164f0: 3130 3034 2e30 352c 2d38 3335 2e31 3420 1004.05,-835.14 \n+00016500: 3130 3037 2e31 342c 2d38 3336 2e30 3822 1007.14,-836.08\"\n+00016510: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00016520: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00016530: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00016540: 7473 3d22 3130 3036 2e32 392c 2d38 3339 ts=\"1006.29,-839\n+00016550: 2e34 3820 3130 3136 2e38 372c 2d38 3339 .48 1016.87,-839\n+00016560: 2e30 3320 3130 3038 2e33 322c 2d38 3332 .03 1008.32,-832\n+00016570: 2e37 3820 3130 3036 2e32 392c 2d38 3339 .78 1006.29,-839\n+00016580: 2e34 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .48\"/>.</g>.<!--\n+00016590: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000165a0: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+000165b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000165c0: 6d61 6373 5f67 7075 5f75 7469 6c73 202d macs_gpu_utils -\n+000165d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n+000165e0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+000165f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00016600: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00016610: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00016620: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00016630: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils...<\n+00016710: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+00016790: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+000167a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000167b0: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n+000167c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modul\n+00016910: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00016920: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00016930: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00016940: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan..\n+00016a00: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....m\n+00016ad0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016ae0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00016af0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016b00: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c cs_imd.<\n+00016b10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016b20: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00016b30: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00016b40: 6179 3d22 352c 3222 2064 3d22 4d39 3739 ay=\"5,2\" d=\"M979\n+00016b50: 2e33 352c 2d34 3536 2e31 3343 3937 392e .35,-456.13C979.\n+00016b60: 3032 2c2d 3434 302e 3838 2039 3834 2e30 02,-440.88 984.0\n+00016b70: 342c 2d34 3134 2e33 3920 3939 332c 2d33 4,-414.39 993,-3\n+00016b80: 3933 2e32 3220 3130 3234 2e39 382c 2d33 93.22 1024.98,-3\n+00016b90: 3137 2e37 3220 3130 3531 2e35 312c 2d32 17.72 1051.51,-2\n+00016ba0: 3937 2031 3132 382c 2d32 3637 2e34 3820 97 1128,-267.48 \n+00016bb0: 3132 3236 2e36 332c 2d32 3239 2e34 3120 1226.63,-229.41 \n+00016bc0: 3133 3533 2e34 332c 2d32 3231 2e31 3820 1353.43,-221.18 \n+00016bd0: 3134 3135 2e35 392c 2d32 3139 2e34 3622 1415.59,-219.46\"\n+00016be0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />....\n+00016ca0: 3c67 2069 643d 2265 6467 6531 3334 2220 .module_src_\n+00016cd0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00016ce0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00016cf0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n+00016d00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n+00016e80: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00016e90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00016ea0: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald...<\n+00016fe0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+00017030: 6720 6964 3d22 6564 6765 3134 3622 2063 g id=\"edge146\" c\n+00017040: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00017060: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00017070: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00017080: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00017090: 6f72 6365 733c 2f74 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5f73 7263 5f67 >module_src_g\n+00017440: 726f 6d61 6373 5f74 6162 6c65 733c 2f74 romacs_tables......module\n+000175e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+000175f0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00017600: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00017610: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm......modul\n+00017760: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00017770: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00017780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+00017790: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom....\n+00017920: 0a3c 6720 6964 3d22 6564 6765 3133 3522 ..<\n+00017940: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00017950: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00017960: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00017970: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00017980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00017ab0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+00017b20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017b30: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00017b40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017b50: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n+00017b60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00017b70: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00017b80: 6564 2220 643d 224d 3935 352e 3337 2c2d ed\" d=\"M955.37,-\n+00017b90: 3436 392e 3237 4339 3038 2e33 332c 2d34 469.27C908.33,-4\n+00017ba0: 3639 2e31 3320 3831 332e 3531 2c2d 3436 69.13 813.51,-46\n+00017bb0: 332e 3031 2037 3439 2c2d 3432 302e 3039 3.01 749,-420.09\n+00017bc0: 2036 3333 2e35 342c 2d33 3433 2e32 3720 633.54,-343.27 \n+00017bd0: 3532 352e 3438 2c2d 3235 332e 3220 3630 525.48,-253.2 60\n+00017be0: 382c 2d31 3431 2e37 3420 3636 342e 3936 8,-141.74 664.96\n+00017bf0: 2c2d 3634 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_awh......modu\n+00018640: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00018650: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00018660: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+00018670: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n+000187e0: 0a3c 6720 6964 3d22 6564 6765 3136 3022 ..<\n+00018800: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00018810: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+00018820: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00018830: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00018840: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+000189b0: 0a3c 6720 6964 3d22 6564 6765 3136 3322 ..<\n+000189d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000189e0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+000189f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00018a00: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00018a10: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o.....<\n+00018d50: 6720 6964 3d22 6564 6765 3136 3522 2063 g id=\"edge165\" c\n+00018d60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00018d80: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00018d90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018da0: 5f67 726f 6d61 6373 5f69 6d64 3c2f 7469 _gromacs_imd......module_src_grom\n+00018f50: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00018f60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018f70: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib......modu\n+00019100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00019110: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+00019120: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019130: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n+00019140: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00019150: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00019160: 224d 3136 3832 2e35 352c 2d33 3339 2e35 \"M1682.55,-339.5\n+00019170: 3543 3137 3337 2e32 322c 2d33 3334 2e31 5C1737.22,-334.1\n+00019180: 3820 3138 3436 2e30 332c 2d33 3231 2e32 8 1846.03,-321.2\n+00019190: 3420 3139 3335 2c2d 3239 342e 3335 2031 4 1935,-294.35 1\n+000191a0: 3939 392e 392c 2d32 3734 2e37 3420 3230 999.9,-274.74 20\n+000191b0: 3135 2e38 342c 2d32 3636 2e33 3420 3230 15.84,-266.34 20\n+000191c0: 3734 2c2d 3233 312e 3438 2032 3130 332e 74,-231.48 2103.\n+000191d0: 362c 2d32 3133 2e37 3420 3231 3334 2e36 6,-213.74 2134.6\n+000191e0: 392c 2d31 3838 2e35 3620 3231 3535 2e39 9,-188.56 2155.9\n+000191f0: 352c 2d31 3732 2e33 222f 3e0a 3c70 6f6c 5,-172.3\"/>.....mo\n+000192e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000192f0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+00019300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019310: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00019320: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+000194b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000194c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+000194d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000194e0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+000194f0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m.....\n+00019670: 3c67 2069 643d 2265 6467 6531 3536 2220 .module_src_\n+000196a0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+000196b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000196c0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+000196d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+000198b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+000198c0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+000198d0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+000198e0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n+000198f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00019900: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00019910: 2220 643d 224d 3136 3634 2e39 382c 2d33 \" d=\"M1664.98,-3\n+00019920: 3331 2e38 3543 3137 3337 2e32 382c 2d32 31.85C1737.28,-2\n+00019930: 3835 2e32 3920 3230 3139 2e38 312c 2d31 85.29 2019.81,-1\n+00019940: 3033 2e33 3320 3231 3037 2e31 342c 2d34 03.33 2107.14,-4\n+00019950: 372e 3039 222f 3e0a 3c70 6f6c 7967 6f6e 7.09\"/>.....module_\n+00019c00: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00019c10: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00019c20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00019c30: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n+00019c40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00019c50: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00019c60: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00019c70: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00019c80: 4d31 3634 352e 3738 2c2d 3335 372e 3443 M1645.78,-357.4C\n+00019c90: 3136 3336 2e33 382c 2d34 3036 2e37 3320 1636.38,-406.73 \n+00019ca0: 3135 3935 2e31 2c2d 3538 3820 3134 3833 1595.1,-588 1483\n+00019cb0: 2c2d 3637 312e 3537 2031 3431 302e 3539 ,-671.57 1410.59\n+00019cc0: 2c2d 3732 352e 3536 2031 3337 312e 342c ,-725.56 1371.4,\n+00019cd0: 2d36 3839 2e30 3620 3132 3833 2c2d 3730 -689.06 1283,-70\n+00019ce0: 372e 3537 2031 3238 302e 3337 2c2d 3730 7.57 1280.37,-70\n+00019cf0: 382e 3132 2031 3237 372e 3636 2c2d 3730 8.12 1277.66,-70\n+00019d00: 382e 3731 2031 3237 342e 3933 2c2d 3730 8.71 1274.93,-70\n+00019d10: 392e 3331 222f 3e0a 3c70 6f6c 7967 6f6e 9.31\"/>.<polygon\n+00019d20: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+00019d30: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00019d40: 2070 6f69 6e74 733d 2231 3237 342e 3033 points=\"1274.03\n+00019d50: 2c2d 3730 352e 3933 2031 3236 352e 3036 ,-705.93 1265.06\n+00019d60: 2c2d 3731 312e 3537 2031 3237 352e 3539 ,-711.57 1275.59\n+00019d70: 2c2d 3731 322e 3735 2031 3237 342e 3033 ,-712.75 1274.03\n+00019d80: 2c2d 3730 352e 3933 222f 3e0a 3c2f 673e ,-705.93\"/>.</g>\n+00019d90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00019da0: 5f67 726f 6d61 6373 5f6d 696d 6963 2623 _gromacs_mimic&#\n+00019db0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00019dc0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+00019dd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00019de0: 3636 2220 636c 6173 733d 2265 6467 6522 66\" class=\"edge\"\n+00019df0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00019e00: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+00019e10: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00019e20: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00019e30: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib....\n+00019f80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+0001a000: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a010: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n+0001a020: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n+0001a030: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a040: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+0001a050: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001a060: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001a070: 3832 6663 6322 2064 3d22 4d31 3138 342e 82fcc\" d=\"M1184.\n+0001a080: 3435 2c2d 3935 392e 3137 4331 3137 352e 45,-959.17C1175.\n+0001a090: 3937 2c2d 3935 302e 3833 2031 3136 342e 97,-950.83 1164.\n+0001a0a0: 3538 2c2d 3933 392e 3635 2031 3135 342e 58,-939.65 1154.\n+0001a0b0: 3837 2c2d 3933 302e 3132 222f 3e0a 3c70 87,-930.12\"/>.<p\n+0001a0c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+0001a0d0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+0001a0e0: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+0001a0f0: 3135 372e 3132 2c2d 3932 372e 3432 2031 157.12,-927.42 1\n+0001a100: 3134 372e 3533 2c2d 3932 322e 3932 2031 147.53,-922.92 1\n+0001a110: 3135 322e 3231 2c2d 3933 322e 3432 2031 152.21,-932.42 1\n+0001a120: 3135 372e 3132 2c2d 3932 372e 3432 222f 157.12,-927.42\"/\n+0001a130: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001a140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0001a150: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n+0001a160: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n+0001a170: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001a180: 6674 202d 2d3e 0a3c 6720 6964 3d22 6564 ft -->.