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romacs_commandli\n-00001bc0: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n-00001bd0: 6765 3131 2220 636c 6173 733d 2265 6467 ge11\" class=\"edg\n-00001be0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00001bf0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00001c00: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-00001c10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00001c20: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-00001c30: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......modu\n-00001da0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00001db0: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-00001dc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00001dd0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-00001de0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00001df0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00001e00: 2223 6266 6266 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27.25,-729.73 81\n-00001ef0: 362e 3636 2c2d 3732 392e 3937 2038 3139 6.66,-729.97 819\n-00001f00: 2e31 322c 2d37 3336 2e35 3222 2f3e 0a3c .12,-736.52\"/>.<\n-00001f10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00001f20: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00001f30: 6e75 7469 6c69 7479 2623 3435 3b26 6774 nutility->\n-00001f40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00001f50: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-00001f60: 6720 6964 3d22 6564 6765 3822 2063 6c61 g id=\"edge8\" cla\n-00001f70: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00001f80: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00001f90: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-00001fa0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-00001fb0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00001fc0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......modu\n-00002390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-000023a0: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-000023b0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .hard\n-00002460: 7761 7265 3c2f 7465 7874 3e0a 3c2f 673e ware.\n-00002470: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-000024f0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-00002500: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-00002510: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-00002520: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware......m\n-00002750: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00002760: 735f 6d64 7275 6e3c 2f74 6974 6c65 3e0a s_mdrun.\n-00002770: 3c67 2069 643d 2261 5f6e 6f64 6534 3122 .<\n-000027d0: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n-000027e0: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n-000027f0: 6c61 636b 2220 6378 3d22 3935 3122 2063 lack\" cx=\"951\" c\n-00002800: 793d 222d 3334 332e 3739 2220 7278 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7461 626c 6573 2623 3435 omacs_tables-\n-00003200: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00003210: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f gromacs_mdspan...\n-00003370: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-000033e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000033f0: 5f74 6162 6c65 7326 2334 353b 2667 743b _tables->\n-00003400: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00003410: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-00003420: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00003430: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00003440: 6662 6622 2064 3d22 4d31 3630 362e 3635 fbf\" d=\"M1606.65\n-00003450: 2c2d 3534 302e 3435 4331 3631 322e 3935 ,-540.45C1612.95\n-00003460: 2c2d 3534 322e 3233 2031 3631 392e 3732 ,-542.23 1619.72\n-00003470: 2c2d 3534 342e 3132 2031 3632 362c 2d35 ,-544.12 1626,-5\n-00003480: 3435 2e38 3320 3137 3235 2e30 362c 2d35 45.83 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2220 6379 3d22 2d39 3732 2e34 3922 2072 \" cy=\"-972.49\" r\n+00002b70: 783d 2234 372e 3235 2220 7279 3d22 3133 x=\"47.25\" ry=\"13\n+00002b80: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+00002b90: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+00002ba0: 2220 783d 2239 3331 2220 793d 222d 3936 \" x=\"931\" y=\"-96\n+00002bb0: 392e 3939 2220 666f 6e74 2d66 616d 696c 9.99\" font-famil\n+00002bc0: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+00002bd0: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d t-size=\"10.00\">m\n+00002be0: 6472 756e 7574 696c 6974 793c 2f74 6578 drunutility</tex\n+00002bf0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+00002c00: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00002c10: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n+00002c20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00002c30: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+00002c40: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n+00002c50: 2265 6467 6536 2220 636c 6173 733d 2265 \"edge6\" class=\"e\n+00002c60: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00002c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00002c80: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+00002c90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00002ca0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n+00002cb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00002cc0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00002cd0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00002ce0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00002cf0: 224d 3933 312c 2d31 3032 312e 3734 4339 \"M931,-1021.74C9\n+00002d00: 3331 2c2d 3130 3134 2e34 2039 3331 2c2d 31,-1014.4 931,-\n+00002d10: 3130 3034 2e39 3120 3933 312c 2d39 3936 1004.91 931,-996\n+00002d20: 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .3\"/>.<polygon f\n+00002d30: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00002d40: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00002d50: 6f69 6e74 733d 2239 3334 2e35 2c2d 3939 oints=\"934.5,-99\n+00002d60: 362e 3038 2039 3331 2c2d 3938 362e 3038 6.08 931,-986.08\n+00002d70: 2039 3237 2e35 2c2d 3939 362e 3038 2039 927.5,-996.08 9\n+00002d80: 3334 2e35 2c2d 3939 362e 3038 222f 3e0a 34.5,-996.08\"/>.\n+00002d90: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00002da0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00002db0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00002dc0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00002dd0: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069 andline -->.<g i\n+00002de0: 643d 2265 6467 6531 2220 636c 6173 733d d=\"edge1\" class=\n+00002df0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00002e00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002e10: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+00002e20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00002e30: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n+00002e40: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00002e50: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+00002e60: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+00002e70: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00002e80: 4d39 3533 2e35 372c 2d31 3032 372e 3936 M953.57,-1027.96\n+00002e90: 4331 3032 322e 392c 2d31 3030 382e 3333 C1022.9,-1008.33\n+00002ea0: 2031 3233 332e 3532 2c2d 3934 382e 3720 1233.52,-948.7 \n+00002eb0: 3133 3234 2e39 322c 2d39 3232 2e38 3222 1324.92,-922.82\"\n+00002ec0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00002ed0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n+00002ee0: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n+00002ef0: 3133 3236 2e30 312c 2d39 3236 2e31 3420 1326.01,-926.14 \n+00002f00: 3133 3334 2e36 382c 2d39 3230 2e30 3520 1334.68,-920.05 \n+00002f10: 3133 3234 2e31 2c2d 3931 392e 3431 2031 1324.1,-919.41 1\n+00002f20: 3332 362e 3031 2c2d 3932 362e 3134 222f 326.01,-926.14\"/\n+00002f30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00002f40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00002f50: 6474 7970 6573 202d 2d3e 0a3c 6720 6964 dtypes -->.<g id\n+00002f60: 3d22 6e6f 6465 3132 2220 636c 6173 733d =\"node12\" class=\n+00002f70: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+00002f80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002f90: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+00002fa0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00002fb0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00002fc0: 3d22 626c 6163 6b22 2063 783d 2238 3537 =\"black\" cx=\"857\n+00002fd0: 2220 6379 3d22 2d37 3231 2e30 3122 2072 \" cy=\"-721.01\" r\n+00002fe0: 783d 2233 382e 3337 2220 7279 3d22 3133 x=\"38.37\" ry=\"13\n+00002ff0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+00003000: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+00003010: 2220 783d 2238 3537 2220 793d 222d 3731 \" x=\"857\" y=\"-71\n+00003020: 382e 3531 2220 666f 6e74 2d66 616d 696c 8.51\" font-famil\n+00003030: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+00003040: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d t-size=\"10.00\">m\n+00003050: 6474 7970 6573 3c2f 7465 7874 3e0a 3c2f dtypes</text>.</\n+00003060: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00003070: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n+00003080: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00003090: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+000030a0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+000030b0: 6537 2220 636c 6173 733d 2265 6467 6522 e7\" class=\"edge\"\n+000030c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000030d0: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+000030e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000030f0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00003100: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es....\n+00003230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n+000033c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n+000033d0: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n+000033e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000033f0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_grom\n+000035c0: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n+000035d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000035e0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio....\n+00003700: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+00003900: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+00003910: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00003920: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00003930: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......\n+00003af0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00003b00: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00003b10: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00003b20: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00003b30: 3d22 626c 6163 6b22 2063 783d 2237 3335 =\"black\" cx=\"735\n+00003b40: 2220 6379 3d22 2d39 322e 3331 2220 7278 \" cy=\"-92.31\" rx\n+00003b50: 3d22 3331 2e36 3422 2072 793d 2231 332e =\"31.64\" ry=\"13.\n+00003b60: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.<text text\n+00003b70: 2d61 6e63 686f 723d 226d 6964 646c 6522 -anchor=\"middle\"\n+00003b80: 2078 3d22 3733 3522 2079 3d22 2d38 392e x=\"735\" y=\"-89.\n+00003b90: 3831 2220 666f 6e74 2d66 616d 696c 793d 81\" font-family=\n+00003ba0: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n+00003bb0: 7369 7a65 3d22 3130 2e30 3022 3e67 6d78 size=\"10.00\">gmx\n+00003bc0: 6c69 623c 2f74 6578 743e 0a3c 2f67 3e0a lib</text>.</g>.\n 00003bd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00003be0: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n-00003bf0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00003c00: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-00003c10: 3e0a 3c67 2069 643d 2265 6467 6532 3122 >.<g id=\"edge21\"\n-00003c20: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00003c30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00003c40: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n-00003c50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00003c60: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n-00003c70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00003c80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d 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696f 3c2f 7469 omacs_fileio</ti\n-00003e60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00003e70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00003e80: 6266 6266 6266 2220 643d 224d 3236 312e bfbfbf\" d=\"M261.