<g id=\"ed\n+0001a190: 6765 3136 3922 2063 6c61 7373 3d22 6564 ge169\" class=\"ed\n+0001a1a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001a1b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0001a1c0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n+0001a1d0: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n+0001a1e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001a1f0: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft......module_src_grom\n+0001a400: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+0001a410: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n+0001a420: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001a430: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio...\n+0001a550: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0001a8f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0001a900: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0001a910: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001a920: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib..\n+0001a9f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+0001aae0: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+0001aaf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001ab00: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec..<\n+0001abf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001ac00: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0001ac10: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0001ac20: 3136 3932 2e39 382c 2d33 3336 2e31 3620 1692.98,-336.16 \n+0001ac30: 3136 3833 2e33 312c 2d33 3430 2e34 3920 1683.31,-340.49 \n+0001ac40: 3136 3933 2e35 372c 2d33 3433 2e31 3420 1693.57,-343.14 \n+0001ac50: 3136 3932 2e39 382c 2d33 3336 2e31 3622 1692.98,-336.16\"\n+0001ac60: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....\n+0001acd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ace0: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+0001acf0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001ad00: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65 acs_nbnxm</title\n+0001ad10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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3532 2e35 342c 2d35 3235 2e30 3420 3138 52.54,-525.04 18\n+0001ae10: 3633 2e31 322c 2d35 3235 2e36 3920 3138 63.12,-525.69 18\n+0001ae20: 3631 2e32 322c 2d35 3138 2e39 3522 2f3e 61.22,-518.95\"/>\n+0001ae30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001ae40: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0001ae50: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+0001ae60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001ae70: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d mxlib -->.<g id=\n+0001ae80: 2265 6467 6531 3734 2220 636c 6173 733d \"edge174\" class=\n+0001ae90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001aea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001aeb0: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+0001aec0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001aed0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+0001aee0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001aef0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001af00: 6662 6622 2064 3d22 4d32 3135 332e 3334 fbf\" d=\"M2153.34\n+0001af10: 2c2d 3135 302e 3643 3231 3334 2e38 342c ,-150.6C2134.84,\n+0001af20: 2d31 3437 2e37 3820 3231 3130 2e34 352c -147.78 2110.45,\n+0001af30: 2d31 3433 2e39 3820 3230 3839 2c2d 3134 -143.98 2089,-14\n+0001af40: 312e 3734 2031 3739 362e 3436 2c2d 3131 1.74 1796.46,-11\n+0001af50: 312e 3232 2031 3434 322e 3833 2c2d 3938 1.22 1442.83,-98\n+0001af60: 2e33 3920 3133 3232 2e39 342c 2d39 342e .39 1322.94,-94.\n+0001af70: 3539 222f 3e0a 3c70 6f6c 7967 6f6e 2066 59\"/>.<polygon f\n+0001af80: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0001af90: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0001afa0: 6f69 6e74 733d 2231 3332 322e 3833 2c2d oints=\"1322.83,-\n+0001afb0: 3931 2e30 3920 3133 3132 2e37 332c 2d39 91.09 1312.73,-9\n+0001afc0: 342e 3238 2031 3332 322e 3632 2c2d 3938 4.28 1322.62,-98\n+0001afd0: 2e30 3920 3133 3232 2e38 332c 2d39 312e .09 1322.83,-91.\n+0001afe0: 3039 222f 3e0a 3c2f 673e 0a3c 212d 2d20 09\"/>.</g>.<!-- \n+0001aff0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b000: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+0001b010: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001b020: 6163 735f 6861 7264 7761 7265 202d 2d3e acs_hardware -->\n+0001b030: 0a3c 6720 6964 3d22 6564 6765 3137 3522 .<g id=\"edge175\"\n+0001b040: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001b050: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001b060: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n+0001b070: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b080: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+0001b090: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re.....<\n+0001b1b0: 6720 6964 3d22 6564 6765 3137 3122 2063 g id=\"edge171\" c\n+0001b1c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001b1e0: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001b1f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b200: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0001b210: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....<\n+0001b530: 6720 6964 3d22 6564 6765 3138 3422 2063 g id=\"edge184\" c\n+0001b540: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001b560: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001b570: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001b580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b590: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils...<\n+0001b6a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+0001b6f0: 6720 6964 3d22 6564 6765 3138 3022 2063 g id=\"edge180\" c\n+0001b700: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001b720: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001b730: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001b740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b750: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib....<\n+0001b8c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001b8d0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001b8e0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001b8f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b900: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964 domdec -->..\n+0001b930: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b940: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+0001b950: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001b960: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001b970: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec...\n+0001baa0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n+0001bb20: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+0001bb30: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0001bb40: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+0001bb50: 626c 6573 3c2f 7469 746c 653e 0a3c 7061 bles...<\n+0001bc70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+0001bcc0: 6720 6964 3d22 6564 6765 3138 3722 2063 g id=\"edge187\" c\n+0001bcd0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001bcf0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001bd00: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001bd10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001bd20: 6e62 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 nbnxm......mo\n+0001bed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001bee0: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+0001bef0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001bf00: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0001bf10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n+0001c070: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+0001c080: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+0001c090: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001c0a0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+0001c0b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001c0c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001c0d0: 3d22 7265 6422 2064 3d22 4d31 3734 332e =\"red\" d=\"M1743.\n+0001c0e0: 3733 2c2d 3134 322e 3843 3137 3734 2e33 73,-142.8C1774.3\n+0001c0f0: 392c 2d31 3236 2e34 3220 3138 3334 2e30 9,-126.42 1834.0\n+0001c100: 352c 2d39 362e 3235 2031 3838 382c 2d37 5,-96.25 1888,-7\n+0001c110: 382e 3837 2031 3935 352e 3433 2c2d 3537 8.87 1955.43,-57\n+0001c120: 2e31 3520 3230 3336 2e35 382c 2d34 332e .15 2036.58,-43.\n+0001c130: 3432 2032 3038 362e 3437 2c2d 3336 2e33 42 2086.47,-36.3\n+0001c140: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+0001c150: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d ll=\"red\" stroke=\n+0001c160: 2272 6564 2220 706f 696e 7473 3d22 3230 \"red\" points=\"20\n+0001c170: 3837 2e32 312c 2d33 392e 3737 2032 3039 87.21,-39.77 209\n+0001c180: 362e 3633 2c2d 3334 2e39 3320 3230 3836 6.63,-34.93 2086\n+0001c190: 2e32 342c 2d33 322e 3834 2032 3038 372e .24,-32.84 2087.\n+0001c1a0: 3231 2c2d 3339 2e37 3722 2f3e 0a3c 2f67 21,-39.77\"/>.</g\n+0001c1b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001c1c0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+0001c1d0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+0001c1e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c1f0: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n+0001c200: 6720 6964 3d22 6564 6765 3138 3122 2063 g id=\"edge181\" c\n+0001c210: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001c220: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001c230: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001c240: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001c250: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c260: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0001c270: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n+0001c420: 6720 6964 3d22 6564 6765 3138 3322 2063 g id=\"edge183\" c\n+0001c430: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001c450: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001c460: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0001c470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c480: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility...\n+0001c640: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0001c690: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n+0001c6a0: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c65 ology..top\n+0001c760: 6f6c 6f67 793c 2f74 6578 743e 0a3c 2f67 ology....m\n+0001c7e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c7f0: 735f 746f 706f 6c6f 6779 2623 3435 3b26 s_topology-&\n+0001c800: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c810: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0001c820: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001c830: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001c840: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001c850: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001c860: 643d 224d 3138 3433 2e33 332c 2d37 3132 d=\"M1843.33,-712\n+0001c870: 2e35 3443 3137 3939 2e39 362c 2d37 3031 .54C1799.96,-701\n+0001c880: 2e36 3320 3137 3139 2e31 392c 2d36 3831 .63 1719.19,-681\n+0001c890: 2e33 3220 3136 3730 2e37 342c 2d36 3639 .32 1670.74,-669\n+0001c8a0: 2e31 3322 2f3e 0a3c 706f 6c79 676f 6e20 .13\"/>.<polygon \n+0001c8b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0001c8c0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001c8d0: 706f 696e 7473 3d22 3136 3731 2e34 372c points=\"1671.47,\n+0001c8e0: 2d36 3635 2e37 3120 3136 3630 2e39 322c -665.71 1660.92,\n+0001c8f0: 2d36 3636 2e36 3620 3136 3639 2e37 362c -666.66 1669.76,\n+0001c900: 2d36 3732 2e34 3920 3136 3731 2e34 372c -672.49 1671.47,\n+0001c910: 2d36 3635 2e37 3122 2f3e 0a3c 2f67 3e0a -665.71\"/>.</g>.\n+0001c920: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0001c930: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+0001c940: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001c950: 7372 635f 7465 7374 7574 696c 7320 2d2d src_testutils --\n+0001c960: 3e0a 3c67 2069 643d 2265 6467 6531 3839 >.<g id=\"edge189\n+0001c970: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001c980: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001c990: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+0001c9a0: 6779 2623 3435 3b26 6774 3b6d 6f64 756c gy->modul\n+0001c9b0: 655f 7372 635f 7465 7374 7574 696c 733c e_src_testutils<\n+0001c9c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001c9d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001c9e0: 3d22 7265 6422 2064 3d22 4d31 3930 322e =\"red\" d=\"M1902.\n+0001c9f0: 3435 2c2d 3732 392e 3437 4332 3031 372e 45,-729.47C2017.\n+0001ca00: 392c 2d37 3538 2e37 3420 3234 3339 2e36 9,-758.74 2439.6\n+0001ca10: 312c 2d38 3635 2e36 3720 3235 3730 2e31 1,-865.67 2570.1\n+0001ca20: 392c 2d38 3938 2e37 3822 2f3e 0a3c 706f 9,-898.78\"/>.<po\n+0001ca30: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+0001ca40: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+0001ca50: 696e 7473 3d22 3235 3639 2e35 392c 2d39 ints=\"2569.59,-9\n+0001ca60: 3032 2e32 3420 3235 3830 2e31 352c 2d39 02.24 2580.15,-9\n+0001ca70: 3031 2e33 2032 3537 312e 3331 2c2d 3839 01.3 2571.31,-89\n+0001ca80: 352e 3435 2032 3536 392e 3539 2c2d 3930 5.45 2569.59,-90\n+0001ca90: 322e 3234 222f 3e0a 3c2f 673e 0a3c 212d 2.24\"/>.</g>.<!-\n+0001caa0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001cab0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0001cac0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001cad0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+0001cae0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n+0001caf0: 6531 3930 2220 636c 6173 733d 2265 6467 e190\" class=\"edg\n+0001cb00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001cb10: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+0001cb20: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+0001cb30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0001cb40: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n+0001cb50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001cb60: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+0001cb70: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+0001cb80: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+0001cb90: 3133 312e 3834 2c2d 3131 3437 2e36 3743 131.84,-1147.67C\n+0001cba0: 3131 3139 2e33 352c 2d31 3131 352e 3835 1119.35,-1115.85\n+0001cbb0: 2031 3038 392e 3832 2c2d 3130 3239 2e30 1089.82,-1029.0\n+0001cbc0: 3220 3131 3038 2c2d 3935 392e 3035 2031 2 1108,-959.05 1\n+0001cbd0: 3131 302e 352c 2d39 3439 2e34 3420 3131 110.5,-949.44 11\n+0001cbe0: 3135 2e33 372c 2d39 3339 2e37 3120 3131 15.37,-939.71 11\n+0001cbf0: 3230 2e32 392c 2d39 3331 2e35 3122 2f3e 20.29,-931.51\"/>\n+0001cc00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001cc10: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+0001cc20: 6c61 636b 2220 706f 696e 7473 3d22 3131 lack\" points=\"11\n+0001cc30: 3233 2e33 2c2d 3933 332e 3331 2031 3132 23.3,-933.31 112\n+0001cc40: 352e 3735 2c2d 3932 3320 3131 3137 2e34 5.75,-923 1117.4\n+0001cc50: 312c 2d39 3239 2e35 3320 3131 3233 2e33 1,-929.53 1123.3\n+0001cc60: 2c2d 3933 332e 3331 222f 3e0a 3c2f 673e ,-933.31\"/>.</g>\n+0001cc70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001cc80: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+0001cc90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001cca0: 635f 6772 6f6d 6163 735f 6666 7420 2d2d c_gromacs_fft --\n+0001ccb0: 3e0a 3c67 2069 643d 2265 6467 6531 3933 >.<g id=\"edge193\n+0001ccc0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001ccd0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001cce0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n+0001ccf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001cd00: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f rc_gromacs_fft</\n+0001cd10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001cd20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001cd30: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n+0001cd40: 3634 2e31 332c 2d31 3135 392e 3733 4331 64.13,-1159.73C1\n+0001cd50: 3330 362e 3439 2c2d 3131 3537 2e36 3920 306.49,-1157.69 \n+0001cd60: 3139 3638 2e33 312c 2d31 3134 362e 3436 1968.31,-1146.46\n+0001cd70: 2032 3137 302c 2d31 3131 312e 3636 2032 2170,-1111.66 2\n+0001cd80: 3237 332e 3039 2c2d 3130 3933 2e38 3720 273.09,-1093.87 \n+0001cd90: 3233 3933 2c2d 3131 3430 2e39 3720 3233 2393,-1140.97 23\n+0001cda0: 3933 2c2d 3130 3336 2e33 3620 3233 3933 93,-1036.36 2393\n+0001cdb0: 2c2d 3130 3336 2e33 3620 3233 3933 2c2d ,-1036.36 2393,-\n+0001cdc0: 3130 3336 2e33 3620 3233 3933 2c2d 3834 1036.36 2393,-84\n+0001cdd0: 352e 3735 2032 3339 332c 2d37 3036 2e36 5.75 2393,-706.6\n+0001cde0: 3420 3234 3133 2c2d 3637 322e 3520 3234 4 2413,-672.5 24\n+0001cdf0: 3133 2c2d 3533 332e 3420 3234 3133 2c2d 13,-533.4 2413,-\n+0001ce00: 3533 332e 3420 3234 3133 2c2d 3533 332e 533.4 2413,-533.\n+0001ce10: 3420 3234 3133 2c2d 3231 372e 3035 2032 4 2413,-217.05 2\n+0001ce20: 3431 332c 2d31 3733 2e33 3820 3233 3737 413,-173.38 2377\n+0001ce30: 2e34 332c 2d31 3332 2e39 3320 3233 3533 .43,-132.93 2353\n+0001ce40: 2e37 332c 2d31 3130 2e38 3222 2f3e 0a3c .73,-110.82\"/>.<\n+0001ce50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001ce60: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001ce70: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001ce80: 3233 3535 2e39 382c 2d31 3038 2e31 3420 2355.98,-108.14 \n+0001ce90: 3233 3436 2e32 312c 2d31 3034 2e30 3520 2346.21,-104.05 \n+0001cea0: 3233 3531 2e33 2c2d 3131 332e 3334 2032 2351.3,-113.34 2\n+0001ceb0: 3335 352e 3938 2c2d 3130 382e 3134 222f 355.98,-108.14\"/\n+0001cec0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001ced0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001cee0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+0001cef0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001cf00: 6d64 7275 6e20 2d2d 3e0a 3c67 2069 643d mdrun -->.<g id=\n+0001cf10: 2265 6467 6531 3937 2220 636c 6173 733d \"edge197\" class=\n+0001cf20: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001cf30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001cf40: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+0001cf50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001cf60: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n+0001cf70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0001d120: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0001d190: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+0001d1a0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+0001d1b0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0001d1c0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......\n+0001d370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001d380: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n+0001d390: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001d3a0: 6163 735f 7472 616a 6563 746f 7279 3c2f acs_trajectory</\n+0001d3b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001d3c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001d3d0: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n+0001d3e0: 3130 2e30 342c 2d31 3135 392e 3539 4339 10.04,-1159.59C9\n+0001d3f0: 3730 2e35 352c 2d31 3135 362e 3831 2033 70.55,-1156.81 3\n+0001d400: 3333 2e39 392c 2d31 3134 322e 3536 2032 33.99,-1142.56 2\n+0001d410: 3532 2c2d 3131 3131 2e36 3620 3230 312e 52,-1111.66 201.\n+0001d420: 3538 2c2d 3130 3932 2e36 3620 3135 372c 58,-1092.66 157,\n+0001d430: 2d31 3039 302e 3233 2031 3537 2c2d 3130 -1090.23 157,-10\n+0001d440: 3336 2e33 3620 3135 372c 2d31 3033 362e 36.36 157,-1036.\n+0001d450: 3336 2031 3537 2c2d 3130 3336 2e33 3620 36 157,-1036.36 \n+0001d460: 3135 372c 2d35 3331 2e34 2031 3537 2c2d 157,-531.4 157,-\n+0001d470: 3437 302e 3735 2032 3239 2e38 332c 2d34 470.75 229.83,-4\n+0001d480: 3335 2e36 3120 3237 372e 3231 2c2d 3431 35.61 277.21,-41\n+0001d490: 392e 3137 222f 3e0a 3c70 6f6c 7967 6f6e 9.17\"/>.<polygon\n+0001d4a0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001d4b0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001d4c0: 2070 6f69 6e74 733d 2232 3738 2e35 322c points=\"278.52,\n+0001d4d0: 2d34 3232 2e34 3220 3238 362e 3931 2c2d -422.42 286.91,-\n+0001d4e0: 3431 352e 3934 2032 3736 2e33 312c 2d34 415.94 276.31,-4\n+0001d4f0: 3135 2e37 3820 3237 382e 3532 2c2d 3432 15.78 278.52,-42\n+0001d500: 322e 3432 222f 3e0a 3c2f 673e 0a3c 212d 2.42\"/>.</g>.<!-\n+0001d510: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001d520: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0001d530: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001d540: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0001d550: 6573 7320 2d2d 3e0a 3c67 2069 643d 2265 ess -->.<g id=\"e\n+0001d560: 6467 6531 3936 2220 636c 6173 733d 2265 dge196\" class=\"e\n+0001d570: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001d580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d590: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+0001d5a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d5b0: 5f67 6d78 7072 6570 726f 6365 7373 3c2f _gmxpreprocess</\n+0001d5c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001d5d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001d5e0: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n+0001d5f0: 3631 2e33 362c 2d31 3135 352e 3232 4331 61.36,-1155.22C1\n+0001d600: 3231 302e 3535 2c2d 3131 3435 2e33 3720 210.55,-1145.37 \n+0001d610: 3133 3232 2e36 352c 2d31 3132 322e 3932 1322.65,-1122.92\n+0001d620: 2031 3338 392e 3032 2c2d 3131 3039 2e36 1389.02,-1109.6\n+0001d630: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0001d640: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001d650: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0001d660: 696e 7473 3d22 3133 3839 2e37 342c 2d31 ints=\"1389.74,-1\n+0001d670: 3131 332e 3036 2031 3339 382e 3836 2c2d 113.06 1398.86,-\n+0001d680: 3131 3037 2e36 3620 3133 3838 2e33 372c 1107.66 1388.37,\n+0001d690: 2d31 3130 362e 3220 3133 3839 2e37 342c -1106.2 1389.74,\n+0001d6a0: 2d31 3131 332e 3036 222f 3e0a 3c2f 673e -1113.06\"/>.</g>\n+0001d6b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001d6c0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+0001d6d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001d6e0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+0001d6f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001d700: 3934 2220 636c 6173 733d 2265 6467 6522 94\" class=\"edge\"\n+0001d710: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001d720: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+0001d730: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001d740: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+0001d750: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib...\n+0001d8a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0001d910: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+0001d920: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001d930: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0001d940: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld...\n+0001db10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+0001db60: 3c67 2069 643d 2265 6467 6531 3939 2220 .module_src_\n+0001db90: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+0001dba0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001dbb0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+0001dbc0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+0001dbd0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001dbe0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001dbf0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001dc00: 6179 3d22 352c 3222 2064 3d22 4d31 3136 ay=\"5,2\" d=\"M116\n+0001dc10: 332e 3335 2c2d 3131 3537 2e37 3343 3132 3.35,-1157.73C12\n+0001dc20: 3339 2e39 322c 2d31 3135 302e 3833 2031 39.92,-1150.83 1\n+0001dc30: 3436 382e 3939 2c2d 3131 3330 2e30 3820 468.99,-1130.08 \n+0001dc40: 3136 3539 2c2d 3131 3131 2e36 3620 3139 1659,-1111.66 19\n+0001dc50: 3535 2e33 352c 2d31 3038 322e 3934 2032 55.35,-1082.94 2\n+0001dc60: 3234 302e 3435 2c2d 3132 3733 2e36 3520 240.45,-1273.65 \n+0001dc70: 3233 3137 2c2d 3938 352e 3932 2032 3333 2317,-985.92 233\n+0001dc80: 312e 3639 2c2d 3933 302e 3639 2032 3337 1.69,-930.69 237\n+0001dc90: 322e 3739 2c2d 3936 352e 3134 2032 3239 2.79,-965.14 229\n+0001dca0: 372c 2d37 3730 2e34 3420 3232 3532 2e38 7,-770.44 2252.8\n+0001dcb0: 2c2d 3635 362e 3920 3230 3537 2e30 352c ,-656.9 2057.05,\n+0001dcc0: 2d34 3135 2e36 2031 3937 302c 2d33 3330 -415.6 1970,-330\n+0001dcd0: 2e33 3520 3139 3030 2e30 392c 2d32 3631 .35 1900.09,-261\n+0001dce0: 2e38 3820 3138 3030 2e39 372c 2d32 3030 .88 1800.97,-200\n+0001dcf0: 2e37 3420 3137 3532 2e32 392c 2d31 3732 .74 1752.29,-172\n+0001dd00: 2e35 3922 2f3e 0a3c 706f 6c79 676f 6e20 .59\"/>.....\n+0001dde0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001ddf0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n+0001de00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001de10: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+0001de20: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m..\n+0001df40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ..\n+0001dfb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+0001e020: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+0001e030: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001e040: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001e050: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......modu\n+0001e250: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001e260: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+0001e270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e280: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0001e290: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n+0001e3c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+0001e410: 3c67 2069 643d 2265 6467 6532 3032 2220 .module_src_\n+0001e440: 6772 6f6d 6163 735f 636f 6f72 6469 6e61 gromacs_coordina\n+0001e450: 7465 696f 2623 3435 3b26 6774 3b6d 6f64 teio->mod\n+0001e460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e470: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+0001e480: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+0001e660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001e670: 6162 6c65 7326 2334 353b 2667 743b 6d6f ables->mo\n+0001e680: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e690: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0001e6a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n+0001e890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e8a0: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+0001e8b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e8c0: 735f 6d64 7370 616e 3c2f 7469 746c 653e s_mdspan\n+0001e8d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+0001ea00: 3c67 2069 643d 2265 6467 6532 3035 2220 .module_src_\n+0001ea30: 6772 6f6d 6163 735f 7461 626c 6573 2623 gromacs_tables&#\n+0001ea40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ea50: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0001ea60: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......m\n+0001ec30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ec40: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0001ec50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001ec60: 7372 635f 7072 6f67 7261 6d73 5f6d 6472 src_programs_mdr\n+0001ec70: 756e 5f74 6573 7473 3c2f 7469 746c 653e un_tests\n+0001ec80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0001eda0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+0001ee20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ee30: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0001ee40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ee50: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0001ee60: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline.....