\n-00003e90: 3633 2c2d 3239 342e 3335 4332 3531 2e38 63,-294.35C251.8\n-00003ea0: 322c 2d33 3437 2e31 3120 3231 362e 3233 2,-347.11 216.23\n-00003eb0: 2c2d 3535 322e 3431 2032 3435 2c2d 3630 ,-552.41 245,-60\n-00003ec0: 382e 3720 3236 362e 3731 2c2d 3635 312e 8.7 266.71,-651.\n-00003ed0: 3138 2032 3839 2e36 392c 2d36 3439 2e35 18 289.69,-649.5\n-00003ee0: 3420 3333 322c 2d36 3731 2e35 3720 3438 4 332,-671.57 48\n-00003ef0: 332e 3037 2c2d 3735 302e 3233 2035 3237 3.07,-750.23 527\n-00003f00: 2e34 332c 2d37 3631 2e38 2036 3934 2c2d .43,-761.8 694,-\n-00003f10: 3739 372e 3331 2038 3838 2e39 372c 2d38 797.31 888.97,-8\n-00003f20: 3338 2e38 3820 3131 3239 2e31 352c 2d38 38.88 1129.15,-8\n-00003f30: 3434 2e39 3720 3132 3139 2e39 322c 2d38 44.97 1219.92,-8\n-00003f40: 3435 2e37 3222 2f3e 0a3c 706f 6c79 676f 45.72\"/>.<polygo\n-00003f50: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-00003f60: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00003f70: 2220 706f 696e 7473 3d22 3132 3139 2e39 \" points=\"1219.9\n-00003f80: 362c 2d38 3439 2e32 3220 3132 3239 2e39 6,-849.22 1229.9\n-00003f90: 382c 2d38 3435 2e37 3820 3132 3230 2e30 8,-845.78 1220.0\n-00003fa0: 312c 2d38 3432 2e32 3220 3132 3139 2e39 1,-842.22 1219.9\n-00003fb0: 362c 2d38 3439 2e32 3222 2f3e 0a3c 2f67 6,-849.22\"/>.</g\n-00003fc0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00003fd0: 635f 6772 6f6d 6163 735f 7377 6170 2623 c_gromacs_swap&#\n-00003fe0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00003ff0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00004000: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00004010: 3138 2220 636c 6173 733d 2265 6467 6522 18\" class=\"edge\"\n-00004020: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00004030: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n-00004040: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00004050: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-00004060: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec..\n-00004180: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-000041f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00004200: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-00004210: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00004220: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-00004230: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00004240: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00004250: 2220 643d 224d 3236 392e 3133 2c2d 3236 \" d=\"M269.13,-26\n-00004260: 372e 3332 4332 3831 2e32 372c 2d32 3339 7.32C281.27,-239\n-00004270: 2e33 3320 3331 342e 3633 2c2d 3137 322e .33 314.63,-172.\n-00004280: 3033 2033 3636 2c2d 3134 312e 3734 2034 03 366,-141.74 4\n-00004290: 3230 2e37 2c2d 3130 392e 3439 2036 3038 20.7,-109.49 608\n-000042a0: 2e39 332c 2d39 382e 3231 2036 3933 2e34 .93,-98.21 693.4\n-000042b0: 2c2d 3934 2e37 3122 2f3e 0a3c 706f 6c79 ,-94.71\"/>.....module\n-000043a0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-000043b0: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774 mandline->\n-000043c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000043d0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n-000043e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000043f0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00004400: 6266 6266 2220 643d 224d 3133 3437 2e31 bfbf\" d=\"M1347.1\n-00004410: 322c 2d38 3937 2e31 3743 3133 3238 2e39 2,-897.17C1328.9\n-00004420: 392c 2d38 3837 2e32 3220 3133 3032 2e36 9,-887.22 1302.6\n-00004430: 342c 2d38 3732 2e37 3820 3132 3833 2e31 4,-872.78 1283.1\n-00004440: 322c 2d38 3632 2e30 3722 2f3e 0a3c 706f 2,-862.07\"/>.<po\n-00004450: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00004460: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00004470: 6266 6266 2220 706f 696e 7473 3d22 3132 bfbf\" points=\"12\n-00004480: 3834 2e36 2c2d 3835 382e 3839 2031 3237 84.6,-858.89 127\n-00004490: 342e 3135 2c2d 3835 372e 3135 2031 3238 4.15,-857.15 128\n-000044a0: 312e 3233 2c2d 3836 352e 3033 2031 3238 1.23,-865.03 128\n-000044b0: 342e 362c 2d38 3538 2e38 3922 2f3e 0a3c 4.6,-858.89\"/>.<\n-000044c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-000044d0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n-000044e0: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 226e ons -->.<g id=\"n\n-000044f0: 6f64 6533 3322 2063 6c61 7373 3d22 6e6f ode33\" class=\"no\n-00004500: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n-00004510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-00004520: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions.<\n-00004530: 6720 6964 3d22 615f 6e6f 6465 3333 223e g id=\"a_node33\">\n-00004540: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..options.\n-00004650: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-00004660: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00004670: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00004680: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n-00004690: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-000046a0: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->..mo\n-000046d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000046e0: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n-000046f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00004700: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n-00004710: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00004720: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00004730: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00004740: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00004750: 2220 643d 224d 3134 3130 2e38 342c 2d39 \" d=\"M1410.84,-9\n-00004760: 3031 2e37 3943 3134 3233 2e31 352c 2d38 01.79C1423.15,-8\n-00004770: 3939 2e39 2031 3433 362e 362c 2d38 3937 99.9 1436.6,-897\n-00004780: 2e38 3920 3134 3439 2c2d 3839 362e 3138 .89 1449,-896.18\n-00004790: 2031 3632 312e 3435 2c2d 3837 322e 3339 1621.45,-872.39\n-000047a0: 2031 3730 342e 3539 2c2d 3932 302e 3039 1704.59,-920.09\n-000047b0: 2031 3832 382c 2d37 3937 2e33 3120 3139 1828,-797.31 19\n-000047c0: 3931 2e34 312c 2d36 3334 2e37 3420 3230 91.41,-634.74 20\n-000047d0: 3130 2e36 342c 2d33 3237 2e39 3520 3230 10.64,-327.95 20\n-000047e0: 3132 2e37 372c 2d32 3431 2e39 3622 2f3e 12.77,-241.96\"/>\n-000047f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00004800: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00004810: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00004820: 3d22 3230 3136 2e32 372c 2d32 3431 2e38 =\"2016.27,-241.8\n-00004830: 3120 3230 3132 2e39 372c 2d32 3331 2e37 1 2012.97,-231.7\n-00004840: 3520 3230 3039 2e32 372c 2d32 3431 2e36 5 2009.27,-241.6\n-00004850: 3820 3230 3136 2e32 372c 2d32 3431 2e38 8 2016.27,-241.8\n-00004860: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n-00004870: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00004880: 735f 6f6e 6c69 6e65 6865 6c70 202d 2d3e s_onlinehelp -->\n-00004890: 0a3c 6720 6964 3d22 6e6f 6465 3335 2220 .<g id=\"node35\" \n-000048a0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n-000048b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-000048c0: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n-000048d0: 6c70 3c2f 7469 746c 653e 0a3c 6720 6964 lp...onlinehelp...<\n-00004a10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-00004c30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00004c40: 5f61 6e61 6c79 7369 7364 6174 613c 2f74 _analysisdata</t\n-00004c50: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n-00004c60: 6f64 6537 223e 3c61 2078 6c69 6e6b 3a68 ode7\"><a xlink:h\n-00004c70: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-00004c80: 6c65 5f5f 616e 616c 7973 6973 6461 7461 le__analysisdata\n-00004c90: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n-00004ca0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n-00004cb0: 653d 2261 6e61 6c79 7369 7364 6174 6122 e=\"analysisdata\"\n-00004cc0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00004cd0: 2223 6666 6363 6363 2220 7374 726f 6b65 \"#ffcccc\" stroke\n-00004ce0: 3d22 626c 6163 6b22 2063 783d 2231 3632 =\"black\" cx=\"162\n-00004cf0: 3622 2063 793d 222d 3930 392e 3632 2220 6\" cy=\"-909.62\" \n-00004d00: 7278 3d22 3530 2e34 3122 2072 793d 2231 rx=\"50.41\" ry=\"1\n-00004d10: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-00004d20: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-00004d30: 6522 2078 3d22 3136 3236 2220 793d 222d e\" x=\"1626\" y=\"-\n-00004d40: 3930 372e 3132 2220 666f 6e74 2d66 616d 907.12\" font-fam\n-00004d50: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00004d60: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00004d70: 3e61 6e61 6c79 7369 7364 6174 613c 2f74 >analysisdata</t\n-00004d80: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n-00004d90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00004da0: 7372 635f 6772 6f6d 6163 735f 616e 616c src_gromacs_anal\n-00004db0: 7973 6973 6461 7461 2623 3435 3b26 6774 ysisdata->\n-00004dc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00004dd0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-00004de0: 6720 6964 3d22 6564 6765 3237 2220 636c g id=\"edge27\" cl\n-00004df0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00004e00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00004e10: 6f6d 6163 735f 616e 616c 7973 6973 6461 omacs_analysisda\n-00004e20: 7461 2623 3435 3b26 6774 3b6d 6f64 756c ta->modul\n-00004e30: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00004e40: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......mod\n-00004fb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00004fc0: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-00004fd0: 6973 3c2f 7469 746c 653e 0a3c 6720 6964 is...trajectoryanal\n-00005110: 7973 6973 3c2f 7465 7874 3e0a 3c2f 613e ysis.\n-00005120: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 ...\n-00005180: 0a3c 6720 6964 3d22 6564 6765 3239 2220 ..module_src_\n-000051b0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-000051c0: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n-000051d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000051e0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-000051f0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......mo\n-00005370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00005380: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n-00005390: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-000053a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-000053b0: 6e61 6c79 7369 7364 6174 613c 2f74 6974 nalysisdata</tit\n-000053c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000053d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000053e0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-000053f0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00005400: 224d 3136 3935 2e38 312c 2d39 3539 2e34 \"M1695.81,-959.4\n-00005410: 3643 3136 3833 2e31 2c2d 3935 302e 3537 6C1683.1,-950.57\n-00005420: 2031 3636 352e 3538 2c2d 3933 382e 3331 1665.58,-938.31\n-00005430: 2031 3635 312e 3238 2c2d 3932 382e 3322 1651.28,-928.3\"\n-00005440: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00005450: 3d22 2332 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7472 ll=\"#bfbfbf\" str\n-00005540: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00005550: 3132 3735 2220 6379 3d22 2d31 3033 352e 1275\" cy=\"-1035.\n-00005560: 3336 2220 7278 3d22 3335 2e32 3122 2072 36\" rx=\"35.21\" r\n-00005570: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00005580: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00005590: 6964 646c 6522 2078 3d22 3132 3735 2220 iddle\" x=\"1275\" \n-000055a0: 793d 222d 3130 3332 2e38 3622 2066 6f6e y=\"-1032.86\" fon\n-000055b0: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n-000055c0: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n-000055d0: 302e 3030 223e 676d 7861 6e61 3c2f 7465 0.00\">gmxana</te\n-000055e0: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f xt>.</g>.<!-- mo\n+00003be0: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n+00003bf0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00003c00: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib 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6964 3d22 6564 6765 3822 2063 6c61 g id=\"edge8\" cla\n+00004200: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00004210: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00004220: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00004230: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00004240: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00004250: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio.....\n+00004620: 3c67 2069 643d 2265 6467 6531 3322 2063 .module_src_g\n+00004650: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00004660: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+00004670: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+00004680: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n+00004690: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+000048c0: 6163 735f 6d64 7275 6e3c 2f74 6974 6c65 acs_mdrun.