\n+0001f000: 3c67 2069 643d 2265 6467 6532 3039 2220 .module_src_\n+0001f030: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0001f040: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0001f050: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f060: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options......mod\n+0001f1d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f1e0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0001f1f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001f200: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0001f210: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0001f3a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+0001f420: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0001f430: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+0001f440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001f450: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan......module_src_grom\n+0001f620: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0001f630: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0001f640: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001f650: 7870 7265 7072 6f63 6573 733c 2f74 6974 xpreprocess......modul\n+0001f8b0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0001f8c0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0001f8d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001f8e0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+0001f8f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001f900: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001f910: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001f920: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001f930: 643d 224d 3733 302e 392c 2d32 3331 2e36 d=\"M730.9,-231.6\n+0001f940: 3943 3734 342e 3339 2c2d 3237 352e 3236 9C744.39,-275.26\n+0001f950: 2037 3838 2e33 362c 2d34 3136 2e37 3220 788.36,-416.72 \n+0001f960: 3739 322c 2d34 3230 2e30 3920 3834 322e 792,-420.09 842.\n+0001f970: 3331 2c2d 3436 362e 3636 2038 3735 2e37 31,-466.66 875.7\n+0001f980: 372c 2d34 3338 2e33 3520 3934 322c 2d34 7,-438.35 942,-4\n+0001f990: 3536 2e30 3920 3934 342e 3939 2c2d 3435 56.09 944.99,-45\n+0001f9a0: 362e 3839 2039 3438 2e30 392c 2d34 3537 6.89 948.09,-457\n+0001f9b0: 2e37 3520 3935 312e 3139 2c2d 3435 382e .75 951.19,-458.\n+0001f9c0: 3633 222f 3e0a 3c70 6f6c 7967 6f6e 2066 63\"/>.<polygon f\n+0001f9d0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0001f9e0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0001f9f0: 6f69 6e74 733d 2239 3530 2e33 382c 2d34 oints=\"950.38,-4\n+0001fa00: 3632 2e30 3420 3936 302e 3935 2c2d 3436 62.04 960.95,-46\n+0001fa10: 312e 3437 2039 3532 2e33 332c 2d34 3535 1.47 952.33,-455\n+0001fa20: 2e33 3220 3935 302e 3338 2c2d 3436 322e .32 950.38,-462.\n+0001fa30: 3034 222f 3e0a 3c2f 673e 0a3c 212d 2d20 04\"/>.</g>.<!-- \n+0001fa40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001fa50: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0001fa60: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001fa70: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001fa80: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n+0001fa90: 6467 6532 3130 2220 636c 6173 733d 2265 dge210\" class=\"e\n+0001faa0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001fab0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001fac0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0001fad0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001fae0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001faf0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0001fba0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n+0001fe40: 0a3c 6720 6964 3d22 6564 6765 3232 3022 ..<\n+0001fe60: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001fe70: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0001fe80: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+0001fe90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001fea0: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random......mo\n+00020010: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00020020: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00020030: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00020040: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00020050: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......\n+000201d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000201e0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+000201f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00020200: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+00020210: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware..\n+000202d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....\n+000203b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000203c0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+000203d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000203e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+000203f0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.....\n+00020580: 3c67 2069 643d 2265 6467 6532 3137 2220 .module_src_\n+000205b0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+000205c0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+000205d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000205e0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n+000205f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+00020730: 3c67 2069 643d 2265 6467 6532 3134 2220 .module_src_\n+00020760: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00020770: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00020780: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020790: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility......m\n+00020980: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020990: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n+000209a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000209b0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+000209c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00020af0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+00020f40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020f50: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+00020f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020f70: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+00020f80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00020f90: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00020fa0: 2220 643d 224d 3934 342e 3632 2c2d 3230 \" d=\"M944.62,-20\n+00020fb0: 3943 3938 312e 3137 2c2d 3139 342e 3834 9C981.17,-194.84\n+00020fc0: 2031 3035 392e 3739 2c2d 3136 342e 3736 1059.79,-164.76\n+00020fd0: 2031 3132 372c 2d31 3431 2e37 3420 3131 1127,-141.74 11\n+00020fe0: 3637 2e37 392c 2d31 3237 2e37 3720 3132 67.79,-127.77 12\n+00020ff0: 3135 2e31 382c 2d31 3133 2e31 2031 3234 15.18,-113.1 124\n+00021000: 362e 3439 2c2d 3130 332e 3631 222f 3e0a 6.49,-103.61\"/>.\n+00021010: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+00021100: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n+00021110: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021120: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes......\n+000212b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000212c0: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+000212d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000212e0: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n+000212f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00021300: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00021310: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00021320: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00021330: 2220 643d 224d 3932 302e 3632 2c2d 3233 \" d=\"M920.62,-23\n+00021340: 312e 3534 4339 3132 2e35 322c 2d32 3633 1.54C912.52,-263\n+00021350: 2e35 3320 3839 332e 3939 2c2d 3335 302e .53 893.99,-350.\n+00021360: 3731 2039 3132 2c2d 3432 302e 3039 2039 71 912,-420.09 9\n+00021370: 3435 2e36 352c 2d35 3439 2e37 3220 3936 45.65,-549.72 96\n+00021380: 382e 3833 2c2d 3539 342e 3031 2031 3037 8.83,-594.01 107\n+00021390: 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7373 3d22 6e6f ode39\" class=\"no\n+00021480: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n+00021490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+000214a0: 656c 6563 7469 6f6e 3c2f 7469 746c 653e election\n+000214b0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3339 ...selection...<\n+000215e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+00021660: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+00021670: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00021680: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+00021690: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_gr\n+000218d0: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n+000218e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000218f0: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e rc_gromacs_onlin\n+00021900: 6568 656c 703c 2f74 6974 6c65 3e0a 3c70 ehelp...\n+00021a10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n+00021a80: 6475 6c65 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ity->modu\n+00021e20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00021e30: 6f6d 7061 7420 2d2d 3e0a 3c67 2069 643d ompat -->.<g id=\n+00021e40: 2265 6467 6532 3331 2220 636c 6173 733d \"edge231\" class=\n+00021e50: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00021e60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021e70: 735f 7574 696c 6974 7926 2334 353b 2667 s_utility-&g\n+00021e80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021e90: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n+00021ea0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021eb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00021ec0: 3832 6663 6322 2064 3d22 4d31 3431 372e 82fcc\" d=\"M1417.\n+00021ed0: 3633 2c2d 3635 3743 3133 3333 2e33 2c2d 63,-657C1333.3,-\n+00021ee0: 3635 352e 3437 2031 3037 382e 3837 2c2d 655.47 1078.87,-\n+00021ef0: 3634 322e 3538 2038 3939 2c2d 3534 352e 642.58 899,-545.\n+00021f00: 3833 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3637 2c2d 93,-179 651.67,-\n+00021ff0: 3136 382e 3932 2036 3437 2e39 332c 2d31 168.92 647.93,-1\n+00022000: 3738 2e38 3420 3635 342e 3933 2c2d 3137 78.84 654.93,-17\n+00022010: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 9\"/>.</g>.<!-- m\n+00022020: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00022030: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00022040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00022050: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n+00022060: 0a3c 6720 6964 3d22 6564 6765 3233 3222 .<g id=\"edge232\"\n+00022070: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00022080: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00022090: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+000220a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000220b0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+000220c0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils.\n+00022130: 0a3c 706f 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7468 es.....\n+00022940: 3c67 2069 643d 2265 6467 6532 3334 2220 .module_src_\n+00022970: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+00022980: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00022990: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+000229a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_\n+00022d80: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+00022d90: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n+00022da0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00022db0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.\n+00022e20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n+00022f10: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n+00022f20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00022f30: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00022f40: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......modul\n+00023150: 655f 7372 635f 6772 6f6d 6163 735f 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_mdtypes->\n+00023b10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00023b20: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n+00023b30: 6720 6964 3d22 6564 6765 3235 3122 2063 g id=\"edge251\" c\n+00023b40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00023b50: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00023b60: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+00023b70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00023b80: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00023b90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00023c90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n+00023d00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00023d10: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+00023d20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00023d30: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n+00023d40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00023d50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00023d60: 2223 3238 3266 6363 2220 643d 224d 3136 \"#282fcc\" d=\"M16\n+00023d70: 3539 2e38 382c 2d36 3439 2e33 4331 3730 59.88,-649.3C170\n+00023d80: 352e 3837 2c2d 3633 372e 3936 2031 3739 5.87,-637.96 179\n+00023d90: 352e 3536 2c2d 3631 372e 3032 2031 3834 5.56,-617.02 184\n+00023da0: 392e 3036 2c2d 3630 352e 3133 222f 3e0a 9.06,-605.13\"/>.\n+00023db0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00023dc0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+00023dd0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+00023de0: 2231 3834 392e 3932 2c2d 3630 382e 3532 \"1849.92,-608.52\n+00023df0: 2031 3835 382e 3933 2c2d 3630 322e 3935 1858.93,-602.95\n+00023e00: 2031 3834 382e 3431 2c2d 3630 312e 3639 1848.41,-601.69\n+00023e10: 2031 3834 392e 3932 2c2d 3630 382e 3532 1849.92,-608.52\n+00023e20: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00023e30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00023e40: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+00023e50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00023e60: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n+00023e70: 2069 643d 2265 6467 6532 3438 2220 636c id=\"edge248\" cl\n+00023e80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00023e90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00023ea0: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n+00023eb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00023ec0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+00023ed0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00023ee0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00023ef0: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n+00023f00: 3933 2e34 372c 2d36 3534 2e39 4331 3533 93.47,-654.9C153\n+00023f10: 342e 3431 2c2d 3635 302e 3339 2031 3431 4.41,-650.39 141\n+00023f20: 372e 3432 2c2d 3633 3820 3133 3233 2c2d 7.42,-638 1323,-\n+00023f30: 3630 382e 3720 3132 3333 2e38 312c 2d35 608.7 1233.81,-5\n+00023f40: 3831 2e30 3220 3132 3230 2e30 392c 2d35 81.02 1220.09,-5\n+00023f50: 3532 2e36 3820 3131 3333 2c2d 3531 382e 52.68 1133,-518.