\n+00004930: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..md\n+000049e0: 7275 6e3c 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3c2f 7469 romacs_mdlib......\n+00004eb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004ec0: 6373 5f74 6162 6c65 733c 2f74 6974 6c65 cs_tables</title\n+00004ed0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6535 >.<g id=\"a_node5\n+00004ee0: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d \"><a xlink:href=\n+00004ef0: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f \"group__module__\n+00004f00: 7461 626c 6573 2e78 6874 6d6c 2220 7461 tables.xhtml\" ta\n+00004f10: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+00004f20: 6b3a 7469 746c 653d 2274 6162 6c65 7322 k:title=\"tables\"\n+00004f30: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00004f40: 2223 6666 6534 6363 2220 7374 726f 6b65 \"#ffe4cc\" stroke\n+00004f50: 3d22 626c 6163 6b22 2063 783d 2231 3538 =\"black\" cx=\"158\n+00004f60: 3222 2063 793d 222d 3533 322e 3422 2072 2\" cy=\"-532.4\" r\n+00004f70: 783d 2233 302e 3331 2220 7279 3d22 3133 x=\"30.31\" ry=\"13\n+00004f80: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 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2220 636c g id=\"node43\" cl\n-00006040: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-00006060: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469 omacs_random...random...\n-000061a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00006430: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00006440: 6f72 6469 6e61 7465 696f 3c2f 7469 746c ordinateio</titl\n-00006450: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n-00006460: 3435 223e 3c61 2078 6c69 6e6b 3a68 7265 45\"><a xlink:hre\n-00006470: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n-00006480: 5f5f 636f 6f72 6469 6e61 7465 696f 2e78 __coordinateio.x\n-00006490: 6874 6d6c 2220 7461 7267 6574 3d22 5f74 html\" target=\"_t\n-000064a0: 6f70 2220 786c 696e 6b3a 7469 746c 653d op\" xlink:title=\n-000064b0: 2263 6f6f 7264 696e 6174 6569 6f22 3e0a \"coordinateio\">.\n-000064c0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n-000064d0: 6666 6363 6363 2220 7374 726f 6b65 3d22 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toryanalysis-\n-000065c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000065d0: 6772 6f6d 6163 735f 636f 6f72 6469 6e61 gromacs_coordina\n-000065e0: 7465 696f 202d 2d3e 0a3c 6720 6964 3d22 teio -->.<g id=\"\n-000065f0: 6564 6765 3334 2220 636c 6173 733d 2265 edge34\" class=\"e\n-00006600: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00006610: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00006620: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-00006630: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n-00006640: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00006650: 6f72 6469 6e61 7465 696f 3c2f 7469 746c ordinateio</titl\n-00006660: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00006670: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00006680: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00006690: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000066a0: 4d31 3731 392e 3232 2c2d 3935 382e 3837 M1719.22,-958.87\n-000066b0: 4331 3732 332c 2d39 3531 2e32 2031 3732 C1723,-951.2 172\n-000066c0: 372e 3933 2c2d 3934 312e 3220 3137 3332 7.93,-941.2 1732\n-000066d0: 2e33 322c 2d39 3332 2e32 3922 2f3e 0a3c .32,-932.29\"/>.<\n-000066e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000066f0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00006700: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00006710: 3137 3335 2e35 312c 2d39 3333 2e37 3320 1735.51,-933.73 \n-00006720: 3137 3336 2e37 392c 2d39 3233 2e32 3120 1736.79,-923.21 \n-00006730: 3137 3239 2e32 332c 2d39 3330 2e36 3320 1729.23,-930.63 \n-00006740: 3137 3335 2e35 312c 2d39 3333 2e37 3322 1735.51,-933.73\"\n-00006750: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00006760: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00006770: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00006780: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n-00006790: 3922 2063 6c61 7373 3d22 6e6f 6465 223e 9\" class=\"node\">\n-000067a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000067b0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-000067c0: 6172 7369 6d75 6c61 746f 723c 2f74 6974 arsimulator</tit\n-000067d0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-000067e0: 6539 223e 3c61 2078 6c69 6e6b 3a68 7265 e9\"><a xlink:hre\n-000067f0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n-00006800: 5f5f 6d6f 6475 6c61 7273 696d 756c 6174 __modularsimulat\n-00006810: 6f72 2e78 6874 6d6c 2220 7461 7267 6574 or.xhtml\" target\n-00006820: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n-00006830: 746c 653d 226d 6f64 756c 6172 7369 6d75 tle=\"modularsimu\n-00006840: 6c61 746f 7222 3e0a 3c65 6c6c 6970 7365 lator\">.<ellipse\n-00006850: 2066 696c 6c3d 2223 6535 6363 6666 2220 fill=\"#e5ccff\" \n-00006860: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-00006870: 783d 2231 3230 3522 2063 793d 222d 3238 x=\"1205\" cy=\"-28\n-00006880: 302e 3932 2220 7278 3d22 3635 2e31 3122 0.92\" rx=\"65.11\"\n-00006890: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n-000068a0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n-000068b0: 226d 6964 646c 6522 2078 3d22 3132 3035 \"middle\" x=\"1205\n-000068c0: 2220 793d 222d 3237 382e 3432 2220 666f \" y=\"-278.42\" fo\n-000068d0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-000068e0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-000068f0: 3130 2e30 3022 3e6d 6f64 756c 6172 7369 10.00\">modularsi\n-00006900: 6d75 6c61 746f 723c 2f74 6578 743e 0a3c mulator</text>.<\n-00006910: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.</g>.</g>.<!\n-00006920: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00006930: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00006940: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00006950: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00006960: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n-00006970: 2d3e 0a3c 6720 6964 3d22 6564 6765 3438 ->.<g id=\"edge48\n-00006980: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00006990: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000069a0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n-000069b0: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n-000069c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000069d0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-000069e0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......m\n-00006bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00006bc0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00006bd0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00006be0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00006bf0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n-00006c00: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00006c10: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-00006c20: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-00006c30: 7261 793d 2235 2c32 2220 643d 224d 3132 ray=\"5,2\" d=\"M12\n-00006c40: 3136 2e35 382c 2d32 3934 2e35 3443 3132 16.58,-294.54C12\n-00006c50: 3234 2e39 382c 2d33 3034 2e30 3120 3132 24.98,-304.01 12\n-00006c60: 3336 2e33 352c 2d33 3137 2e35 3120 3132 36.35,-317.51 12\n-00006c70: 3435 2c2d 3333 302e 3335 2031 3237 362e 45,-330.35 1276.\n-00006c80: 3037 2c2d 3337 362e 3435 2031 3436 392e 07,-376.45 1469.\n-00006c90: 3336 2c2d 3731 362e 3535 2031 3438 332c 36,-716.55 1483,\n-00006ca0: 2d37 3730 2e34 3420 3134 3933 2e31 362c -770.44 1493.16,\n-00006cb0: 2d38 3130 2e35 3820 3134 3835 2e35 342c -810.58 1485.54,\n-00006cc0: 2d38 3239 2e32 3720 3134 3538 2c2d 3836 -829.27 1458,-86\n-00006cd0: 302e 3138 2031 3434 342e 3436 2c2d 3837 0.18 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6573 202d 2d3e 0a3c 6720 6964 dtypes -->.<g id\n-00006dd0: 3d22 6564 6765 3338 2220 636c 6173 733d =\"edge38\" class=\n-00006de0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00006df0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00006e00: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00006e10: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00006e20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00006e30: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......mo\n-00006fd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00006fe0: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n-00006ff0: 6720 6964 3d22 615f 6e6f 6465 3139 223e g id=\"a_node19\">\n-00007000: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..nbnxm\n-00007100: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......module_\n-00007190: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-000071a0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-000071b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000071c0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n-000071d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000071e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000071f0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00007200: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00007210: 643d 224d 3131 3638 2e32 372c 2d32 3932 d=\"M1168.27,-292\n-00007220: 2e30 3343 3131 3337 2e37 332c 2d33 3030 .03C1137.73,-300\n-00007230: 2e38 3820 3130 3933 2e33 392c 2d33 3134 .88 1093.39,-314\n-00007240: 2e37 3220 3130 3536 2c2d 3333 302e 3335 .72 1056,-330.35\n-00007250: 2039 3634 2e38 2c2d 3336 382e 3437 2038 964.8,-368.47 8\n-00007260: 3632 2e34 322c 2d34 3235 2e38 2038 3135 62.42,-425.8 815\n-00007270: 2e33 312c 2d34 3533 2e30 3722 2f3e 0a3c .31,-453.07\"/>.<\n-00007280: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00007290: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-000072a0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000072b0: 3831 332e 3533 2c2d 3435 302e 3035 2038 813.53,-450.05 8\n-000072c0: 3036 2e36 342c 2d34 3538 2e31 2038 3137 06.64,-458.1 817\n-000072d0: 2e30 352c 2d34 3536 2e31 2038 3133 2e35 .05,-456.1 813.5\n-000072e0: 332c 2d34 3530 2e30 3522 2f3e 0a3c 2f67 3,-450.05\"/>.</g\n-000072f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00007300: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n-00007310: 6720 2d2d 3e0a 3c67 2069 643d 226e 6f64 g -->.<g id=\"nod\n-00007320: 6532 3222 2063 6c61 7373 3d22 6e6f 6465 e22\" class=\"node\n-00007330: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00007340: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n-00007350: 6c69 6e67 3c2f 7469 746c 653e 0a3c 656c ling..pull\n-00007410: 696e 673c 2f74 6578 743e 0a3c 2f67 3e0a ing..\n-00007420: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-00007470: 3c67 2069 643d 2265 6467 6533 3922 2063 .module_src_g\n-000074a0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000074b0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-000074c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000074d0: 6373 5f70 756c 6c69 6e67 3c2f 7469 746c cs_pulling......modul\n-00007650: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-00007660: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-00007670: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00007680: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-00007690: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000076a0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000076b0: 3d22 7265 6422 2064 3d22 4d31 3230 362e =\"red\" d=\"M1206.\n-000076c0: 3731 2c2d 3239 342e 3339 4331 3231 322e 71,-294.39C1212.\n-000076d0: 3533 2c2d 3334 322e 3437 2031 3232 362e 53,-342.47 1226.\n-000076e0: 3633 2c2d 3531 372e 3537 2031 3133 382c 63,-517.57 1138,\n-000076f0: 2d36 3038 2e37 2031 3131 362e 3231 2c2d -608.7 1116.21,-\n-00007700: 3633 312e 3120 3130 3832 2e35 352c 2d36 631.1 1082.55,-6\n-00007710: 3433 2e35 3620 3130 3536 2e39 322c 2d36 43.56 1056.92,-6\n-00007720: 3530 2e32 3122 2f3e 0a3c 706f 6c79 676f 50.21\"/>.<polygo\n-00007730: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n-00007740: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n-00007750: 3d22 3130 3536 2e30 382c 2d36 3436 2e38 =\"1056.08,-646.8\n-00007760: 3120 3130 3437 2e31 382c 2d36 3532 2e35 1 1047.18,-652.5\n-00007770: 3620 3130 3537 2e37 332c 2d36 3533 2e36 6 1057.73,-653.6\n-00007780: 3120 3130 3536 2e30 382c 2d36 3436 2e38 1 1056.08,-646.8\n-00007790: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n-000077a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000077b0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-000077c0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-000077d0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-000077e0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n-000077f0: 6564 6765 3435 2220 636c 6173 733d 2265 edge45\" class=\"e\n-00007800: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00007810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007820: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00007830: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00007840: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00007850: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io....<\n-000079c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000079d0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000079e0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-000079f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00007a00: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->..module_src_gro\n-00007a40: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00007a50: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-00007a60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00007a70: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-00007a80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n-00007bf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00007c00: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-00007c10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00007c20: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00007c30: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......modul\n-00007d90: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-00007da0: 736b 6173 7369 676e 6d65 6e74 3c2f 7469 skassignment</ti\n-00007db0: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n-00007dc0: 6465 3334 223e 3c61 2078 6c69 6e6b 3a68 de34\"><a xlink:h\n-00007dd0: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-00007de0: 6c65 5f5f 7461 736b 6173 7369 676e 6d65 le__taskassignme\n-00007df0: 6e74 2e78 6874 6d6c 2220 7461 7267 6574 nt.xhtml\" target\n-00007e00: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n-00007e10: 746c 653d 2274 6173 6b61 7373 6967 6e6d tle=\"taskassignm\n-00007e20: 656e 7422 3e0a 3c65 6c6c 6970 7365 2066 ent\">.<ellipse f\n-00007e30: 696c 6c3d 2223 6535 6363 6666 2220 7374 ill=\"#e5ccff\" st\n-00007e40: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n-00007e50: 2234 3331 2220 6379 3d22 2d32 3138 2e30 \"431\" cy=\"-218.0\n-00007e60: 3522 2072 783d 2236 302e 3632 2220 7279 5\" rx=\"60.62\" ry\n-00007e70: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-00007e80: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-00007e90: 6464 6c65 2220 783d 2234 3331 2220 793d ddle\" x=\"431\" y=\n-00007ea0: 222d 3231 352e 3535 2220 666f 6e74 2d66 \"-215.55\" font-f\n-00007eb0: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-00007ec0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-00007ed0: 3022 3e74 6173 6b61 7373 6967 6e6d 656e 0\">taskassignmen\n-00007ee0: 743c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f t</text>.</a>.</\n-00007ef0: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n-00007f00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007f10: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00007f20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00007f30: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-00007f40: 6173 7369 676e 6d65 6e74 202d 2d3e 0a3c assignment -->.<\n-00007f50: 6720 6964 3d22 6564 6765 3439 2220 636c g id=\"edge49\" cl\n-00007f60: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00007f70: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00007f80: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00007f90: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00007fa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007fb0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n-00007fc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n+00005630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00005640: 7377 6170 3c2f 7469 746c 653e 0a3c 6720 swap...swap...\n+00005770: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n+000057e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000057f0: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n+00005800: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005810: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+00005820: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00005830: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00005840: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00005850: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00005860: 643d 224d 3235 392e 3137 2c2d 3239 342e d=\"M259.17,-294.\n+00005870: 3439 4332 3535 2e36 312c 2d33 3034 2e31 49C255.61,-304.1\n+00005880: 3620 3235 302e 3931 2c2d 3331 372e 3934 6 250.91,-317.94\n+00005890: 2032 3438 2c2d 3333 302e 3335 2032 3431 248,-330.35 241\n+000058a0: 2e35 352c 2d33 3537 2e38 3320 3234 322e .55,-357.83 242.\n+000058b0: 3334 2c2d 3336 352e 3139 2032 3339 2c2d 34,-365.19 239,-\n+000058c0: 3339 332e 3232 2032 3138 2e34 362c 2d35 393.22 218.46,-5\n+000058d0: 3635 2e34 3620 3231 372c 2d36 3039 2e34 65.46 217,-609.4\n+000058e0: 3220 3231 372c 2d37 3832 2e38 3820 3231 2 217,-782.88 21\n+000058f0: 372c 2d38 3437 2e37 3520 3231 372c 2d38 7,-847.75 217,-8\n+00005900: 3437 2e37 3520 3231 372c 2d38 3437 2e37 47.75 217,-847.7\n+00005910: 3520 3231 372c 2d38 3839 2e31 3920 3233 5 217,-889.19 23\n+00005920: 352e 3736 2c2d 3930 322e 3934 2032 3732 5.76,-902.94 272\n+00005930: 2c2d 3932 332e 3035 2033 3233 2e39 322c ,-923.05 323.92,\n+00005940: 2d39 3531 2e38 3620 3732 322e 3836 2c2d -951.86 722.86,-\n+00005950: 3936 352e 3735 2038 3733 2e35 392c 2d39 965.75 873.59,-9\n+00005960: 3730 2e30 3122 2f3e 0a3c 706f 6c79 676f 70.01\"/>.<polygo\n+00005970: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+00005980: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00005990: 2220 706f 696e 7473 3d22 3837 332e 3931 \" points=\"873.91\n+000059a0: 2c2d 3937 332e 3532 2038 3834 2c2d 3937 ,-973.52 884,-97\n+000059b0: 302e 3320 3837 342e 312c 2d39 3636 2e35 0.3 874.1,-966.5\n+000059c0: 3220 3837 332e 3931 2c2d 3937 332e 3532 2 873.91,-973.52\n+000059d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+000059e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000059f0: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n+00005a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005a10: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n+00005a20: 6964 3d22 6564 6765 3233 2220 636c 6173 id=\"edge23\" clas\n+00005a30: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00005a40: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00005a50: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n+00005a60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00005a70: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+00005a80: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00005a90: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00005aa0: 6662 6662 6622 2064 3d22 4d32 3633 2e37 fbfbf\" d=\"M263.7\n+00005ab0: 342c 2d32 3934 2e34 3443 3236 332e 3431 4,-294.44C263.41\n+00005ac0: 2c2d 3330 392e 3339 2032 3632 2e37 382c ,-309.39 262.78,\n+00005ad0: 2d33 3335 2e31 3320 3236 322c 2d33 3537 -335.13 262,-357\n+00005ae0: 2e32 3220 3235 382e 3435 2c2d 3435 372e .22 258.45,-457.\n+00005af0: 3038 2032 3534 2e32 322c 2d34 3831 2e39 08 254.22,-481.9\n+00005b00: 3320 3235 322c 2d35 3831 2e38 3320 3235 3 252,-581.83 25\n+00005b10: 312e 3733 2c2d 3539 332e 3737 2032 3434 1.73,-593.77 244\n+00005b20: 2e39 332c 2d35 3939 2e30 3720 3235 322c .93,-599.07 252,\n+00005b30: 2d36 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7377 6170 src_gromacs_swap\n+00005c20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00005c30: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00005c40: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+00005c50: 6532 3122 2063 6c61 7373 3d22 6564 6765 e21\" class=\"edge\n+00005c60: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00005c70: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n+00005c80: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+00005c90: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00005ca0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib....\n+00005df0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+00006060: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006070: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+00006080: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006090: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+000060a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 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class\n+00006530: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00006540: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006550: 6373 5f6f 7074 696f 6e73 3c2f 7469 746c cs_options</titl\n+00006560: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+00006570: 3334 223e 3c61 2078 6c69 6e6b 3a68 7265 34\"><a xlink:hre\n+00006580: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+00006590: 5f5f 6f70 7469 6f6e 732e 7868 746d 6c22 __options.xhtml\"\n+000065a0: 2074 6172 6765 743d 225f 746f 7022 2078 target=\"_top\" x\n+000065b0: 6c69 6e6b 3a74 6974 6c65 3d22 6f70 7469 link:title=\"opti\n+000065c0: 6f6e 7322 3e0a 3c65 6c6c 6970 7365 2066 ons\">.<ellipse f\n+000065d0: 696c 6c3d 2223 6666 6534 6363 2220 7374 ill=\"#ffe4cc\" st\n+000065e0: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+000065f0: 2232 3031 3322 2063 793d 222d 3231 382e \"2013\" cy=\"-218.\n+00006600: 3035 2220 7278 3d22 3333 2e38 3822 2072 05\" rx=\"33.88\" r\n+00006610: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00006620: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00006630: 6964 646c 6522 2078 3d22 3230 3133 2220 iddle\" x=\"2013\" \n+00006640: 793d 222d 3231 352e 3535 2220 666f 6e74 y=\"-215.55\" font\n+00006650: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00006660: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00006670: 2e30 3022 3e6f 7074 696f 6e73 3c2f 7465 .00\">options</te\n+00006680: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f xt>.</a>.</g>.</\n+00006690: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000066a0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+000066b0: 6e64 6c69 6e65 2623 3435 3b26 6774 3b6d ndline->m\n+000066c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000066d0: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 s_options -->.<g\n+000066e0: 2069 643d 2265 6467 6532 3422 2063 6c61 id=\"edge24\" cla\n+000066f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00006700: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00006710: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+00006720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00006730: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+00006740: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons......module_\n+00006970: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00006980: 616e 646c 696e 6526 2334 353b 2667 743b andline->\n+00006990: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000069a0: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n+000069b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000069c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000069d0: 2332 3832 6663 6322 2064 3d22 4d31 3431 #282fcc\" d=\"M141\n+000069e0: 302e 3339 2c2d 3930 312e 3539 4331 3432 0.39,-901.59C142\n+000069f0: 322e 3831 2c2d 3839 392e 3637 2031 3433 2.81,-899.67 143\n+00006a00: 362e 3433 2c2d 3839 372e 3720 3134 3439 6.43,-897.7 1449\n+00006a10: 2c2d 3839 362e 3138 2031 3534 332e 3632 ,-896.18 1543.62\n+00006a20: 2c2d 3838 342e 3731 2031 3832 352e 3439 ,-884.71 1825.49\n+00006a30: 2c2d 3836 312e 3331 2031 3934 312e 3338 ,-861.31 1941.38\n+00006a40: 2c2d 3835 312e 3835 222f 3e0a 3c70 6f6c ,-851.85\"/>.<pol\n+00006a50: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00006a60: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00006a70: 6663 6322 2070 6f69 6e74 733d 2231 3934 fcc\" points=\"194\n+00006a80: 312e 3733 2c2d 3835 352e 3333 2031 3935 1.73,-855.33 195\n+00006a90: 312e 3431 2c2d 3835 312e 3033 2031 3934 1.41,-851.03 194\n+00006aa0: 312e 3136 2c2d 3834 382e 3335 2031 3934 1.16,-848.35 194\n+00006ab0: 312e 3733 2c2d 3835 352e 3333 222f 3e0a 1.73,-855.33\"/>.\n+00006ac0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00006ad0: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61 _src_gromacs_ana\n+00006ae0: 6c79 7369 7364 6174 6120 2d2d 3e0a 3c67 lysisdata -->.<g\n+00006af0: 2069 643d 226e 6f64 6538 2220 636c 6173 id=\"node8\" clas\n+00006b00: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00006b10: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00006b20: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n+00006b30: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...analysisdata\n+00006c60: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......