\n+00023f60: 3936 2031 3039 332e 3232 2c2d 3530 332e 96 1093.22,-503.\n+00023f70: 3536 2031 3034 362e 3335 2c2d 3438 392e 56 1046.35,-489.\n+00023f80: 3731 2031 3031 352e 382c 2d34 3830 2e38 71 1015.8,-480.8\n+00023f90: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00023fa0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00023fb0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+00023fc0: 6e74 733d 2231 3031 362e 3639 2c2d 3437 nts=\"1016.69,-47\n+00023fd0: 372e 3432 2031 3030 362e 3131 2c2d 3437 7.42 1006.11,-47\n+00023fe0: 372e 3938 2031 3031 342e 3733 2c2d 3438 7.98 1014.73,-48\n+00023ff0: 342e 3134 2031 3031 362e 3639 2c2d 3437 4.14 1016.69,-47\n+00024000: 372e 3432 222f 3e0a 3c2f 673e 0a3c 212d 7.42\"/>.</g>.<!-\n+00024010: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00024020: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n+00024030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00024040: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+00024050: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235 ->.<g id=\"edge25\n+00024060: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n+00024070: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00024080: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00024090: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+000240a0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000240b0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec..<\n+00024150: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+00024160: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+00024170: 706f 696e 7473 3d22 3136 3436 2e34 332c points=\"1646.43,\n+00024180: 2d33 3637 2e35 3120 3136 3434 2e30 372c -367.51 1644.07,\n+00024190: 2d33 3537 2e31 3820 3136 3339 2e34 382c -357.18 1639.48,\n+000241a0: 2d33 3636 2e37 3320 3136 3436 2e34 332c -366.73 1646.43,\n+000241b0: 2d33 3637 2e35 3122 2f3e 0a3c 2f67 3e0a -367.51\"/>..\n+000241c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00024230: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00024240: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n+00024250: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024260: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald....<\n+000243c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000243d0: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+000243e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000243f0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+00024400: 645f 666f 7263 6573 5f61 7768 202d 2d3e d_forces_awh -->\n+00024410: 0a3c 6720 6964 3d22 6564 6765 3234 3922 ..<\n+00024430: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00024440: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00024450: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00024460: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00024470: 6965 645f 666f 7263 6573 5f61 7768 3c2f ied_forces_awh..<\n+00024530: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00024540: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00024550: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00024560: 3636 372e 3736 2c2d 3737 382e 3620 3635 667.76,-778.6 65\n+00024570: 372e 3835 2c2d 3738 322e 3335 2036 3637 7.85,-782.35 667\n+00024580: 2e39 342c 2d37 3835 2e36 2036 3637 2e37 .94,-785.6 667.7\n+00024590: 362c 2d37 3738 2e36 222f 3e0a 3c2f 673e 6,-778.6\"/>.\n+000245a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+00024620: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00024630: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00024640: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00024650: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00024660: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+00024670: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00024680: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00024690: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+000246a0: 3d22 352c 3222 2064 3d22 4d31 3238 372e =\"5,2\" d=\"M1287.\n+000246b0: 3034 2c2d 3432 302e 3236 4331 3239 302e 04,-420.26C1290.\n+000246c0: 3436 2c2d 3434 322e 3620 3132 3937 2c2d 46,-442.6 1297,-\n+000246d0: 3439 302e 3620 3132 3937 2c2d 3533 312e 490.6 1297,-531.\n+000246e0: 3420 3132 3937 2c2d 3732 322e 3031 2031 4 1297,-722.01 1\n+000246f0: 3239 372c 2d37 3232 2e30 3120 3132 3937 297,-722.01 1297\n+00024700: 2c2d 3732 322e 3031 2031 3239 372c 2d37 ,-722.01 1297,-7\n+00024710: 3634 2e32 3120 3132 3031 2e33 312c 2d38 64.21 1201.31,-8\n+00024720: 3531 2e37 3720 3131 3537 2e30 312c 2d38 51.77 1157.01,-8\n+00024730: 3930 2e30 3422 2f3e 0a3c 706f 6c79 676f 90.04\"/>.....module_src_gr\n+00024830: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+00024840: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n+00024850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024860: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio.\n+00024950: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n+00024a40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024a50: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+00024a60: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+00024a70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00024a80: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_gr\n+00024bf0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+00024c00: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n+00024c10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024c20: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec......m\n+00024da0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024db0: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n+00024dc0: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n+00024dd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00024de0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.\n+00024e80: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+00024f70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024f80: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00024f90: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00024fa0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00024fb0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes....<\n+000250a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000250b0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+000250c0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+000250d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000250e0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000250f0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n+00025120: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+00025130: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n+00025140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025150: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00025160: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00025170: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00025180: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00025190: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000251a0: 6179 3d22 352c 3222 2064 3d22 4d31 3238 ay=\"5,2\" d=\"M128\n+000251b0: 302e 3235 2c2d 3432 302e 3039 4331 3237 0.25,-420.09C127\n+000251c0: 322e 3236 2c2d 3434 322e 3136 2031 3235 2.26,-442.16 125\n+000251d0: 372c 2d34 3839 2e37 3720 3132 3537 2c2d 7,-489.77 1257,-\n+000251e0: 3533 312e 3420 3132 3537 2c2d 3539 362e 531.4 1257,-596.\n+000251f0: 3237 2031 3235 372c 2d35 3936 2e32 3720 27 1257,-596.27 \n+00025200: 3132 3537 2c2d 3539 362e 3237 2031 3235 1257,-596.27 125\n+00025210: 372c 2d36 3332 2e34 3120 3132 3436 2e32 7,-632.41 1246.2\n+00025220: 352c 2d36 3733 2e32 3420 3132 3338 2e35 5,-673.24 1238.5\n+00025230: 372c 2d36 3937 2e37 3822 2f3e 0a3c 706f 7,-697.78\"/>.\n+000252b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+00025330: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00025340: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n+00025350: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00025360: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00025370: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..\n-000253e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n-00025450: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-000254d0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-000254e0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-000254f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00025500: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00025510: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes...\n-00025670: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-000256f0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00025700: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-00025710: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00025720: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-00025730: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om...\n-00025820: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-000258a0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-000258b0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-000258c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000258d0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-000258e0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib....<\n-00025a20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00025a30: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00025a40: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-00025a50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00025a60: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a macs_mdspan -->.\n-00025a70: 3c67 2069 643d 2265 6467 6532 3734 2220 .module_src_\n-00025aa0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00025ab0: 666f 7263 6573 5f61 7768 2623 3435 3b26 forces_awh-&\n-00025ac0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00025ad0: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469 omacs_mdspan.\n-00025b60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n-00025bd0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00025c40: 655f 7372 635f 7465 7374 7574 696c 7326 e_src_testutils&\n-00025c50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 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2032 3439 342c 2d31 3033 342e 3336 37 2494,-1034.36\n-00026100: 2032 3439 342c 2d31 3039 392e 3233 2032 2494,-1099.23 2\n-00026110: 3439 342c 2d31 3039 392e 3233 2032 3439 494,-1099.23 249\n-00026120: 342c 2d31 3039 392e 3233 2032 3439 342c 4,-1099.23 2494,\n-00026130: 2d31 3136 372e 3135 2032 3432 362e 3134 -1167.15 2426.14\n-00026140: 2c2d 3131 3535 2e32 3620 3233 3631 2c2d ,-1155.26 2361,-\n-00026150: 3131 3734 2e35 3320 3232 3234 2e31 362c 1174.53 2224.16,\n-00026160: 2d31 3231 352e 3032 2031 3739 342e 3436 -1215.02 1794.46\n-00026170: 2c2d 3132 3231 2e37 3420 3136 3235 2e38 ,-1221.74 1625.8\n-00026180: 362c 2d31 3232 322e 3739 222f 3e0a 3c70 6,-1222.79\"/>.....module_src_test\n-00026280: 7574 696c 7326 2334 353b 2667 743b 6d6f utils->mo\n-00026290: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000262a0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils......modul\n-00026470: 655f 7372 635f 7465 7374 7574 696c 7326 e_src_testutils&\n-00026480: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00026490: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e rc_gromacs_onlin\n-000264a0: 6568 656c 703c 2f74 6974 6c65 3e0a 3c70 ehelp......modu\n-00026660: 6c65 5f73 7263 5f70 726f 6772 616d 735f le_src_programs_\n-00026670: 6d64 7275 6e5f 7465 7374 7326 2334 353b mdrun_tests-\n-00026680: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00026690: 726f 6d61 6373 5f67 6d78 616e 613c 2f74 romacs_gmxana</t\n-000266a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000266b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000266c0: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n-000266d0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-000266e0: 643d 224d 3234 3935 2e39 352c 2d33 3532 d=\"M2495.95,-352\n-000266f0: 2e34 3143 3235 3633 2e32 382c 2d33 3634 .41C2563.28,-364\n-00026700: 2e32 3920 3236 3538 2c2d 3339 342e 3231 .29 2658,-394.21\n-00026710: 2032 3635 382c 2d34 3638 2e35 3320 3236 2658,-468.53 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735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+000258f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00025900: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00025910: 6266 6266 2220 643d 224d 3132 3339 2e32 bfbf\" d=\"M1239.2\n+00025920: 362c 2d37 3037 2e37 3343 3132 3732 2e32 6,-707.73C1272.2\n+00025930: 372c 2d36 3537 2e34 3120 3133 3933 2c2d 7,-657.41 1393,-\n+00025940: 3436 312e 3133 2031 3339 332c 2d32 3831 461.13 1393,-281\n+00025950: 2e39 3220 3133 3933 2c2d 3238 312e 3932 .92 1393,-281.92\n+00025960: 2031 3339 332c 2d32 3831 2e39 3220 3133 1393,-281.92 13\n+00025970: 3933 2c2d 3231 372e 3035 2031 3339 332c 93,-217.05 1393,\n+00025980: 2d31 3637 2e31 3220 3133 3432 2e32 362c -167.12 1342.26,\n+00025990: 2d31 3238 2e33 3520 3133 3039 2e30 392c -128.35 1309.09,\n+000259a0: 2d31 3038 2e33 3322 2f3e 0a3c 706f 6c79 -108.33\"/>.<poly\n+000259b0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+000259c0: 6622 2073 7472 6f6b 653d 2223 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2e31 3820 3231 3333 2c2d 3131 382e 54.18 2133,-118.\n+00025ba0: 3937 2032 3133 332c 2d37 382e 3132 2032 97 2133,-78.12 2\n+00025bb0: 3133 332c 2d35 332e 3239 222f 3e0a 3c70 133,-53.29\"/>.<p\n+00025bc0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00025bd0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00025be0: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n+00025bf0: 3133 362e 352c 2d35 332e 3038 2032 3133 136.5,-53.08 213\n+00025c00: 332c 2d34 332e 3038 2032 3132 392e 352c 3,-43.08 2129.5,\n+00025c10: 2d35 332e 3038 2032 3133 362e 352c 2d35 -53.08 2136.5,-5\n+00025c20: 332e 3038 222f 3e0a 3c2f 673e 0a3c 212d 3.08\"/>.</g>.<!