\n+00006e90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006ea0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00006eb0: 6c79 7369 733c 2f74 6974 6c65 3e0a 3c67 lysis...trajectorya\n+00006ff0: 6e61 6c79 7369 733c 2f74 6578 743e 0a3c nalysis.<\n+00007000: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>....\n+00007080: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00007090: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+000070a0: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n+000070b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000070c0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+000070d0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line..\n+000071d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+00007260: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00007270: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00007280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007290: 735f 616e 616c 7973 6973 6461 7461 3c2f s_analysisdata....<\n+000073a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000073b0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+000073c0: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000073d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000073e0: 6d61 6373 5f67 6d78 616e 6120 2d2d 3e0a macs_gmxana -->.\n+000073f0: 3c67 2069 643d 2265 6467 6533 3322 2063 .module_src_g\n+00007420: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00007430: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+00007440: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007450: 6d61 6373 5f67 6d78 616e 613c 2f74 6974 macs_gmxana......mod\n+000077b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000077c0: 7374 6174 6973 7469 6373 3c2f 7469 746c statistics</titl\n+000077d0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+000077e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000077f0: 653d 2262 6c61 636b 2220 6378 3d22 3134 e=\"black\" cx=\"14\n+00007800: 3938 2220 6379 3d22 2d39 3039 2e36 3222 98\" cy=\"-909.62\"\n+00007810: 2072 783d 2233 392e 3722 2072 793d 2231 rx=\"39.7\" ry=\"1\n+00007820: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+00007830: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+00007840: 6522 2078 3d22 3134 3938 2220 793d 222d e\" x=\"1498\" y=\"-\n+00007850: 3930 372e 3132 2220 666f 6e74 2d66 616d 907.12\" font-fam\n+00007860: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n+00007870: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n+00007880: 3e73 7461 7469 7374 6963 733c 2f74 6578 >statistics</tex\n+00007890: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 t>.</g>.<!-- mod\n+000078a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000078b0: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+000078c0: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+000078d0: 655f 7372 635f 6772 6f6d 6163 735f 7374 e_src_gromacs_st\n+000078e0: 6174 6973 7469 6373 202d 2d3e 0a3c 6720 atistics -->.<g \n+000078f0: 6964 3d22 6564 6765 3335 2220 636c 6173 id=\"edge35\" clas\n+00007900: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00007910: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00007920: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00007930: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00007940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007950: 735f 7374 6174 6973 7469 6373 3c2f 7469 s_statistics</ti\n+00007960: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00007970: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00007980: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00007990: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000079a0: 3d22 4d31 3637 362e 3533 2c2d 3936 312e =\"M1676.53,-961.\n+000079b0: 3136 4331 3633 372e 3733 2c2d 3935 302e 16C1637.73,-950.\n+000079c0: 3138 2031 3537 362e 362c 2d39 3332 2e38 18 1576.6,-932.8\n+000079d0: 3720 3135 3336 2e39 2c2d 3932 312e 3633 7 1536.9,-921.63\n+000079e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+000079f0: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00007a00: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00007a10: 6e74 733d 2231 3533 372e 3633 2c2d 3931 nts=\"1537.63,-91\n+00007a20: 382e 3220 3135 3237 2e30 352c 2d39 3138 8.2 1527.05,-918\n+00007a30: 2e38 3420 3135 3335 2e37 322c 2d39 3234 .84 1535.72,-924\n+00007a40: 2e39 3320 3135 3337 2e36 332c 2d39 3138 .93 1537.63,-918\n+00007a50: 2e32 222f 3e0a 3c2f 673e 0a3c 212d 2d20 .2\"/>.</g>.<!-- \n+00007a60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00007a70: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00007a80: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00007a90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007aa0: 5f67 6d78 7072 6570 726f 6365 7373 202d _gmxpreprocess -\n+00007ab0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3332 ->.<g id=\"edge32\n+00007ac0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00007ad0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00007ae0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+00007af0: 746f 7279 616e 616c 7973 6973 2623 3435 toryanalysis-\n+00007b00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00007b10: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00007b20: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70 ocess....\n+00007c80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00007e90: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00007ea0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00007eb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00007ec0: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+00007ed0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m..<\n+00007fe0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+00007ff0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+00008000: 636b 2220 706f 696e 7473 3d22 3135 3239 ck\" points=\"1529\n+00008010: 2e39 372c 2d32 3431 2e37 3520 3135 3237 .97,-241.75 1527\n+00008020: 2e33 382c 2d32 3331 2e34 3720 3135 3233 .38,-231.47 1523\n+00008030: 2c2d 3234 312e 3132 2031 3532 392e 3937 ,-241.12 1529.97\n+00008040: 2c2d 3234 312e 3735 222f 3e0a 3c2f 673e ,-241.75\"/>.\n+00008050: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n 000080a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000080b0: 5f65 7761 6c64 202d 2d3e 0a3c 6720 6964 _ewald -->.<g id\n-000080c0: 3d22 6e6f 6465 3338 2220 636c 6173 733d =\"node38\" class=\n-000080d0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n-000080e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000080f0: 735f 6577 616c 643c 2f74 6974 6c65 3e0a s_ewald.\n-00008100: 3c67 2069 643d 2261 5f6e 6f64 6533 3822 .<\n-00008160: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n-00008170: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n-00008180: 6c61 636b 2220 6378 3d22 3535 3122 2063 lack\" cx=\"551\" c\n-00008190: 793d 222d 3135 352e 3138 2220 7278 3d22 y=\"-155.18\" rx=\"\n-000081a0: 3238 2e39 3822 2072 793d 2231 332e 3337 28.98\" ry=\"13.37\n-000081b0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61 \"/>.ewal\n-00008210: 643c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f d......module\n-000082a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-000082b0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-000082c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000082d0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n-000082e0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000082f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00008300: 2272 6564 2220 643d 224d 3131 3939 2e38 \"red\" d=\"M1199.8\n-00008310: 2c2d 3236 372e 3336 4331 3139 312e 3738 ,-267.36C1191.78\n-00008320: 2c2d 3234 392e 3833 2031 3137 342e 362c ,-249.83 1174.6,\n-00008330: 2d32 3138 2e35 3720 3131 3439 2c2d 3230 -218.57 1149,-20\n-00008340: 342e 3631 2031 3034 342e 3139 2c2d 3134 4.61 1044.19,-14\n-00008350: 372e 3436 2037 3331 2e33 332c 2d31 3834 7.46 731.33,-184\n-00008360: 2e33 3820 3631 332c 2d31 3638 2e36 3120 .38 613,-168.61 \n-00008370: 3630 342e 3234 2c2d 3136 372e 3434 2035 604.24,-167.44 5\n-00008380: 3934 2e38 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dge47\" class=\"ed\n-00008470: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00008480: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00008490: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-000084a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000084b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000084c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-000085c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00008610: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00008620: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00008630: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .gpu_ut\n-000086e0: 696c 733c 2f74 6578 743e 0a3c 2f67 3e0a ils..\n-000086f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-000089a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000089b0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-000089c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000089d0: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-000089e0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om......modu\n-00008b30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-00008b40: 6973 7465 645f 666f 7263 6573 3c2f 7469 isted_forces</ti\n-00008b50: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n-00008b60: 6465 3434 223e 3c61 2078 6c69 6e6b 3a68 de44\"><a xlink:h\n-00008b70: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-00008b80: 6c65 5f5f 6c69 7374 6564 5f5f 666f 7263 le__listed__forc\n-00008b90: 6573 2e78 6874 6d6c 2220 7461 7267 6574 es.xhtml\" target\n-00008ba0: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n-00008bb0: 746c 653d 226c 6973 7465 645f 666f 7263 tle=\"listed_forc\n-00008bc0: 6573 223e 0a3c 656c 6c69 7073 6520 6669 es\">.<ellipse fi\n-00008bd0: 6c6c 3d22 2365 3563 6366 6622 2073 7472 ll=\"#e5ccff\" str\n-00008be0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00008bf0: 3632 3722 2063 793d 222d 3539 352e 3237 627\" cy=\"-595.27\n-00008c00: 2220 7278 3d22 3530 2e38 3222 2072 793d \" rx=\"50.82\" ry=\n-00008c10: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n-00008c20: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n-00008c30: 646c 6522 2078 3d22 3632 3722 2079 3d22 dle\" x=\"627\" y=\"\n-00008c40: 2d35 3932 2e37 3722 2066 6f6e 742d 6661 -592.77\" font-fa\n-00008c50: 6d69 6c79 3d22 4672 6565 5361 6e73 2220 mily=\"FreeSans\" \n-00008c60: 666f 6e74 2d73 697a 653d 2231 302e 3030 font-size=\"10.00\n-00008c70: 223e 6c69 7374 6564 5f66 6f72 6365 733c \">listed_forces<\n-00008c80: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n-00008c90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00008ca0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-00008cb0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-00008cc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00008cd0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-00008ce0: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n-00008cf0: 643d 2265 6467 6534 3622 2063 6c61 7373 d=\"edge46\" class\n-00008d00: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00008d10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00008d20: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00008d30: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-00008d40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-00008d50: 6973 7465 645f 666f 7263 6573 3c2f 7469 isted_forces</ti\n-00008d60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00008d70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00008d80: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00008d90: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00008da0: 3d22 4d31 3138 302e 3836 2c2d 3239 332e =\"M1180.86,-293.\n-00008db0: 3436 4331 3136 312e 3436 2c2d 3330 322e 46C1161.46,-302.\n-00008dc0: 3931 2031 3133 332e 3635 2c2d 3331 362e 91 1133.65,-316.\n-00008dd0: 3839 2031 3131 302c 2d33 3330 2e33 3520 89 1110,-330.35 \n-00008de0: 3935 342e 322c 2d34 3139 2e30 3420 3933 954.2,-419.04 93\n-00008df0: 302e 3733 2c2d 3436 382e 3438 2037 3639 0.73,-468.48 769\n-00008e00: 2c2d 3534 352e 3833 2037 3337 2e31 362c ,-545.83 737.16,\n-00008e10: 2d35 3631 2e30 3620 3639 392e 3233 2c2d -561.06 699.23,-\n-00008e20: 3537 332e 3734 2036 3730 2e35 392c 2d35 573.74 670.59,-5\n-00008e30: 3832 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 82.3\"/>.<polygon\n-00008e40: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-00008e50: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-00008e60: 2070 6f69 6e74 733d 2236 3639 2e34 382c points=\"669.48,\n-00008e70: 2d35 3738 2e39 3820 3636 302e 3837 2c2d -578.98 660.87,-\n-00008e80: 3538 352e 3135 2036 3731 2e34 352c 2d35 585.15 671.45,-5\n-00008e90: 3835 2e37 2036 3639 2e34 382c 2d35 3738 85.7 669.48,-578\n-00008ea0: 2e39 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .98\"/>.