-\n+00025c30: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00025c40: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00025c50: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00025c60: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00025c70: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+00025c80: 6564 6765 3236 3022 2063 6c61 7373 3d22 edge260\" class=\"\n+00025c90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00025ca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025cb0: 5f6d 6472 756e 7574 696c 6974 7926 2334 _mdrunutility\n+00025cc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00025cd0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00025ce0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+00025e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025e50: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00025e60: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+00025e70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025e80: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+00025e90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00025fc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00026040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00026050: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00026060: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n+00026070: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026080: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory</titl\n+00026090: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000260a0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000260b0: 6266 6266 2220 643d 224d 3632 312e 3333 bfbf\" d=\"M621.33\n+000260c0: 2c2d 3737 302e 3937 4336 3133 2e34 312c ,-770.97C613.41,\n+000260d0: 2d37 3631 2e31 3920 3630 312e 3932 2c2d -761.19 601.92,-\n+000260e0: 3734 362e 3936 2035 3932 2c2d 3733 342e 746.96 592,-734.\n+000260f0: 3434 2035 3630 2e35 382c 2d36 3934 2e38 44 560.58,-694.8\n+00026100: 2035 3534 2e31 312c 2d36 3833 2e37 3920 554.11,-683.79 \n+00026110: 3532 322c 2d36 3434 2e37 2034 3534 2e34 522,-644.7 454.4\n+00026120: 372c 2d35 3632 2e35 2033 3730 2e35 312c 7,-562.5 370.51,\n+00026130: 2d34 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\n- \n- nnpottopologypreprocessor.cpp\n- \n- \n- nnpottopologypreprocessor.cpp\n- \n \n nnpottopologypreprocessor.h\n \n \n nnpot.cpp\n \n \n nnpot.cpp\n \n+ \n+ nnpotforceprovider.cpp\n+ \n+ \n+ nnpotforceprovider.cpp\n+ \n \n nnpotoptions.cpp\n \n \n nnpotoptions.cpp\n \n+ \n+ nnpottopologypreprocessor.cpp\n+ \n+ \n+ nnpottopologypreprocessor.cpp\n+ \n \n torchmodel.cpp\n \n \n torchmodel.h\n \n \n@@ -76712,26 +76706,26 @@\n \n \n plumedMDModule.h\n \n \n plumedMDModule_stub.cpp\n \n- \n- plumedOptions.h\n- \n- \n- plumed_md_test.cpp\n- \n \n plumedOptions.cpp\n \n \n plumedOptions.cpp\n \n+ \n+ plumedOptions.h\n+ \n+ \n+ plumed_md_test.cpp\n+ \n \n plumedTestUtils.cpp\n \n __PLUMED_WRAPPER_FORTRAN\n \n \n __PLUMED_WRAPPER_LINK_RUNTIME\n@@ -76769,20 +76763,14 @@\n \n \n qmmminputgenerator.h\n \n \n qmmmoptions.h\n \n- \n- qmmmtopologypreprocessor.cpp\n- \n- \n- qmmmtopologypreprocessor.cpp\n- \n \n qmmmtopologypreprocessor.h\n \n \n qmmmtypes.h\n \n \n@@ -76805,29 +76793,35 @@\n \n \n qmmmoptions.cpp\n \n \n qmmmoptions.cpp\n \n+ \n+ qmmmtopologypreprocessor.cpp\n+ \n+ \n+ qmmmtopologypreprocessor.cpp\n+ \n+ \n+ electricfield.cpp\n+ \n+ \n+ electricfield.cpp\n+ \n \n cmdlinehelpcontext.cpp\n \n \n cmdlinehelpcontext.h\n \n \n cmdlinehelpmodule.h\n \n- \n- cmdlinehelpwriter.cpp\n- \n- \n- cmdlinehelpwriter.cpp\n- \n \n cmdlinehelpwriter.h\n \n \n cmdlineinit.cpp\n \n gmx_run_cmain\n@@ -76841,38 +76835,26 @@\n \n \n cmdlinemodule.cpp\n \n \n cmdlinemodule.h\n \n- \n- cmdlinemodulemanager.cpp\n- \n- \n- cmdlinemodulemanager.cpp\n- \n \n cmdlinemodulemanager.h\n \n \n cmdlinemodulemanager_impl.h\n \n \n cmdlineoptionsmodule.cpp\n \n \n cmdlineoptionsmodule.h\n \n- \n- cmdlineparser.cpp\n- \n- \n- cmdlineparser.cpp\n- \n \n cmdlineparser.h\n \n \n cmdlineprogramcontext.cpp\n \n \n@@ -76883,14 +76865,77 @@\n \n TEST_SYMLINKS\n \n \n \n cmdlineprogramcontext.h\n \n+ \n+ filenm.cpp\n+ \n+ IS_SET\n+ \n+ \n+ IS_OPT\n+ \n+ \n+ getFileOption\n+ \n+ \n+ opt2fn\n+ \n+ \n+ opt2fns\n+ \n+ \n+ opt2fnsIfOptionSet\n+ \n+ \n+ ftp2fn\n+ \n+ \n+ ftp2fns\n+ \n+ \n+ ftp2bSet\n+ \n+ \n+ opt2bSet\n+ \n+ \n+ opt2path_optional\n+ \n+ \n+ opt2fn_null\n+ \n+ \n+ ftp2path_optional\n+ \n+ \n+ ftp2fn_null\n+ \n+ \n+ is_optional\n+ \n+ \n+ is_output\n+ \n+ \n+ is_set\n+ \n+ \n+ hasSuffixFromNoAppend\n+ \n+ \n+ add_suffix_to_output_names\n+ \n+ \n+ \n+ filenm.cpp\n+ \n \n filenm.h\n \n ffSET\n \n \n ffREAD\n@@ -77090,82 +77135,37 @@\n \n \n cmdlinehelpmodule.cpp\n \n \n cmdlinehelpmodule.cpp\n \n+ \n+ cmdlinehelpwriter.cpp\n+ \n+ \n+ cmdlinehelpwriter.cpp\n+ \n+ \n+ cmdlinemodulemanager.cpp\n+ \n+ \n+ cmdlinemodulemanager.cpp\n+ \n \n cmdlinemodulemanagertest.cpp\n \n \n cmdlinemodulemanagertest.h\n \n- \n- filenm.cpp\n- \n- IS_SET\n- \n- \n- IS_OPT\n- \n- \n- getFileOption\n- \n- \n- opt2fn\n- \n- \n- opt2fns\n- \n- \n- opt2fnsIfOptionSet\n- \n- \n- ftp2fn\n- \n- \n- ftp2fns\n- \n- \n- ftp2bSet\n- \n- \n- opt2bSet\n- \n- \n- opt2path_optional\n- \n- \n- opt2fn_null\n- \n- \n- ftp2path_optional\n- \n- \n- ftp2fn_null\n- \n- \n- is_optional\n- \n- \n- is_output\n- \n- \n- is_set\n- \n- \n- hasSuffixFromNoAppend\n- \n- \n- add_suffix_to_output_names\n- \n+ \n+ cmdlineparser.cpp\n \n- \n- filenm.cpp\n+ \n+ cmdlineparser.cpp\n \n \n viewit.cpp\n \n canViewFileType\n \n \n@@ -78671,14 +78671,41 @@\n \n \n domdec_zones.cpp\n \n \n domdec_zones.h\n \n+ \n+ dump.cpp\n+ \n+ write_dd_grid_pdb\n+ \n+ \n+ write_dd_pdb\n+ \n+ \n+ \n+ dump.cpp\n+ \n+ \n+ dump.cpp\n+ \n+ \n+ dump.h\n+ \n+ write_dd_grid_pdb\n+ \n+ \n+ write_dd_pdb\n+ \n+ \n+ \n+ dump.h\n+ \n \n ga2la.cpp\n \n directListIsFaster\n \n \n \n@@ -79154,26 +79181,26 @@\n \n \n analysismodule.h\n \n \n energyanalysisframe.h\n \n- \n- energyterm.h\n- \n- \n- ienergyanalysis.h\n- \n \n energyterm.cpp\n \n \n energyterm.cpp\n \n+ \n+ energyterm.h\n+ \n+ \n+ ienergyanalysis.h\n+ \n \n legacyenergy.cpp\n \n \n edsam.cpp\n \n t_edpar\n@@ -81137,14 +81164,41 @@\n \n \n calcgrid.h\n \n calcFftGrid\n \n \n+ \n+ fft.cpp\n+ \n+ gmx_many_fft_t\n+ \n+ \n+ gmx_fft_init_many_1d\n+ \n+ \n+ gmx_fft_init_many_1d_real\n+ \n+ \n+ gmx_fft_many_1d\n+ \n+ \n+ gmx_fft_many_1d_real\n+ \n+ \n+ gmx_many_fft_destroy\n+ \n+ \n+ gmx_fft_transpose_2d\n+ \n+ \n+ \n+ fft.cpp\n+ \n \n fft.h\n \n gmx_fft_direction\n \n \n GMX_FFT_FORWARD\n@@ -81578,41 +81632,14 @@\n \n \n rocfft_common_utils.cpp\n \n \n rocfft_common_utils.h\n \n- \n- fft.cpp\n- \n- gmx_many_fft_t\n- \n- \n- gmx_fft_init_many_1d\n- \n- \n- gmx_fft_init_many_1d_real\n- \n- \n- gmx_fft_many_1d\n- \n- \n- gmx_fft_many_1d_real\n- \n- \n- gmx_many_fft_destroy\n- \n- \n- gmx_fft_transpose_2d\n- \n- \n- \n- fft.cpp\n- \n \n fft_mpi.cpp\n \n \n checkpoint.h\n \n GMX_IGNORE_FSYNC_FAILURE_ENV\n@@ -82565,14 +82592,20 @@\n \n write_hconf_p\n \n \n write_conf_p\n \n \n+ \n+ h5md.cpp\n+ \n+ \n+ h5md.cpp\n+ \n \n h5md.h\n \n \n h5md_guard.cpp\n \n \n@@ -82661,14 +82694,122 @@\n \n xdr_xtc_get_last_frame_time\n \n \n xdr_xtc_get_last_frame_number\n \n \n+ \n+ matio.cpp\n+ \n+ NMAP\n+ \n+ \n+ mapper\n+ \n+ \n+ mk_matrix\n+ \n+ \n+ done_matrix\n+ \n+ \n+ searchcmap\n+ \n+ \n+ getcmap\n+ \n+ \n+ readcmap\n+ \n+ \n+ printcmap\n+ \n+ \n+ writecmap\n+ \n+ \n+ fgetline\n+ \n+ \n+ skipstr\n+ \n+ \n+ line2string\n+ \n+ \n+ findLabelInLine\n+ \n+ \n+ read_xpm_entry\n+ \n+ \n+ read_xpm_matrix\n+ \n+ \n+ matrix2real\n+ \n+ \n+ write_xpm_header\n+ \n+ \n+ calc_nmid\n+ \n+ \n+ write_xpm_map3\n+ \n+ \n+ pr_simple_cmap\n+ \n+ \n+ pr_discrete_cmap\n+ \n+ \n+ write_xpm_map_split\n+ \n+ \n+ write_xpm_map\n+ \n+ \n+ writeXpmAxis\n+ \n+ \n+ write_xpm_data\n+ \n+ \n+ write_xpm_data3\n+ \n+ \n+ write_xpm_data_split\n+ \n+ \n+ write_xpm_m\n+ \n+ \n+ write_xpm3\n+ \n+ \n+ write_xpm3\n+ \n+ \n+ write_xpm_split\n+ \n+ \n+ write_xpm_split\n+ \n+ \n+ write_xpm\n+ \n+ \n+ write_xpm\n+ \n+ \n+ \n+ matio.cpp\n+ \n \n matio.h\n \n MAT_SPATIAL_X\n \n \n MAT_SPATIAL_Y\n@@ -82988,38 +83129,20 @@\n \n gmx_md5_append\n \n \n gmx_md5_finish\n \n \n- \n- mrcdensitymap.cpp\n- \n- \n- mrcdensitymap.cpp\n- \n \n mrcdensitymap.h\n \n- \n- mrcdensitymapheader.cpp\n- \n- \n- mrcdensitymapheader.cpp\n- \n \n mrcdensitymapheader.h\n \n- \n- mrcserializer.cpp\n- \n- \n- mrcserializer.cpp\n- \n \n mrcserializer.h\n \n \n mtxio.cpp\n \n GMX_MTXIO_MAGIC_NUMBER\n@@ -83180,89 +83303,14 @@\n \n gmx_conect_generate\n \n \n gmx_fprintf_pdb_atomline\n \n \n- \n- readinp.cpp\n- \n- read_inpfile\n- \n- \n- flatKeyValueTreeFromInpFile\n- \n- \n- sort_inp\n- \n- \n- write_inpfile\n- \n- \n- replace_inp_entry\n- \n- \n- search_einp\n- \n- \n- mark_einp_set\n- \n- \n- get_einp\n- \n- \n- get_eint\n- \n- \n- get_eint\n- \n- \n- get_eint64\n- \n- \n- get_eint64\n- \n- \n- get_ereal\n- \n- \n- get_ereal\n- \n- \n- get_estr\n- \n- \n- get_estr\n- \n- \n- get_eeenum\n- \n- \n- get_eeenum\n- \n- \n- get_eenum\n- \n- \n- printStringNewline\n- \n- \n- printStringNoNewline\n- \n- \n- setStringEntry\n- \n- \n- setStringEntry\n- \n- \n- \n- readinp.cpp\n- \n \n readinp.h\n \n WriteMdpHeader\n \n \n no\n@@ -83957,127 +84005,106 @@\n \n fn2ftp\n \n \n \n filetypes.cpp\n \n- \n- h5md.cpp\n+ \n+ mrcdensitymap.cpp\n \n- \n- h5md.cpp\n+ \n+ mrcdensitymap.cpp\n \n- \n- matio.cpp\n- \n- NMAP\n- \n- \n- mapper\n- \n- \n- mk_matrix\n- \n- \n- done_matrix\n- \n- \n- searchcmap\n- \n- \n- getcmap\n- \n- \n- readcmap\n- \n- \n- printcmap\n- \n- \n- writecmap\n- \n- \n- fgetline\n- \n- \n- skipstr\n- \n- \n- line2string\n+ \n+ mrcdensitymapheader.cpp\n+ \n+ \n+ mrcdensitymapheader.cpp\n+ \n+ \n+ mrcserializer.cpp\n+ \n+ \n+ mrcserializer.cpp\n+ \n+ \n+ readinp.cpp\n+ \n+ read_inpfile\n \n- \n- findLabelInLine\n+ \n+ flatKeyValueTreeFromInpFile\n \n- \n- read_xpm_entry\n+ \n+ sort_inp\n \n- \n- read_xpm_matrix\n+ \n+ write_inpfile\n \n- \n- matrix2real\n+ \n+ replace_inp_entry\n \n- \n- write_xpm_header\n+ \n+ search_einp\n \n- \n- calc_nmid\n+ \n+ mark_einp_set\n \n- \n- write_xpm_map3\n+ \n+ get_einp\n \n- \n- pr_simple_cmap\n+ \n+ get_eint\n \n- \n- pr_discrete_cmap\n+ \n+ get_eint\n \n- \n- write_xpm_map_split\n+ \n+ get_eint64\n \n- \n- write_xpm_map\n+ \n+ get_eint64\n \n- \n- writeXpmAxis\n+ \n+ get_ereal\n \n- \n- write_xpm_data\n+ \n+ get_ereal\n \n- \n- write_xpm_data3\n+ \n+ get_estr\n \n- \n- write_xpm_data_split\n+ \n+ get_estr\n \n- \n- write_xpm_m\n+ \n+ get_eeenum\n \n- \n- write_xpm3\n+ \n+ get_eeenum\n \n- \n- write_xpm3\n+ \n+ get_eenum\n \n- \n- write_xpm_split\n+ \n+ printStringNewline\n \n- \n- write_xpm_split\n+ \n+ printStringNoNewline\n \n- \n- write_xpm\n+ \n+ setStringEntry\n \n- \n- write_xpm\n+ \n+ setStringEntry\n \n \n- \n- matio.cpp\n+ \n+ readinp.cpp\n \n \n timecontrol.cpp\n \n \n timecontrol.cpp\n \n@@ -86507,14 +86534,80 @@\n \n dump_axes\n \n \n gmx_bundle\n \n \n+ \n+ gmx_chi.cpp\n+ \n+ INDEX\n+ \n+ \n+ NKKKPHI\n+ \n+ \n+ NKKKPSI\n+ \n+ \n+ NKKKCHI\n+ \n+ \n+ NJC\n+ \n+ \n+ NLEG\n+ \n+ \n+ NFILE\n+ \n+ \n+ bAllowed\n+ \n+ \n+ make_chi_ind\n+ \n+ \n+ do_dihcorr\n+ \n+ \n+ copy_dih_data\n+ \n+ \n+ dump_em_all\n+ \n+ \n+ reset_one\n+ \n+ \n+ reset_em_all\n+ \n+ \n+ histogramming\n+ \n+ \n+ rama_file\n+ \n+ \n+ do_rama\n+ \n+ \n+ print_transitions\n+ \n+ \n+ order_params\n+ \n+ \n+ gmx_chi\n+ \n+ \n+ \n+ gmx_chi.cpp\n+ \n \n gmx_cluster.cpp\n \n NFILE\n \n \n lo_ffprintf\n@@ -87569,47 +87662,14 @@\n \n tot_nmat\n \n \n gmx_mdmat\n \n \n- \n- gmx_mindist.cpp\n- \n- NSHIFT_MAX\n- \n- \n- NFILE\n- \n- \n- periodic_dist\n- \n- \n- periodic_mindist_plot\n- \n- \n- calc_dist\n- \n- \n- dist_plot\n- \n- \n- find_residues\n- \n- \n- dump_res\n- \n- \n- gmx_mindist\n- \n- \n- \n- gmx_mindist.cpp\n- \n \n gmx_nmeig.cpp\n \n NFILE\n \n \n cv_corr\n@@ -88100,62 +88160,14 @@\n \n process_tcaf\n \n \n gmx_tcaf\n \n \n- \n- gmx_traj.cpp\n- \n- NFILE\n- \n- \n- low_print_data\n- \n- \n- average_data\n- \n- \n- print_data\n- \n- \n- write_trx_x\n- \n- \n- make_legend\n- \n- \n- ekrot\n- \n- \n- ektrans\n- \n- \n- temp\n- \n- \n- remove_jump\n- \n- \n- write_pdb_bfac\n- \n- \n- update_histo\n- \n- \n- print_histo\n- \n- \n- gmx_traj\n- \n- \n- \n- gmx_traj.cpp\n- \n \n gmx_trjorder.cpp\n \n NFILE\n \n \n order\n@@ -89105,79 +89117,94 @@\n \n compute_scattering_factor_table\n \n \n \n entropy.cpp\n \n- \n- gmx_chi.cpp\n- \n- INDEX\n+ \n+ gmx_mindist.cpp\n+ \n+ NSHIFT_MAX\n \n- \n- NKKKPHI\n+ \n+ NFILE\n \n- \n- NKKKPSI\n+ \n+ periodic_dist\n \n- \n- NKKKCHI\n+ \n+ periodic_mindist_plot\n \n- \n- NJC\n+ \n+ calc_dist\n \n- \n- NLEG\n+ \n+ dist_plot\n \n- \n+ \n+ find_residues\n+ \n+ \n+ dump_res\n+ \n+ \n+ gmx_mindist\n+ \n+ \n+ \n+ gmx_mindist.cpp\n+ \n+ \n+ gmx_traj.cpp\n+ \n NFILE\n \n- \n- bAllowed\n+ \n+ low_print_data\n \n- \n- make_chi_ind\n+ \n+ average_data\n \n- \n- do_dihcorr\n+ \n+ print_data\n \n- \n- copy_dih_data\n+ \n+ write_trx_x\n \n- \n- dump_em_all\n+ \n+ make_legend\n \n- \n- reset_one\n+ \n+ ekrot\n \n- \n- reset_em_all\n+ \n+ ektrans\n \n- \n- histogramming\n+ \n+ temp\n \n- \n- rama_file\n+ \n+ remove_jump\n \n- \n- do_rama\n+ \n+ write_pdb_bfac\n \n- \n- print_transitions\n+ \n+ update_histo\n \n- \n- order_params\n+ \n+ print_histo\n \n- \n- gmx_chi\n+ \n+ gmx_traj\n \n \n- \n- gmx_chi.cpp\n+ \n+ gmx_traj.cpp\n \n \n thermochemistry.cpp\n \n eigenvalueToFrequency\n \n \n@@ -90212,32 +90239,14 @@\n \n \n gen_ad.h\n \n gen_pad\n \n \n- \n- gen_maxwell_velocities.cpp\n- \n- low_mspeed\n- \n- \n- maxwell_speed\n- \n- \n- calc_cm\n- \n- \n- stop_cm\n- \n- \n- \n- gen_maxwell_velocities.cpp\n- \n \n gen_maxwell_velocities.h\n \n maxwell_speed\n \n \n stop_cm\n@@ -90434,68 +90443,20 @@\n \n \n genhydro.h\n \n add_h\n \n \n- \n- genion.cpp\n- \n- NFILE\n- \n- \n- groupsCloserThanCutoffWithPbc\n- \n- \n- solventMoleculeIndices\n- \n- \n- insert_ion\n- \n- \n- aname\n- \n- \n- sort_ions\n- \n- \n- update_topol\n- \n- \n- invertIndexGroup\n- \n- \n- gmx_genion\n- \n- \n- \n- genion.cpp\n- \n \n genion.h\n \n gmx_genion\n \n \n- \n- genrestr.cpp\n- \n- npargs\n- \n- \n- NFILE\n- \n- \n- gmx_genrestr\n- \n- \n- \n- genrestr.cpp\n- \n \n genrestr.h\n \n gmx_genrestr\n \n \n \n@@ -91001,20 +90962,14 @@\n \n \n makeexclusiondistances.h\n \n makeExclusionDistances\n \n \n- \n- massrepartitioning.cpp\n- \n- \n- massrepartitioning.cpp\n- \n \n massrepartitioning.h\n \n \n nm2type.cpp\n \n prev\n@@ -91067,20 +91022,14 @@\n \n \n notset.h\n \n NOTSET\n \n \n- \n- pdb2gmx.cpp\n- \n- \n- pdb2gmx.cpp\n- \n \n pdb2gmx.h\n \n \n pdb2top.cpp\n \n NUM_CMAP_ATOMS\n@@ -91250,164 +91199,14 @@\n \n search_atom\n \n \n search_res_atom\n \n \n- \n- readir.cpp\n- \n- NOGID\n- \n- \n- CHECK\n- \n- \n- GroupCoverage\n- \n- \n- All\n- \n- \n- AllGenerateRest\n- \n- \n- Partial\n- \n- \n- OneGroup\n- \n- \n- inputrecStrings\n- \n- \n- constraints\n- \n- \n- couple_lam\n- \n- \n- init_inputrec_strings\n- \n- \n- done_inputrec_strings\n- \n- \n- getSimTemps\n- \n- \n- _low_check\n- \n- \n- check_nst\n- \n- \n- process_interaction_modifier\n- \n- \n- check_ir\n- \n- \n- parse_n_real\n- \n- \n- do_fep_params\n- \n- \n- do_simtemp_params\n- \n- \n- convertInts\n- \n- \n- convertReals\n- \n- \n- convertRvecs\n- \n- \n- do_wall_params\n- \n- \n- add_wall_energrps\n- \n- \n- read_expandedparams\n- \n- \n- couple_lambda_has_vdw_on\n- \n- \n- get_ir\n- \n- \n- getGroupIndex\n- \n- \n- atomGroupRangeValidation\n- \n- \n- do_numbering\n- \n- \n- calc_nrdf\n- \n- \n- do_egp_flag\n- \n- \n- make_swap_groups\n- \n- \n- make_IMD_group\n- \n- \n- checkAndUpdateVcmFreezeGroupConsistency\n- \n- \n- processEnsembleTemperature\n- \n- \n- do_index\n- \n- \n- processConstantAcceleration\n- \n- \n- check_disre\n- \n- \n- haveAbsoluteReference\n- \n- \n- havePositionRestraints\n- \n- \n- check_combination_rule_differences\n- \n- \n- check_combination_rules\n- \n- \n- allTrue\n- \n- \n- checksForFepLambaLargerOne\n- \n- \n- triple_check\n- \n- \n- double_check\n- \n- \n- \n- readir.cpp\n- \n \n readir.h\n \n \n \n \n eshNONE\n@@ -91733,14 +91532,32 @@\n \n convertInteractionsOfType\n \n \n \n convparm.cpp\n \n+ \n+ gen_maxwell_velocities.cpp\n+ \n+ low_mspeed\n+ \n+ \n+ maxwell_speed\n+ \n+ \n+ calc_cm\n+ \n+ \n+ stop_cm\n+ \n+ \n+ \n+ gen_maxwell_velocities.cpp\n+ \n \n genconf.cpp\n \n NFILE\n \n \n rand_rot\n@@ -91748,14 +91565,62 @@\n \n gmx_genconf\n \n \n \n genconf.cpp\n \n+ \n+ genion.cpp\n+ \n+ NFILE\n+ \n+ \n+ groupsCloserThanCutoffWithPbc\n+ \n+ \n+ solventMoleculeIndices\n+ \n+ \n+ insert_ion\n+ \n+ \n+ aname\n+ \n+ \n+ sort_ions\n+ \n+ \n+ update_topol\n+ \n+ \n+ invertIndexGroup\n+ \n+ \n+ gmx_genion\n+ \n+ \n+ \n+ genion.cpp\n+ \n+ \n+ genrestr.cpp\n+ \n+ npargs\n+ \n+ \n+ NFILE\n+ \n+ \n+ gmx_genrestr\n+ \n+ \n+ \n+ genrestr.cpp\n+ \n \n gpp_atomtype.cpp\n \n search_atomtypes\n \n \n \n@@ -91802,14 +91667,176 @@\n \n insert_mols\n \n \n \n insert_molecules.cpp\n \n+ \n+ massrepartitioning.cpp\n+ \n+ \n+ massrepartitioning.cpp\n+ \n+ \n+ pdb2gmx.cpp\n+ \n+ \n+ pdb2gmx.cpp\n+ \n+ \n+ readir.cpp\n+ \n+ NOGID\n+ \n+ \n+ CHECK\n+ \n+ \n+ GroupCoverage\n+ \n+ \n+ All\n+ \n+ \n+ AllGenerateRest\n+ \n+ \n+ Partial\n+ \n+ \n+ OneGroup\n+ \n+ \n+ inputrecStrings\n+ \n+ \n+ constraints\n+ \n+ \n+ couple_lam\n+ \n+ \n+ init_inputrec_strings\n+ \n+ \n+ done_inputrec_strings\n+ \n+ \n+ getSimTemps\n+ \n+ \n+ _low_check\n+ \n+ \n+ check_nst\n+ \n+ \n+ process_interaction_modifier\n+ \n+ \n+ check_ir\n+ \n+ \n+ parse_n_real\n+ \n+ \n+ do_fep_params\n+ \n+ \n+ do_simtemp_params\n+ \n+ \n+ convertInts\n+ \n+ \n+ convertReals\n+ \n+ \n+ convertRvecs\n+ \n+ \n+ do_wall_params\n+ \n+ \n+ add_wall_energrps\n+ \n+ \n+ read_expandedparams\n+ \n+ \n+ couple_lambda_has_vdw_on\n+ \n+ \n+ get_ir\n+ \n+ \n+ getGroupIndex\n+ \n+ \n+ atomGroupRangeValidation\n+ \n+ \n+ do_numbering\n+ \n+ \n+ calc_nrdf\n+ \n+ \n+ do_egp_flag\n+ \n+ \n+ make_swap_groups\n+ \n+ \n+ make_IMD_group\n+ \n+ \n+ checkAndUpdateVcmFreezeGroupConsistency\n+ \n+ \n+ processEnsembleTemperature\n+ \n+ \n+ do_index\n+ \n+ \n+ processConstantAcceleration\n+ \n+ \n+ check_disre\n+ \n+ \n+ haveAbsoluteReference\n+ \n+ \n+ havePositionRestraints\n+ \n+ \n+ check_combination_rule_differences\n+ \n+ \n+ check_combination_rules\n+ \n+ \n+ allTrue\n+ \n+ \n+ checksForFepLambaLargerOne\n+ \n+ \n+ triple_check\n+ \n+ \n+ double_check\n+ \n+ \n+ \n+ readir.cpp\n+ \n \n solvate.cpp\n \n NFILE\n \n \n sort_molecule\n@@ -93431,14 +93458,20 @@\n \n GMX_IS_X86_32\n \n \n GMX_IS_X86_64\n \n \n+ \n+ cpuinfo.cpp\n+ \n+ \n+ cpuinfo.cpp\n+ \n \n cpuinfo.h\n \n \n detecthardware.cpp\n \n \n@@ -93911,20 +93944,14 @@\n \n \n device_management_sycl_intel_device_ids.h\n \n getIntelHardwareVersionFromPciExpressID\n \n \n- \n- hardwaretopology.cpp\n- \n- \n- hardwaretopology.cpp\n- \n \n hardwaretopology.h\n \n \n hw_info.h\n \n ThreadAffinity\n@@ -93977,20 +94004,14 @@\n \n \n simd_support.cpp\n \n \n simd_support.h\n \n- \n- cpuinfo.cpp\n- \n- \n- cpuinfo.cpp\n- \n \n device_management.cpp\n \n findDevices\n \n \n setActiveDevice\n@@ -94007,14 +94028,20 @@\n \n doubleCheckGpuAwareMpiWillWork\n \n \n \n device_management.cpp\n \n+ \n+ hardwaretopology.cpp\n+ \n+ \n+ hardwaretopology.cpp\n+ \n \n mockhardwaretopology.cpp\n \n \n imd.cpp\n \n \n@@ -94067,14 +94094,35 @@\n \n eigensolver\n \n \n sparse_eigensolver\n \n \n+ \n+ matrix.h\n+ \n+ alloc_matrix\n+ \n+ \n+ free_matrix\n+ \n+ \n+ matrix_multiply\n+ \n+ \n+ matrix_invert\n+ \n+ \n+ multi_regression\n+ \n+ \n+ \n+ matrix.h\n+ \n \n sparsematrix.h\n \n gmx_sparsematrix_entry_t\n \n \n gmx_sparsematrix_t\n@@ -94097,14 +94145,44 @@\n \n gmx_sparsematrix_compress\n \n \n gmx_sparsematrix_vector_multiply\n \n \n+ \n+ matrix.cpp\n+ \n+ DEBUG_MATRIX\n+ \n+ \n+ alloc_matrix\n+ \n+ \n+ free_matrix\n+ \n+ \n+ matrix_multiply\n+ \n+ \n+ dump_matrix\n+ \n+ \n+ matrix_invert\n+ \n+ \n+ multi_regression\n+ \n+ \n+ \n+ matrix.cpp\n+ \n+ \n+ matrix.cpp\n+ \n \n sparsematrix.cpp\n \n gmx_sparsematrix_init\n \n \n gmx_sparsematrix_destroy\n@@ -94379,47 +94457,35 @@\n \n print_orires_log\n \n \n orires\n \n \n- \n- pairs.cpp\n- \n- warning_rlimit\n- \n- \n- evaluate_single\n- \n- \n- sixthRoot\n- \n- \n- free_energy_evaluate_single\n- \n- \n- do_pairs_general\n- \n- \n- do_pairs_simple\n- \n- \n- do_pairs\n- \n- \n- \n- pairs.cpp\n- \n \n pairs.h\n \n do_pairs\n \n \n+ \n+ position_restraints.cpp\n+ \n+ posres_wrapper\n+ \n+ \n+ posres_wrapper_lambda\n+ \n+ \n+ fbposres_wrapper\n+ \n+ \n+ \n+ position_restraints.cpp\n+ \n \n position_restraints.h\n \n posres_wrapper\n \n \n posres_wrapper_lambda\n@@ -94466,28 +94532,85 @@\n \n nrnbIndex\n \n \n \n bonded.cpp\n \n- \n- position_restraints.cpp\n- \n- posres_wrapper\n+ \n+ pairs.cpp\n+ \n+ warning_rlimit\n \n- \n- posres_wrapper_lambda\n+ \n+ evaluate_single\n \n- \n- fbposres_wrapper\n+ \n+ sixthRoot\n+ \n+ \n+ free_energy_evaluate_single\n+ \n+ \n+ do_pairs_general\n+ \n+ \n+ do_pairs_simple\n+ \n+ \n+ do_pairs\n \n \n- \n- position_restraints.cpp\n+ \n+ pairs.cpp\n+ \n+ \n+ utilities.h\n+ \n+ MathOptimization\n+ \n+ \n+ Safe\n+ \n+ \n+ Unsafe\n+ \n+ \n+ gmx_within_tol\n+ \n+ \n+ gmx_numzero\n+ \n+ \n+ check_int_multiply_for_overflow\n+ \n+ \n+ gmx_feenableexcept\n+ \n+ \n+ gmx_fedisableexcept\n+ \n+ \n+ gmxShouldEnableFPExceptions\n+ \n+ \n+ \n+ utilities.h\n+ \n+ ftypeIsListedPotential\n+ \n+ \n+ ftype_is_bonded_potential\n+ \n+ \n+ \n+ utilities.h\n+ \n+ genQmmmIndices\n+ \n \n \n 3dtransforms.cpp\n \n N\n \n \n@@ -94511,26 +94634,14 @@\n \n gmx_mat4_print\n \n \n gmx_vec4_print\n \n \n- \n- densityfit.cpp\n- \n- \n- densityfit.cpp\n- \n- \n- densityfittingforce.cpp\n- \n- \n- densityfittingforce.cpp\n- \n \n do_fit.cpp\n \n calc_similar_ind\n \n \n rmsdev_ind\n@@ -94556,14 +94667,20 @@\n \n reset_x_ndim\n \n \n reset_x\n \n \n+ \n+ functions.cpp\n+ \n+ \n+ functions.cpp\n+ \n \n 3dtransforms.h\n \n WW\n \n \n vec4\n@@ -94649,35 +94766,14 @@\n \n operator!=\n \n \n \n invertmatrix.h\n \n- \n- matrix.h\n- \n- alloc_matrix\n- \n- \n- free_matrix\n- \n- \n- matrix_multiply\n- \n- \n- matrix_invert\n- \n- \n- multi_regression\n- \n- \n- \n- matrix.h\n- \n \n multidimarray.h\n \n \n neldermead.h\n \n \n@@ -94736,19 +94832,19 @@\n \n pr_rvecs\n \n \n prRVecs\n \n \n- \n- invertmatrix.cpp\n+ \n+ neldermead.cpp\n \n- \n- invertmatrix.cpp\n+ \n+ neldermead.cpp\n \n \n nrjac.cpp\n \n do_rotate\n \n \n@@ -94781,83 +94877,86 @@\n \n \n coordinatetransformation.cpp\n \n \n coordinatetransformation.cpp\n \n+ \n+ densityfit.cpp\n+ \n+ \n+ densityfit.cpp\n+ \n+ \n+ densityfittingforce.cpp\n+ \n+ \n+ densityfittingforce.cpp\n+ \n \n dofit.cpp\n \n \n exponentialmovingaverage.cpp\n \n \n exponentialmovingaverage.cpp\n \n- \n- functions.cpp\n- \n- \n- functions.cpp\n- \n \n gausstransform.cpp\n \n \n gausstransform.cpp\n \n- \n- matrix.cpp\n- \n- DEBUG_MATRIX\n- \n- \n- alloc_matrix\n- \n- \n- free_matrix\n- \n- \n- matrix_multiply\n- \n- \n- dump_matrix\n- \n- \n- matrix_invert\n- \n- \n- multi_regression\n- \n- \n- \n- matrix.cpp\n+ \n+ invertmatrix.cpp\n \n- \n- matrix.cpp\n+ \n+ invertmatrix.cpp\n \n \n multidimarray.cpp\n \n- \n- neldermead.cpp\n- \n- \n- neldermead.cpp\n- \n \n paddedvector.cpp\n \n \n testarrayrefs.h\n \n \n vectypes.cpp\n \n+ \n+ utilities.cpp\n+ \n+ gmx_within_tol\n+ \n+ \n+ gmx_numzero\n+ \n+ \n+ check_int_multiply_for_overflow\n+ \n+ \n+ gmx_feenableexcept\n+ \n+ \n+ gmx_fedisableexcept\n+ \n+ \n+ gmxShouldEnableFPExceptions\n+ \n+ \n+ \n+ utilities.cpp\n+ \n+ genQmmmIndices\n+ \n+ \n \n veccompare.cpp\n \n cmp_rvec\n \n \n cmp_ivec\n@@ -94952,14 +95051,107 @@\n \n broadcastStateWithoutDynamics\n \n \n init_parallel\n \n \n+ \n+ calc_verletbuf.cpp\n+ \n+ verletbufGetListSetup\n+ \n+ \n+ verletbufGetSafeListSetup\n+ \n+ \n+ getMass\n+ \n+ \n+ get_vsite_masses\n+ \n+ \n+ getResolutions\n+ \n+ \n+ getVerletBufferAtomtypes\n+ \n+ \n+ constrained_atom_sigma2\n+ \n+ \n+ get_atom_sigma2\n+ \n+ \n+ approx_2dof\n+ \n+ \n+ energyDriftAtomPair\n+ \n+ \n+ energyDrift\n+ \n+ \n+ surface_frac\n+ \n+ \n+ md3_force_switch\n+ \n+ \n+ getVdwDerivatives\n+ \n+ \n+ getElecDerivatives\n+ \n+ \n+ displacementVariance\n+ \n+ \n+ maxSigma\n+ \n+ \n+ computeEffectiveAtomDensity\n+ \n+ \n+ computeEffectiveAtomDensity\n+ \n+ \n+ getForceDerivatives\n+ \n+ \n+ pressureError\n+ \n+ \n+ calcVerletBufferSize\n+ \n+ \n+ verletBufferPressureError\n+ \n+ \n+ minCellSizeFromPairlistBuffer\n+ \n+ \n+ chanceOfAtomCrossingCell\n+ \n+ \n+ getAtomConstraintProps\n+ \n+ \n+ chanceOfUpdateGroupCrossingCell\n+ \n+ \n+ chanceOfUpdateGroupCrossingCell\n+ \n+ \n+ minCellSizeForAtomDisplacement\n+ \n+ \n+ \n+ calc_verletbuf.cpp\n+ \n \n calc_verletbuf.h\n \n ChanceTarget\n \n \n Atom\n@@ -95048,23 +95240,14 @@\n \n \n compute_io.h\n \n compute_io\n \n \n- \n- constr.cpp\n- \n- \n- constr.cpp\n- \n- PrintTo\n- \n- \n \n constr.h\n \n \n constraint_gpu_helpers.cpp\n \n countCoupled\n@@ -95351,44 +95534,14 @@\n \n addCorrectionBeyondCutoff\n \n \n \n dispersioncorrection.h\n \n- \n- ebin.cpp\n- \n- mk_ebin\n- \n- \n- done_ebin\n- \n- \n- get_ebin_space\n- \n- \n- add_ebin\n- \n- \n- add_ebin_indexed\n- \n- \n- ebin_increase_count\n- \n- \n- reset_ebin_sums\n- \n- \n- pr_ebin\n- \n- \n- \n- ebin.cpp\n- \n \n ebin.h\n \n \n \n \n eprNORMAL\n@@ -95465,14 +95618,20 @@\n \n accumulatePotentialEnergies\n \n \n accumulateKineticLambdaComponents\n \n \n+ \n+ energydrifttracker.cpp\n+ \n+ \n+ energydrifttracker.cpp\n+ \n \n energydrifttracker.h\n \n \n energyoutput.h\n \n \n@@ -96389,20 +96548,14 @@\n \n \n rf_util.h\n \n calc_rffac\n \n \n- \n- settle.cpp\n- \n- \n- settle.cpp\n- \n \n settle.h\n \n \n settle_gpu.cpp\n \n \n@@ -96587,107 +96740,14 @@\n \n \n stophandler.cpp\n \n \n stophandler.h\n \n- \n- calc_verletbuf.cpp\n- \n- verletbufGetListSetup\n- \n- \n- verletbufGetSafeListSetup\n- \n- \n- getMass\n- \n- \n- get_vsite_masses\n- \n- \n- getResolutions\n- \n- \n- getVerletBufferAtomtypes\n- \n- \n- constrained_atom_sigma2\n- \n- \n- get_atom_sigma2\n- \n- \n- approx_2dof\n- \n- \n- energyDriftAtomPair\n- \n- \n- energyDrift\n- \n- \n- surface_frac\n- \n- \n- md3_force_switch\n- \n- \n- getVdwDerivatives\n- \n- \n- getElecDerivatives\n- \n- \n- displacementVariance\n- \n- \n- maxSigma\n- \n- \n- computeEffectiveAtomDensity\n- \n- \n- computeEffectiveAtomDensity\n- \n- \n- getForceDerivatives\n- \n- \n- pressureError\n- \n- \n- calcVerletBufferSize\n- \n- \n- verletBufferPressureError\n- \n- \n- minCellSizeFromPairlistBuffer\n- \n- \n- chanceOfAtomCrossingCell\n- \n- \n- getAtomConstraintProps\n- \n- \n- chanceOfUpdateGroupCrossingCell\n- \n- \n- chanceOfUpdateGroupCrossingCell\n- \n- \n- minCellSizeForAtomDisplacement\n- \n- \n- \n- calc_verletbuf.cpp\n- \n \n calcvir.cpp\n \n upd_vir\n \n \n calc_x_times_f\n@@ -96698,14 +96758,23 @@\n \n f_calc_vir\n \n \n \n calcvir.cpp\n \n+ \n+ constr.cpp\n+ \n+ \n+ constr.cpp\n+ \n+ PrintTo\n+ \n+ \n \n constrtestdata.cpp\n \n \n constrtestdata.h\n \n \n@@ -96716,19 +96785,43 @@\n \n GPU_CONSTRAINTS_SUPPORTED\n \n \n \n constrtestrunners_gpu.cpp\n \n- \n- energydrifttracker.cpp\n+ \n+ ebin.cpp\n+ \n+ mk_ebin\n+ \n+ \n+ done_ebin\n+ \n+ \n+ get_ebin_space\n+ \n+ \n+ add_ebin\n+ \n+ \n+ add_ebin_indexed\n+ \n+ \n+ ebin_increase_count\n+ \n+ \n+ reset_ebin_sums\n+ \n+ \n+ pr_ebin\n+ \n \n- \n- energydrifttracker.cpp\n+ \n+ ebin.cpp\n \n \n energyoutput.cpp\n \n conrmsd_nm\n \n \n@@ -96860,14 +96953,20 @@\n \n \n mdgpugraph.cpp\n \n \n parrinellorahman.cpp\n \n+ \n+ settle.cpp\n+ \n+ \n+ settle.cpp\n+ \n \n settletestdata.cpp\n \n \n settletestdata.h\n \n \n@@ -96890,14 +96989,20 @@\n \n \n simulationsignal.cpp\n \n \n simulationsignal.cpp\n \n+ \n+ updategroups.cpp\n+ \n+ \n+ updategroups.cpp\n+ \n \n updategroupscog.cpp\n \n \n updategroupscog.cpp\n \n \n@@ -97130,20 +97235,14 @@\n \n integrateVVFirstStep\n \n \n integrateVVSecondStep\n \n \n- \n- updategroups.cpp\n- \n- \n- updategroups.cpp\n- \n \n updategroups.h\n \n \n updategroupscog.h\n \n \n@@ -97847,20 +97946,14 @@\n \n rvec5\n \n \n t_disresdata\n \n \n- \n- forcebuffers.cpp\n- \n- \n- forcebuffers.cpp\n- \n \n forcebuffers.h\n \n \n forceoutput.h\n \n \n@@ -98288,20 +98381,14 @@\n \n t_mdatoms\n \n \n \n mdrunoptions.h\n \n- \n- multipletimestepping.cpp\n- \n- \n- multipletimestepping.cpp\n- \n \n multipletimestepping.h\n \n \n nblist.h\n \n \n@@ -98504,14 +98591,26 @@\n \n swaphistory_t\n \n \n \n enerdata.cpp\n \n+ \n+ forcebuffers.cpp\n+ \n+ \n+ forcebuffers.cpp\n+ \n+ \n+ multipletimestepping.cpp\n+ \n+ \n+ multipletimestepping.cpp\n+ \n \n threaded_force_buffer.cpp\n \n \n threaded_force_buffer.h\n \n \n@@ -98519,86 +98618,14 @@\n \n \n communicator.h\n \n \n communicator_stub.cpp\n \n- \n- utilities.cpp\n- \n- gmx_within_tol\n- \n- \n- gmx_numzero\n- \n- \n- check_int_multiply_for_overflow\n- \n- \n- gmx_feenableexcept\n- \n- \n- gmx_fedisableexcept\n- \n- \n- gmxShouldEnableFPExceptions\n- \n- \n- \n- utilities.cpp\n- \n- genQmmmIndices\n- \n- \n- \n- utilities.h\n- \n- MathOptimization\n- \n- \n- Safe\n- \n- \n- Unsafe\n- \n- \n- gmx_within_tol\n- \n- \n- gmx_numzero\n- \n- \n- check_int_multiply_for_overflow\n- \n- \n- gmx_feenableexcept\n- \n- \n- gmx_fedisableexcept\n- \n- \n- gmxShouldEnableFPExceptions\n- \n- \n- \n- utilities.h\n- \n- ftypeIsListedPotential\n- \n- \n- ftype_is_bonded_potential\n- \n- \n- \n- utilities.h\n- \n- genQmmmIndices\n- \n- \n \n andersentemperaturecoupling.cpp\n \n \n andersentemperaturecoupling.h\n \n \n@@ -100034,55 +100061,55 @@\n \n \n testsystem.cpp\n \n \n testsystem.h\n \n- \n- helpformat.cpp\n- \n- \n- helpformat.cpp\n- \n \n helpformat.h\n \n+ \n+ helpmanager.cpp\n+ \n+ \n+ helpmanager.cpp\n+ \n \n helpmanager.h\n \n \n helptopic.cpp\n \n \n helptopic.h\n \n- \n- helpwritercontext.cpp\n- \n- \n- helpwritercontext.cpp\n- \n \n helpwritercontext.h\n \n \n ihelptopic.h\n \n \n rstparser.cpp\n \n \n rstparser.h\n \n- \n- helpmanager.cpp\n+ \n+ helpformat.cpp\n \n- \n- helpmanager.cpp\n+ \n+ helpformat.cpp\n+ \n+ \n+ helpwritercontext.cpp\n+ \n+ \n+ helpwritercontext.cpp\n \n \n mock_helptopic.cpp\n \n \n mock_helptopic.h\n \n@@ -100109,19 +100136,19 @@\n \n \n behaviorcollection.cpp\n \n \n behaviorcollection.h\n \n- \n- filenameoption.cpp\n+ \n+ filenameoptionmanager.cpp\n \n- \n- filenameoption.cpp\n+ \n+ filenameoptionmanager.cpp\n \n \n filenameoptionstorage.h\n \n \n isectionstorage.h\n \n@@ -100160,19 +100187,19 @@\n \n \n repeatingsection.h\n \n \n abstractoptionstorage.cpp\n \n- \n- filenameoptionmanager.cpp\n+ \n+ filenameoption.cpp\n \n- \n- filenameoptionmanager.cpp\n+ \n+ filenameoption.cpp\n \n \n option.cpp\n \n \n repeatingsection.cpp\n \n@@ -100499,20 +100526,14 @@\n \n \n pbc_simd.cpp\n \n set_pbc_simd\n \n \n- \n- pbcenums.cpp\n- \n- \n- pbcenums.cpp\n- \n \n pbcmethods.cpp\n \n calc_pbc_cluster\n \n \n put_molecule_com_in_box\n@@ -100634,14 +100655,20 @@\n \n unshift_self\n \n \n \n mshift.cpp\n \n+ \n+ pbcenums.cpp\n+ \n+ \n+ pbcenums.cpp\n+ \n \n pull.h\n \n c_pullGroupPbcMargin\n \n \n c_pullGroupSmallGroupThreshold\n@@ -100790,14 +100817,164 @@\n \n pull_print_output\n \n \n initPullHistory\n \n \n+ \n+ pull.cpp\n+ \n+ Lock\n+ \n+ \n+ sc_isAngleType\n+ \n+ \n+ registrationMutex\n+ \n+ \n+ groupPbcFromParams\n+ \n+ \n+ pull_coordinate_is_directional\n+ \n+ \n+ pull_coordinate_units\n+ \n+ \n+ pull_conversion_factor_userinput2internal\n+ \n+ \n+ pull_conversion_factor_internal2userinput\n+ \n+ \n+ apply_forces_grp_part\n+ \n+ \n+ apply_forces_grp\n+ \n+ \n+ apply_forces_cyl_grp\n+ \n+ \n+ apply_forces_vec_torque\n+ \n+ \n+ apply_forces_coord\n+ \n+ \n+ max_pull_distance2\n+ \n+ \n+ low_get_pull_coord_dr\n+ \n+ \n+ get_pull_coord_dr\n+ \n+ \n+ make_periodic_2pi\n+ \n+ \n+ sanitizePullCoordReferenceValue\n+ \n+ \n+ updatePullCoordReferenceValue\n+ \n+ \n+ get_dihedral_angle_coord\n+ \n+ \n+ get_pull_coord_distance\n+ \n+ \n+ get_pull_coord_deviation\n+ \n+ \n+ get_pull_coord_value\n+ \n+ \n+ get_pull_coord_value\n+ \n+ \n+ clear_pull_forces\n+ \n+ \n+ do_constraint\n+ \n+ \n+ add_virial_coord_dr\n+ \n+ \n+ add_virial_coord\n+ \n+ \n+ calc_pull_coord_scalar_force_and_potential\n+ \n+ \n+ calculateVectorForces\n+ \n+ \n+ register_external_pull_potential\n+ \n+ \n+ check_external_potential_registration\n+ \n+ \n+ apply_external_pull_coord_force\n+ \n+ \n+ do_pull_pot_coord\n+ \n+ \n+ pull_potential\n+ \n+ \n+ pull_apply_forces\n+ \n+ \n+ pull_constraint\n+ \n+ \n+ dd_make_local_pull_groups\n+ \n+ \n+ init_pull_group_index\n+ \n+ \n+ init_pull\n+ \n+ \n+ destroy_pull\n+ \n+ \n+ preparePrevStepPullComNewSimulation\n+ \n+ \n+ preparePrevStepPullCom\n+ \n+ \n+ finish_pull\n+ \n+ \n+ pull_have_potential\n+ \n+ \n+ pull_have_constraint\n+ \n+ \n+ pull_have_constraint\n+ \n+ \n+ \n+ pull.cpp\n+ \n+ \n+ pull.cpp\n+ \n \n pull_internal.h\n \n \n \n \n epgrppbcNONE\n@@ -101126,164 +101303,14 @@\n \n allocStatePrevStepPullCom\n \n \n initPullComFromPrevStep\n \n \n- \n- pull.cpp\n- \n- Lock\n- \n- \n- sc_isAngleType\n- \n- \n- registrationMutex\n- \n- \n- groupPbcFromParams\n- \n- \n- pull_coordinate_is_directional\n- \n- \n- pull_coordinate_units\n- \n- \n- pull_conversion_factor_userinput2internal\n- \n- \n- pull_conversion_factor_internal2userinput\n- \n- \n- apply_forces_grp_part\n- \n- \n- apply_forces_grp\n- \n- \n- apply_forces_cyl_grp\n- \n- \n- apply_forces_vec_torque\n- \n- \n- apply_forces_coord\n- \n- \n- max_pull_distance2\n- \n- \n- low_get_pull_coord_dr\n- \n- \n- get_pull_coord_dr\n- \n- \n- make_periodic_2pi\n- \n- \n- sanitizePullCoordReferenceValue\n- \n- \n- updatePullCoordReferenceValue\n- \n- \n- get_dihedral_angle_coord\n- \n- \n- get_pull_coord_distance\n- \n- \n- get_pull_coord_deviation\n- \n- \n- get_pull_coord_value\n- \n- \n- get_pull_coord_value\n- \n- \n- clear_pull_forces\n- \n- \n- do_constraint\n- \n- \n- add_virial_coord_dr\n- \n- \n- add_virial_coord\n- \n- \n- calc_pull_coord_scalar_force_and_potential\n- \n- \n- calculateVectorForces\n- \n- \n- register_external_pull_potential\n- \n- \n- check_external_potential_registration\n- \n- \n- apply_external_pull_coord_force\n- \n- \n- do_pull_pot_coord\n- \n- \n- pull_potential\n- \n- \n- pull_apply_forces\n- \n- \n- pull_constraint\n- \n- \n- dd_make_local_pull_groups\n- \n- \n- init_pull_group_index\n- \n- \n- init_pull\n- \n- \n- destroy_pull\n- \n- \n- preparePrevStepPullComNewSimulation\n- \n- \n- preparePrevStepPullCom\n- \n- \n- finish_pull\n- \n- \n- pull_have_potential\n- \n- \n- pull_have_constraint\n- \n- \n- pull_have_constraint\n- \n- \n- \n- pull.cpp\n- \n- \n- pull.cpp\n- \n \n transformationcoordinate.cpp\n \n \n transformationcoordinate.h\n \n \n@@ -101816,20 +101843,14 @@\n \n _gmx_sel_mempool_alloc_group\n \n \n _gmx_sel_mempool_free_group\n \n \n- \n- nbsearch.cpp\n- \n- \n- nbsearch.cpp\n- \n \n params.cpp\n \n gmx_ana_selparam_find\n \n \n convert_value\n@@ -102356,14 +102377,20 @@\n \n \n selectionfileoption.h\n \n \n selectionfileoptionstorage.h\n \n+ \n+ selectionoption.cpp\n+ \n+ \n+ selectionoption.cpp\n+ \n \n selectionoptionbehavior.cpp\n \n \n selectionoptionmanager.cpp\n \n \n@@ -103589,14 +103616,20 @@\n \n gmx_ana_indexmap_deinit\n \n \n \n indexutil.cpp\n \n+ \n+ nbsearch.cpp\n+ \n+ \n+ nbsearch.cpp\n+ \n \n poscalc.cpp\n \n index_type_for_poscalc\n \n \n set_poscalc_maxindex\n@@ -103643,20 +103676,14 @@\n \n \n selectioncollection.cpp\n \n \n selectioncollection.cpp\n \n- \n- selectionoption.cpp\n- \n- \n- selectionoption.cpp\n- \n \n toputils.cpp\n \n \n toputils.h\n \n \n@@ -103817,50 +103844,14 @@\n \n \n scalar_math.h\n \n \n scalar_util.h\n \n- \n- simd_math.h\n- \n- \n- simd_memory.h\n- \n- \n- vector_operations.h\n- \n- \n- base.cpp\n- \n- \n- base.h\n- \n- GMX_SIMD_ACCURACY_BITS_REAL\n- \n- \n- \n- bootstrap_loadstore.cpp\n- \n- \n- data.h\n- \n- \n- scalar.cpp\n- \n- \n- scalar_math.cpp\n- \n- \n- scalar_util.cpp\n- \n- \n- simd.cpp\n- \n \n simd.h\n \n GMX_SIMD_HAVE_REAL\n \n \n GMX_SIMD_REAL_WIDTH\n@@ -103901,14 +103892,50 @@\n \n GMX_SIMD4N_REAL_WIDTH\n \n \n \n simd.h\n \n+ \n+ simd_math.h\n+ \n+ \n+ simd_memory.h\n+ \n+ \n+ vector_operations.h\n+ \n+ \n+ base.cpp\n+ \n+ \n+ base.h\n+ \n+ GMX_SIMD_ACCURACY_BITS_REAL\n+ \n+ \n+ \n+ bootstrap_loadstore.cpp\n+ \n+ \n+ data.h\n+ \n+ \n+ scalar.cpp\n+ \n+ \n+ scalar_math.cpp\n+ \n+ \n+ scalar_util.cpp\n+ \n+ \n+ simd.cpp\n+ \n \n simd4.cpp\n \n \n simd4.h\n \n \n@@ -105254,26 +105281,14 @@\n \n print_runtime_info\n \n \n \n convert_tpr.h\n \n- \n- dump.h\n- \n- write_dd_grid_pdb\n- \n- \n- write_dd_pdb\n- \n- \n- \n- dump.h\n- \n \n eneconv.cpp\n \n TIME_EXPLICIT\n \n \n TIME_CONTINUE\n@@ -105425,41 +105440,32 @@\n \n \n pme_error.h\n \n gmx_pme_error\n \n \n+ \n+ report_methods.cpp\n+ \n+ \n+ report_methods.cpp\n+ \n \n report_methods.h\n \n \n convert-tpr-fixture.h\n \n \n convert-tpr-with-leaks.cpp\n \n \n convert-tpr.cpp\n \n- \n- dump.cpp\n- \n- write_dd_grid_pdb\n- \n- \n- write_dd_pdb\n- \n- \n- \n- dump.cpp\n- \n- \n- dump.cpp\n- \n \n helpwriting.cpp\n \n \n helpwriting.cpp\n \n \n@@ -105563,20 +105569,14 @@\n \n gmx_make_ndx\n \n \n \n make_ndx.cpp\n \n- \n- report_methods.cpp\n- \n- \n- report_methods.cpp\n- \n \n trjconv.cpp\n \n \n trjconv.cpp\n \n NPA\n@@ -106136,95 +106136,14 @@\n \n gmx_mtop_bondeds_free_energy\n \n \n gmx_sort_ilist_fe\n \n \n- \n- index.cpp\n- \n- t_gmx_help_make_index_group\n- \n- \n- gmx_ask_yesno\n- \n- \n- write_index\n- \n- \n- grp_cmp\n- \n- \n- printMoleculeCategoryResidueCounts\n- \n- \n- mk_aid\n- \n- \n- analyse_other\n- \n- \n- analyse_prot\n- \n- \n- analyse\n- \n- \n- check_index\n- \n- \n- init_index\n- \n- \n- init_index\n- \n- \n- minstring\n- \n- \n- indexGroupName\n- \n- \n- indexGroupName\n- \n- \n- findGroupTemplated\n- \n- \n- find_group\n- \n- \n- find_group\n- \n- \n- qgroup\n- \n- \n- rd_groups\n- \n- \n- rd_index\n- \n- \n- rd_index\n- \n- \n- get_index\n- \n- \n- get_index\n- \n- \n- cluster_index\n- \n- \n- \n- index.cpp\n- \n \n invblock.cpp\n \n make_invblock\n \n \n \n@@ -106457,14 +106376,95 @@\n \n \n exclusionblocks.cpp\n \n \n exclusionblocks.cpp\n \n+ \n+ index.cpp\n+ \n+ t_gmx_help_make_index_group\n+ \n+ \n+ gmx_ask_yesno\n+ \n+ \n+ write_index\n+ \n+ \n+ grp_cmp\n+ \n+ \n+ printMoleculeCategoryResidueCounts\n+ \n+ \n+ mk_aid\n+ \n+ \n+ analyse_other\n+ \n+ \n+ analyse_prot\n+ \n+ \n+ analyse\n+ \n+ \n+ check_index\n+ \n+ \n+ init_index\n+ \n+ \n+ init_index\n+ \n+ \n+ minstring\n+ \n+ \n+ indexGroupName\n+ \n+ \n+ indexGroupName\n+ \n+ \n+ findGroupTemplated\n+ \n+ \n+ find_group\n+ \n+ \n+ find_group\n+ \n+ \n+ qgroup\n+ \n+ \n+ rd_groups\n+ \n+ \n+ rd_index\n+ \n+ \n+ rd_index\n+ \n+ \n+ get_index\n+ \n+ \n+ get_index\n+ \n+ \n+ cluster_index\n+ \n+ \n+ \n+ index.cpp\n+ \n \n mtop.cpp\n \n \n symtab.cpp\n \n c_trimSize\n@@ -106511,32 +106511,14 @@\n \n pr_symtab\n \n \n \n symtab.cpp\n \n- \n- topsort.cpp\n- \n- \n- topsort.cpp\n- \n- ip_pert\n- \n- \n- hasPerturbedCharge\n- \n- \n- gmx_mtop_bondeds_free_energy\n- \n- \n- gmx_sort_ilist_fe\n- \n- \n \n topology.cpp\n \n shortName\n \n \n gmx_mtop_maxresnr\n@@ -106625,14 +106607,32 @@\n \n getGroupType\n \n \n copy_moltype\n \n \n+ \n+ topsort.cpp\n+ \n+ \n+ topsort.cpp\n+ \n+ ip_pert\n+ \n+ \n+ hasPerturbedCharge\n+ \n+ \n+ gmx_mtop_bondeds_free_energy\n+ \n+ \n+ gmx_sort_ilist_fe\n+ \n+ \n \n energyframe.cpp\n \n \n energyframe.h\n \n \n@@ -106922,20 +106922,14 @@\n \n \n topologyinformation.cpp\n \n \n topologyinformation.cpp\n \n- \n- alignedallocator.cpp\n- \n- \n- alignedallocator.cpp\n- \n \n any.cpp\n \n \n basenetwork.cpp\n \n gmx_mpi_initialized\n@@ -107288,14 +107282,74 @@\n \n gmx_abort\n \n \n \n binaryinformation.h\n \n+ \n+ bitmask.h\n+ \n+ BITMASK_SIZE\n+ \n+ \n+ gmx_bitmask_t\n+ \n+ \n+ bitmask_clear\n+ \n+ \n+ bitmask_set_bit\n+ \n+ \n+ bitmask_init_bit\n+ \n+ \n+ bitmask_init_low_bits\n+ \n+ \n+ bitmask_is_set\n+ \n+ \n+ bitmask_is_disjoint\n+ \n+ \n+ bitmask_is_equal\n+ \n+ \n+ bitmask_is_zero\n+ \n+ \n+ bitmask_union\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ \n+ bitmask.h\n+ \n+ BITMASK_CLASSNAME_\n+ \n+ \n+ BITMASK_CLASSNAME\n+ \n+ \n+ BITMASK_TEST_P_\n+ \n+ \n+ BITMASK_TEST_P\n+ \n+ \n \n booltype.h\n \n \n compare.h\n \n equal_real\n@@ -107732,20 +107786,14 @@\n \n \n typetraits.h\n \n \n init.cpp\n \n- \n- inmemoryserializer.cpp\n- \n- \n- inmemoryserializer.cpp\n- \n \n int64_to_int.cpp\n \n int64_to_int\n \n \n \n@@ -107867,80 +107915,26 @@\n \n gmx_format_current_time\n \n \n gmx_set_nice\n \n \n+ \n+ alignedallocator.cpp\n+ \n+ \n+ alignedallocator.cpp\n+ \n \n alignedallocator_impl.h\n \n \n arrayref.cpp\n \n- \n- bitmask.h\n- \n- BITMASK_SIZE\n- \n- \n- gmx_bitmask_t\n- \n- \n- bitmask_clear\n- \n- \n- bitmask_set_bit\n- \n- \n- bitmask_init_bit\n- \n- \n- bitmask_init_low_bits\n- \n- \n- bitmask_is_set\n- \n- \n- bitmask_is_disjoint\n- \n- \n- bitmask_is_equal\n- \n- \n- bitmask_is_zero\n- \n- \n- bitmask_union\n- \n- \n- to_hex_string\n- \n- \n- to_hex_string\n- \n- \n- to_hex_string\n- \n- \n- \n- bitmask.h\n- \n- BITMASK_CLASSNAME_\n- \n- \n- BITMASK_CLASSNAME\n- \n- \n- BITMASK_TEST_P_\n- \n- \n- BITMASK_TEST_P\n- \n- \n \n bitmask128.cpp\n \n BITMASK_SIZE\n \n \n \n@@ -108029,14 +108023,20 @@\n \n \n enumerationhelpers.cpp\n \n \n fixedcapacityvector.cpp\n \n+ \n+ inmemoryserializer.cpp\n+ \n+ \n+ inmemoryserializer.cpp\n+ \n \n keyvaluetreeserializer.cpp\n \n SERIALIZER\n \n \n \n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2025.1-Debian_2025.1_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.1-Debian_2025.1_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17658,15 +17658,15 @@\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 2026:\n+\u00a9 2001 \u2013 2025:\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": "@@ -4457,15 +4457,15 @@\n 00011680: 6973 7472 792c 2055 6e69 7665 7273 6974 istry, Universit\n 00011690: 7920 6f66 2047 726f 6e69 6e67 656e 2e0a y of Groningen..\n 000116a0: 4e69 6a65 6e62 6f72 6768 2034 2c20 3937 Nijenborgh 4, 97\n 000116b0: 3437 2041 4720 4772 6f6e 696e 6765 6e2c 47 AG Groningen,\n 000116c0: 2054 6865 204e 6574 6865 726c 616e 6473 The Netherlands\n 000116d0: 2e3c 2f70 3e0a 3c2f 6469 763e 3c2f 626c .

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.\n 00011710: 3c64 6976 3e3c 703e 5468 6520 4752 4f4d

The GROM\n 00011720: 4143 5320 6465 7665 6c6f 706d 656e 7420 ACS development \n 00011730: 7465 616d 7320 6174 2074 6865 2052 6f79 teams at the Roy\n 00011740: 616c 2049 6e73 7469 7475 7465 206f 6620 al Institute of \n 00011750: 5465 6368 6e6f 6c6f 6779 2061 6e64 0a55 Technology and.U\n 00011760: 7070 7361 6c61 2055 6e69 7665 7273 6974 ppsala Universit\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -457,15 +457,15 @@\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 2026:\n+\u00a9 2001 \u2013 2025:\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": "@@ -11088,15 +11088,15 @@\n \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 371],\n \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 337, 348, 371],\n \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 326, 371],\n \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 318, 327, 371],\n \"2023\": [38, 122, 193, 287, 301, 302, 323, 329, 330, 331, 332, 333, 334, 371],\n \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 318, 339, 345, 352, 353, 366],\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, 346, 347, 349, 350, 351, 352, 353, 354, 355, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375],\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],\n+ \"2026\": [249, 356],\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"}]}]}]}]}]}