</g>.<!--\n-00008eb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00008ec0: 6163 735f 636f 6d70 6174 202d 2d3e 0a3c acs_compat -->.<\n-00008ed0: 6720 6964 3d22 6e6f 6465 3436 2220 636c g id=\"node46\" cl\n-00008ee0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n-00008ef0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00008f00: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469 omacs_compat</ti\n-00008f10: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-00008f20: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-00008f30: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00008f40: 3131 3035 2220 6379 3d22 2d32 3138 2e30 1105\" cy=\"-218.0\n-00008f50: 3522 2072 783d 2233 342e 3822 2072 793d 5\" rx=\"34.8\" ry=\n-00008f60: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n-00008f70: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n-00008f80: 646c 6522 2078 3d22 3131 3035 2220 793d dle\" x=\"1105\" y=\n-00008f90: 222d 3231 352e 3535 2220 666f 6e74 2d66 \"-215.55\" font-f\n-00008fa0: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-00008fb0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-00008fc0: 3022 3e63 6f6d 7061 743c 2f74 6578 743e 0\">compat</text>\n-00008fd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00008fe0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-00008ff0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-00009000: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00009010: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00009020: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00009030: 3434 2220 636c 6173 733d 2265 6467 6522 44\" class=\"edge\"\n-00009040: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00009050: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-00009060: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-00009070: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00009080: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f gromacs_compat</\n-00009090: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000090a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-000090b0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-000090c0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-000090d0: 2064 3d22 4d31 3138 352e 3234 2c2d 3236 d=\"M1185.24,-26\n-000090e0: 372e 3839 4331 3136 392e 3837 2c2d 3235 7.89C1169.87,-25\n-000090f0: 382e 3533 2031 3134 382e 342c 2d32 3435 8.53 1148.4,-245\n-00009100: 2e34 3620 3131 3331 2e35 332c 2d32 3335 .46 1131.53,-235\n-00009110: 2e32 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .2\"/>.<polygon f\n-00009120: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00009130: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00009140: 6f69 6e74 733d 2231 3133 332e 3037 2c2d oints=\"1133.07,-\n-00009150: 3233 322e 3033 2031 3132 322e 3731 2c2d 232.03 1122.71,-\n-00009160: 3232 392e 3832 2031 3132 392e 3433 2c2d 229.82 1129.43,-\n-00009170: 3233 382e 3031 2031 3133 332e 3037 2c2d 238.01 1133.07,-\n-00009180: 3233 322e 3033 222f 3e0a 3c2f 673e 0a3c 232.03\"/>.</g>.<\n-00009190: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000091a0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-000091b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000091c0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-000091d0: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22 line -->.<g id=\"\n-000091e0: 6564 6765 3532 2220 636c 6173 733d 2265 edge52\" class=\"e\n-000091f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00009200: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00009210: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-00009220: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00009230: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n-00009240: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00009250: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00009260: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n-00009270: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00009280: 224d 3133 3036 2e34 352c 2d31 3032 392e \"M1306.45,-1029.\n-00009290: 3034 4331 3333 302e 3837 2c2d 3130 3233 04C1330.87,-1023\n-000092a0: 2e30 3820 3133 3633 2e31 362c 2d31 3031 .08 1363.16,-101\n-000092b0: 302e 3738 2031 3337 392c 2d39 3835 2e39 0.78 1379,-985.9\n-000092c0: 3220 3133 3839 2e30 382c 2d39 3730 2e31 2 1389.08,-970.1\n-000092d0: 3120 3133 3834 2e36 2c2d 3934 382e 3639 1 1384.6,-948.69\n-000092e0: 2031 3337 382e 3631 2c2d 3933 322e 3733 1378.61,-932.73\n-000092f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00009300: 6c3d 2262 6c61 636b 2220 7374 726f 6b65 l=\"black\" stroke\n-00009310: 3d22 626c 6163 6b22 2070 6f69 6e74 733d =\"black\" points=\n-00009320: 2231 3338 312e 3639 2c2d 3933 312e 3032 \"1381.69,-931.02\n-00009330: 2031 3337 342e 3539 2c2d 3932 332e 3135 1374.59,-923.15\n-00009340: 2031 3337 352e 3233 2c2d 3933 332e 3733 1375.23,-933.73\n-00009350: 2031 3338 312e 3639 2c2d 3933 312e 3032 1381.69,-931.02\n-00009360: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00009370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00009380: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00009390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000093a0: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n-000093b0: 6720 6964 3d22 6564 6765 3632 2220 636c g id=\"edge62\" cl\n-000093c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-000093d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-000093e0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-000093f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00009400: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-00009410: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00009420: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00009430: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-00009440: 3235 352e 3431 2c2d 3130 3233 2e39 3443 255.41,-1023.94C\n-00009450: 3132 3338 2e32 392c 2d31 3031 342e 3539 1238.29,-1014.59\n-00009460: 2031 3231 322e 3936 2c2d 3130 3030 2e31 1212.96,-1000.1\n-00009470: 3920 3131 3932 2c2d 3938 352e 3932 2031 9 1192,-985.92 1\n-00009480: 3036 372e 3934 2c2d 3930 312e 3435 2039 067.94,-901.45 9\n-00009490: 3330 2e33 2c2d 3738 352e 3237 2038 3738 30.3,-785.27 878\n-000094a0: 2e33 372c 2d37 3430 2e35 3722 2f3e 0a3c .37,-740.57\"/>.<\n-000094b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-000094c0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000094d0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-000094e0: 3838 302e 3337 2c2d 3733 372e 3637 2038 880.37,-737.67 8\n-000094f0: 3730 2e35 322c 2d37 3333 2e37 3920 3837 70.52,-733.79 87\n-00009500: 352e 382c 2d37 3432 2e39 3720 3838 302e 5.8,-742.97 880.\n-00009510: 3337 2c2d 3733 372e 3637 222f 3e0a 3c2f 37,-737.67\"/>.</\n-00009520: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00009530: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-00009540: 6374 6f72 7920 2d2d 3e0a 3c67 2069 643d ctory -->.<g id=\n-00009550: 226e 6f64 6531 3622 2063 6c61 7373 3d22 \"node16\" class=\"\n-00009560: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n-00009570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00009580: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n-00009590: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-000095a0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-000095b0: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n-000095c0: 3731 3322 2063 793d 222d 3539 352e 3237 713\" cy=\"-595.27\n-000095d0: 2220 7278 3d22 3431 2e30 3222 2072 793d \" rx=\"41.02\" ry=\n-000095e0: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n-000095f0: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n-00009600: 646c 6522 2078 3d22 3137 3133 2220 793d dle\" x=\"1713\" y=\n-00009610: 222d 3539 322e 3737 2220 666f 6e74 2d66 \"-592.77\" font-f\n-00009620: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-00009630: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-00009640: 3022 3e74 7261 6a65 6374 6f72 793c 2f74 0\">trajectory</t\n-00009650: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n-00009660: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00009670: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n-00009680: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00009690: 6163 735f 7472 616a 6563 746f 7279 202d acs_trajectory -\n-000096a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3539 ->.<g id=\"edge59\n-000096b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000096c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000096d0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-000096e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000096f0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00009700: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory.<\n-00009710: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00009720: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00009730: 2220 643d 224d 3133 3130 2e33 332c 2d31 \" d=\"M1310.33,-1\n-00009740: 3033 332e 3736 4331 3337 392e 3233 2c2d 033.76C1379.23,-\n-00009750: 3130 3331 2e37 3820 3135 3237 2e35 352c 1031.78 1527.55,\n-00009760: 2d31 3032 332e 3139 2031 3535 392c 2d39 -1023.19 1559,-9\n-00009770: 3835 2e39 3220 3135 3636 2e37 2c2d 3937 85.92 1566.7,-97\n-00009780: 362e 3739 2031 3536 362e 3031 2c2d 3936 6.79 1566.01,-96\n-00009790: 382e 3732 2031 3535 392c 2d39 3539 2e30 8.72 1559,-959.0\n-000097a0: 3520 3135 3238 2e38 312c 2d39 3137 2e34 5 1528.81,-917.4\n-000097b0: 2031 3437 392e 3139 2c2d 3936 342e 3720 1479.19,-964.7 \n-000097c0: 3134 3439 2c2d 3932 332e 3035 2031 3434 1449,-923.05 144\n-000097d0: 312e 3939 2c2d 3931 332e 3338 2031 3434 1.99,-913.38 144\n-000097e0: 312e 3331 2c2d 3930 352e 3331 2031 3434 1.31,-905.31 144\n-000097f0: 392c 2d38 3936 2e31 3820 3135 3039 2e37 9,-896.18 1509.7\n-00009800: 332c 2d38 3234 2e31 2031 3539 302e 322c 3,-824.1 1590.2,\n-00009810: 2d39 3235 2e36 3620 3136 3538 2c2d 3836 -925.66 1658,-86\n-00009820: 302e 3138 2031 3732 352e 3539 2c2d 3739 0.18 1725.59,-79\n-00009830: 342e 3931 2031 3732 302e 3939 2c2d 3636 4.91 1720.99,-66\n-00009840: 392e 3639 2031 3731 352e 3836 2c2d 3631 9.69 1715.86,-61\n-00009850: 382e 3722 2f3e 0a3c 706f 6c79 676f 6e20 8.7\"/>...\n-000098d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-00009940: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-00009950: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c 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nk:title=\"modula\n+000084b0: 7273 696d 756c 6174 6f72 223e 0a3c 656c rsimulator\">.<el\n+000084c0: 6c69 7073 6520 6669 6c6c 3d22 2365 3563 lipse fill=\"#e5c\n+000084d0: 6366 6622 2073 7472 6f6b 653d 2262 6c61 cff\" stroke=\"bla\n+000084e0: 636b 2220 6378 3d22 3132 3035 2220 6379 ck\" cx=\"1205\" cy\n+000084f0: 3d22 2d32 3830 2e39 3222 2072 783d 2236 =\"-280.92\" rx=\"6\n+00008500: 352e 3131 2220 7279 3d22 3133 2e33 3722 5.11\" ry=\"13.37\"\n+00008510: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n+00008520: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n+00008530: 2231 3230 3522 2079 3d22 2d32 3738 2e34 \"1205\" y=\"-278.4\n+00008540: 3222 2066 6f6e 742d 6661 6d69 6c79 3d22 2\" font-family=\"\n+00008550: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+00008560: 697a 653d 2231 302e 3030 223e 6d6f 6475 ize=\"10.00\">modu\n+00008570: 6c61 7273 696d 756c 6174 6f72 3c2f 7465 larsimulator</te\n+00008580: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f xt>.</a>.</g>.</\n+00008590: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000085a0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+000085b0: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+000085c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000085d0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+000085e0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->.<g id=\"e\n+000085f0: 6467 6534 3822 2063 6c61 7373 3d22 6564 dge48\" class=\"ed\n+00008600: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00008610: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00008620: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00008630: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008640: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00008650: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00008660: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+00008800: 3c67 2069 643d 2265 6467 6534 3322 2063 .module_src_g\n+00008830: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00008840: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00008850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008860: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline....\n+000089f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00008a40: 3c67 2069 643d 2265 6467 6533 3822 2063 .module_src_g\n+00008a70: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00008a80: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00008a90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008aa0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes.\n+00008b90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00008c20: 6720 6964 3d22 6e6f 6465 3230 2220 636c g id=\"node20\" cl\n+00008c30: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+00008c50: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm...\n+00008d70: 6e62 6e78 6d3c 2f74 6578 743e 0a3c 2f61 nbnxm......mo\n+00008e00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00008e10: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00008e20: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00008e30: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00008e40: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm......m\n+00008fb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008fc0: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling</title\n+00008fd0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00008fe0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00008ff0: 3d22 626c 6163 6b22 2063 783d 2231 3330 =\"black\" cx=\"130\n+00009000: 3922 2063 793d 222d 3231 382e 3035 2220 9\" cy=\"-218.05\" \n+00009010: 7278 3d22 3331 2e32 3322 2072 793d 2231 rx=\"31.23\" ry=\"1\n+00009020: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+00009030: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+00009040: 6522 2078 3d22 3133 3039 2220 793d 222d e\" x=\"1309\" y=\"-\n+00009050: 3231 352e 3535 2220 666f 6e74 2d66 616d 215.55\" font-fam\n+00009060: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n+00009070: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n+00009080: 3e70 756c 6c69 6e67 3c2f 7465 7874 3e0a >pulling</text>.\n+00009090: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000090a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+000090b0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+000090c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000090d0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+000090e0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000090f0: 3339 2220 636c 6173 733d 2265 6467 6522 39\" class=\"edge\"\n+00009100: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00009110: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00009120: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+00009130: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009140: 6772 6f6d 6163 735f 7075 6c6c 696e 673c gromacs_pulling<\n+00009150: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00009160: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00009170: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00009180: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00009190: 2220 643d 224d 3132 3235 2e35 352c 2d32 \" d=\"M1225.55,-2\n+000091a0: 3637 2e38 3943 3132 3431 2e39 382c 2d32 67.89C1241.98,-2\n+000091b0: 3538 2e32 3720 3132 3635 2e31 332c 2d32 58.27 1265.13,-2\n+000091c0: 3434 2e37 3220 3132 3832 2e38 382c 2d32 44.72 1282.88,-2\n+000091d0: 3334 2e33 3322 2f3e 0a3c 706f 6c79 676f 34.33\"/>.<polygo\n+000091e0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000091f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00009200: 2220 706f 696e 7473 3d22 3132 3834 2e37 \" points=\"1284.7\n+00009210: 342c 2d32 3337 2e33 2031 3239 312e 362c 4,-237.3 1291.6,\n+00009220: 2d32 3239 2e32 3320 3132 3831 2e32 2c2d -229.23 1281.2,-\n+00009230: 3233 312e 3236 2031 3238 342e 3734 2c2d 231.26 1284.74,-\n+00009240: 3233 372e 3322 2f3e 0a3c 2f67 3e0a 3c21 237.3\"/>.</g>.<!\n+00009250: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00009260: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+00009270: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+00009280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00009290: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+000092a0: 643d 2265 6467 6533 3722 2063 6c61 7373 d=\"edge37\" class\n+000092b0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000092c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000092d0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n+000092e0: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n+000092f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00009300: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib....<\n+00009410: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009420: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00009430: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00009440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009450: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67 cs_fileio -->..module_src_gro\n+00009490: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+000094a0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+000094b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000094c0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+000094d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+000095c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000095d0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000095e0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000095f0: 3132 3932 2e30 392c 2d38 3337 2e32 3120 1292.09,-837.21 \n+00009600: 3132 3833 2c2d 3834 322e 3637 2031 3239 1283,-842.67 129\n+00009610: 332e 352c 2d38 3434 2e30 3720 3132 3932 3.5,-844.07 1292\n+00009620: 2e30 392c 2d38 3337 2e32 3122 2f3e 0a3c .09,-837.21\"/>.<\n+00009630: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+00009870: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00009880: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00009890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000098a0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+000098b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000098c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000098d0: 2220 643d 224d 3132 3032 2e34 312c 2d32 \" d=\"M1202.41,-2\n+000098e0: 3637 2e32 3143 3131 3938 2e33 2c2d 3235 67.21C1198.3,-25\n+000098f0: 302e 3336 2031 3138 382e 3635 2c2d 3232 0.36 1188.65,-22\n+00009900: 302e 3836 2031 3136 392c 2d32 3034 2e36 0.86 1169,-204.6\n+00009910: 3120 3130 3532 2e30 322c 2d31 3037 2e38 1 1052.02,-107.8\n+00009920: 3620 3836 312e 3138 2c2d 3933 2e39 3420 6 861.18,-93.94 \n+00009930: 3737 372e 3037 2c2d 3932 2e37 3822 2f3e 777.07,-92.78\"/>\n+00009940: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+000099b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+00009a00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009a10: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00009a20: 743c 2f74 6974 6c65 3e0a 3c67 2069 643d t...\n+00009af0: 3c74 6578 7420 7465 7874 2d61 6e63 686f taskassi\n+00009b50: 676e 6d65 6e74 3c2f 7465 7874 3e0a 3c2f gnment.....\n+00009be0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00009bf0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+00009c00: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+00009c10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00009c20: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00009c30: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c70 nment.\n+00009ca0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+00009d80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009d90: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n+00009da0: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n+00009db0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00009dc0: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald....\n+00009ef0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+00009f70: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00009f80: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00009f90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009fa0: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n+00009fb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00009fc0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00009fd0: 224d 3131 3636 2e36 2c2d 3239 312e 3836 \"M1166.6,-291.86\n+00009fe0: 4331 3132 362e 3139 2c2d 3330 312e 3239 C1126.19,-301.29\n+00009ff0: 2031 3036 312e 3134 2c2d 3331 362e 3120 1061.14,-316.1 \n+0000a000: 3130 3035 2c2d 3333 302e 3335 2039 3939 1005,-330.35 999\n+0000a010: 2e37 2c2d 3333 312e 3720 3939 342e 3036 .7,-331.7 994.06\n+0000a020: 2c2d 3333 332e 3220 3938 382e 3437 2c2d ,-333.2 988.47,-\n+0000a030: 3333 342e 3638 222f 3e0a 3c70 6f6c 7967 334.68\"/>.....module_src_grom\n+0000a100: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils..\n+0000a1c0: 6770 755f 7574 696c 733c 2f74 6578 743e gpu_utils\n+0000a1d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+0000a250: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000a260: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0000a270: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000a280: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0000a290: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils..<\n+0000a3a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+0000a3b0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+0000a3c0: 636b 2220 706f 696e 7473 3d22 3930 332e ck\" points=\"903.\n+0000a3d0: 3833 2c2d 3531 332e 3038 2038 3936 2e35 83,-513.08 896.5\n+0000a3e0: 392c 2d35 3230 2e38 3220 3930 372e 3038 9,-520.82 907.08\n+0000a3f0: 2c2d 3531 392e 3239 2039 3033 2e38 332c ,-519.29 903.83,\n+0000a400: 2d35 3133 2e30 3822 2f3e 0a3c 2f67 3e0a -513.08\"/>..\n+0000a410: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n+0000a460: 6720 6964 3d22 6564 6765 3530 2220 636c g id=\"edge50\" cl\n+0000a470: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000a490: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0000a4a0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0000a4b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a4c0: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n+0000a4d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+0000a550: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+0000a560: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+0000a570: 636b 2220 706f 696e 7473 3d22 3134 3839 ck\" points=\"1489\n+0000a580: 2e33 352c 2d32 3330 2e30 3620 3134 3938 .35,-230.06 1498\n+0000a590: 2e35 332c 2d32 3234 2e37 3720 3134 3838 .53,-224.77 1488\n+0000a5a0: 2e30 352c 2d32 3233 2e31 3820 3134 3839 .05,-223.18 1489\n+0000a5b0: 2e33 352c 2d32 3330 2e30 3622 2f3e 0a3c .35,-230.06\"/>.<\n+0000a5c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+0000a620: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+0000a630: 6573 3c2f 7469 746c 653e 0a3c 6720 6964 es...\n+0000a700: 3c74 6578 7420 7465 7874 2d61 6e63 686f listed_f\n+0000a760: 6f72 6365 733c 2f74 6578 743e 0a3c 2f61 orces......module_\n+0000a9e0: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+0000a9f0: 6174 3c2f 7469 746c 653e 0a3c 656c 6c69 at..\n+0000aa50: 3c74 6578 7420 7465 7874 2d61 6e63 686f compat<\n+0000aab0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>....m\n+0000ab30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ab40: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0000ab50: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0000ab60: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0000ab70: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061 mpat...\n+0000ac70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+0000acc0: 6720 6964 3d22 6564 6765 3532 2220 636c g id=\"edge52\" cl\n+0000acd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000acf0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+0000ad00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ad10: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0000ad20: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine....<\n+0000ae50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000ae60: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0000ae70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ae80: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000ae90: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module_\n+0000aec0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000aed0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0000aee0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000aef0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.....\n+0000b2e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000b2f0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0000b300: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0000b310: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+0000b320: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan....\n+0000b520: 0a3c 6720 6964 3d22 6564 6765 3538 2220 ..module_src_\n+0000b550: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0000b560: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000b570: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+0000b580: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n+0000b730: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b740: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n+0000b750: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b760: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+0000b770: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000b780: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0000b790: 6662 6662 6622 2064 3d22 4d31 3236 302e fbfbf\" d=\"M1260.\n+0000b7a0: 3339 2c2d 3130 3232 2e39 3843 3132 3530 39,-1022.98C1250\n+0000b7b0: 2e32 382c 2d31 3031 342e 3132 2031 3233 .28,-1014.12 123\n+0000b7c0: 372e 3637 2c2d 3130 3030 2e38 3520 3132 7.67,-1000.85 12\n+0000b7d0: 3332 2c2d 3938 352e 3932 2031 3231 362e 32,-985.92 1216.\n+0000b7e0: 3937 2c2d 3934 362e 3334 2031 3233 332e 97,-946.34 1233.\n+0000b7f0: 3834 2c2d 3839 362e 3837 2031 3234 362e 84,-896.87 1246.\n+0000b800: 3234 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653e =\"edge\">.<title>\n+0000b8f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b900: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n+0000b910: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b920: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+0000b930: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000b940: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0000b950: 6662 6662 6622 2064 3d22 4d31 3233 392e fbfbf\" d=\"M1239.\n+0000b960: 3933 2c2d 3130 3332 2e39 3843 3130 3539 93,-1032.98C1059\n+0000b970: 2e34 362c 2d31 3032 352e 3620 3234 302e .46,-1025.6 240.\n+0000b980: 3336 2c2d 3938 382e 3639 2031 3530 2c2d 36,-988.69 150,-\n+0000b990: 3932 332e 3035 2031 3230 2e34 332c 2d39 923.05 120.43,-9\n+0000b9a0: 3031 2e35 3820 3131 372c 2d38 3834 2e32 01.58 117,-884.2\n+0000b9b0: 3920 3131 372c 2d38 3437 2e37 3520 3131 9 117,-847.75 11\n+0000b9c0: 372c 2d38 3437 2e37 3520 3131 372c 2d38 7,-847.75 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6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000bac0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0000bad0: 655f 7372 635f 6772 6f6d 6163 735f 7374 e_src_gromacs_st\n+0000bae0: 6174 6973 7469 6373 202d 2d3e 0a3c 6720 atistics -->.<g \n+0000baf0: 6964 3d22 6564 6765 3536 2220 636c 6173 id=\"edge56\" clas\n+0000bb00: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0000bb10: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000bb20: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0000bb30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000bb40: 6f6d 6163 735f 7374 6174 6973 7469 6373 omacs_statistics\n+0000bb50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n 0000bc80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-0000bcd0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-0000bce0: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c65 ology..top\n-0000bda0: 6f6c 6f67 793c 2f74 6578 743e 0a3c 2f67 ology....mo\n-0000be20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000be30: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n-0000be40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000be50: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n-0000be60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000be70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000be80: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000be90: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000bea0: 3d22 4d31 3236 322e 3834 2c2d 3737 382e =\"M1262.84,-778.\n-0000beb0: 3135 4331 3138 342e 3038 2c2d 3736 372e 15C1184.08,-767.\n-0000bec0: 3235 2039 3839 2e37 382c 2d37 3430 2e33 25 989.78,-740.3\n-0000bed0: 3720 3930 312e 372c 2d37 3238 2e31 3922 7 901.7,-728.19\"\n-0000bee0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000bef0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000bf00: 653d 2223 3238 3266 6363 2220 706f 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size=\"10.00\">tes\n-0000c0d0: 7475 7469 6c73 3c2f 7465 7874 3e0a 3c2f tutils</text>.</\n-0000c0e0: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d a>.</g>.</g>.<!-\n-0000c0f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0000c100: 6d61 6373 5f74 6f70 6f6c 6f67 7926 2334 macs_topology\n-0000c110: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000c120: 5f74 6573 7475 7469 6c73 202d 2d3e 0a3c _testutils -->.<\n-0000c130: 6720 6964 3d22 6564 6765 3732 2220 636c g id=\"edge72\" cl\n-0000c140: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0000c150: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0000c160: 6f6d 6163 735f 746f 706f 6c6f 6779 2623 omacs_topology&#\n-0000c170: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000c180: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils</tit\n-0000c190: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000c1a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0000c1b0: 6422 2064 3d22 4d31 3333 312e 3332 2c2d d\" d=\"M1331.32,-\n-0000c1c0: 3738 392e 3434 4331 3335 322e 3034 2c2d 789.44C1352.04,-\n-0000c1d0: 3739 322e 3036 2031 3337 392c 2d37 3935 792.06 1379,-795\n-0000c1e0: 2e32 3320 3134 3033 2c2d 3739 372e 3331 .23 1403,-797.31\n-0000c1f0: 2031 3638 362e 3833 2c2d 3832 312e 3932 1686.83,-821.92\n-0000c200: 2031 3736 352e 3138 2c2d 3737 302e 3232 1765.18,-770.22\n-0000c210: 2032 3034 332c 2d38 3333 2e33 3120 3231 2043,-833.31 21\n-0000c220: 3030 2e31 312c 2d38 3436 2e32 3820 3231 00.11,-846.28 21\n-0000c230: 3632 2e33 312c 2d38 3735 2e33 3720 3231 62.31,-875.37 21\n-0000c240: 3937 2e34 392c 2d38 3933 2e33 3622 2f3e 97.49,-893.36\"/>\n-0000c250: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000c260: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n-0000c270: 2220 706f 696e 7473 3d22 3231 3936 2e31 \" points=\"2196.1\n-0000c280: 392c 2d38 3936 2e36 3220 3232 3036 2e36 9,-896.62 2206.6\n-0000c290: 382c 2d38 3938 2e31 3220 3231 3939 2e34 8,-898.12 2199.4\n-0000c2a0: 312c 2d38 3930 2e34 3120 3231 3936 2e31 1,-890.41 2196.1\n-0000c2b0: 392c 2d38 3936 2e36 3222 2f3e 0a3c 2f67 9,-896.62\"/>.</g\n-0000c2c0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000c2d0: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n-0000c2e0: 6c20 2d2d 3e0a 3c67 2069 643d 226e 6f64 l -->.<g id=\"nod\n-0000c2f0: 6531 3322 2063 6c61 7373 3d22 6e6f 6465 e13\" class=\"node\n-0000c300: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c310: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-0000c320: 7574 696c 3c2f 7469 746c 653e 0a3c 656c util..pbcuti\n-0000c3e0: 6c3c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 l....modul\n-0000c460: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n-0000c470: 6375 7469 6c26 2334 353b 2667 743b 6d6f cutil->mo\n-0000c480: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c490: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n-0000c4a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c4b0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0000c4c0: 6266 6266 2220 643d 224d 3833 372e 3438 bfbf\" d=\"M837.48\n-0000c4d0: 2c2d 3538 322e 3234 4338 3433 2e38 342c ,-582.24C843.84,\n-0000c4e0: 2d35 3734 2e31 3820 3835 322e 3338 2c2d -574.18 852.38,-\n-0000c4f0: 3536 332e 3335 2038 3539 2e38 2c2d 3535 563.35 859.8,-55\n-0000c500: 332e 3934 222f 3e0a 3c70 6f6c 7967 6f6e 3.94\"/>.<polygon\n-0000c510: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-0000c520: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-0000c530: 2070 6f69 6e74 733d 2238 3632 2e37 362c points=\"862.76,\n-0000c540: 2d35 3535 2e38 3320 3836 362e 3231 2c2d -555.83 866.21,-\n-0000c550: 3534 352e 3831 2038 3537 2e32 372c 2d35 545.81 857.27,-5\n-0000c560: 3531 2e35 2038 3632 2e37 362c 2d35 3535 51.5 862.76,-555\n-0000c570: 2e38 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .83\"/>.</g>.<!--\n-0000c580: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0000c590: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0000c5a0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6e6f es -->.<g id=\"no\n-0000c5b0: 6465 3134 2220 636c 6173 733d 226e 6f64 de14\" class=\"nod\n-0000c5c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000c5d0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0000c5e0: 706c 6965 645f 666f 7263 6573 3c2f 7469 plied_forces</ti\n-0000c5f0: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-0000c600: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-0000c610: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-0000c620: 3136 3835 2220 6379 3d22 2d32 3830 2e39 1685\" cy=\"-280.9\n-0000c630: 3222 2072 783d 2235 362e 3634 2220 7279 2\" rx=\"56.64\" ry\n-0000c640: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0000c650: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0000c660: 6464 6c65 2220 783d 2231 3638 3522 2079 ddle\" x=\"1685\" y\n-0000c670: 3d22 2d32 3738 2e34 3222 2066 6f6e 742d =\"-278.42\" font-\n-0000c680: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-0000c690: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-0000c6a0: 3030 223e 6170 706c 6965 645f 666f 7263 00\">applied_forc\n-0000c6b0: 6573 3c2f 7465 7874 3e0a 3c2f 673e 0a3c es</text>.</g>.<\n-0000c6c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000c6d0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0000c6e0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0000c6f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c700: 5f6d 6472 756e 7574 696c 6974 7920 2d2d _mdrunutility --\n-0000c710: 3e0a 3c67 2069 643d 2265 6467 6538 3322 >.<g id=\"edge83\"\n-0000c720: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000c730: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000c740: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0000c750: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-0000c760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000c770: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n-0000c780: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000c790: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000c7a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000c7b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0000c7c0: 2220 643d 224d 3137 3034 2e37 342c 2d32 \" d=\"M1704.74,-2\n-0000c7d0: 3933 2e38 3243 3137 3332 2e34 312c 2d33 93.82C1732.41,-3\n-0000c7e0: 3131 2e36 3720 3137 3832 2e30 312c 2d33 11.67 1782.01,-3\n-0000c7f0: 3438 2e31 3120 3138 3036 2c2d 3339 332e 48.11 1806,-393.\n-0000c800: 3232 2031 3836 342e 3132 2c2d 3530 322e 22 1864.12,-502.\n-0000c810: 3439 2031 3838 312e 3333 2c2d 3538 302e 49 1881.33,-580.\n-0000c820: 3037 2031 3739 382c 2d36 3731 2e35 3720 07 1798,-671.57 \n-0000c830: 3137 3336 2e33 392c 2d37 3339 2e32 3220 1736.39,-739.22 \n-0000c840: 3137 3137 2e34 352c 2d37 3537 2e36 3520 1717.45,-757.65 \n-0000c850: 3136 3335 2c2d 3739 372e 3331 2031 3531 1635,-797.31 151\n-0000c860: 352e 3539 2c2d 3835 342e 3735 2031 3131 5.59,-854.75 111\n-0000c870: 362e 3633 2c2d 3933 352e 3438 2039 3738 6.63,-935.48 978\n-0000c880: 2e35 332c 2d39 3632 2e33 3722 2f3e 0a3c .53,-962.37\"/>.<\n-0000c890: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0000c8a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0000c8b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0000c8c0: 3937 372e 3831 2c2d 3935 382e 3935 2039 977.81,-958.95 9\n-0000c8d0: 3638 2e36 362c 2d39 3634 2e32 3920 3937 68.66,-964.29 97\n-0000c8e0: 392e 3134 2c2d 3936 352e 3832 2039 3737 9.14,-965.82 977\n-0000c8f0: 2e38 312c 2d39 3538 2e39 3522 2f3e 0a3c .81,-958.95\"/>.<\n-0000c900: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000c910: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000c920: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-0000c930: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000c940: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0000c950: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-0000c960: 6537 3422 2063 6c61 7373 3d22 6564 6765 e74\" class=\"edge\n-0000c970: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c980: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0000c990: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-0000c9a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000c9b0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0000c9c0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne....<\n-0000cb70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000cb80: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0000cb90: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0000cba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000cbb0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->..module_src_grom\n-0000cbf0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0000cc00: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0000cc10: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000cc20: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.\n-0000cd70: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-0000ce30: 3c67 2069 643d 2265 6467 6538 3722 2063 .module_src_g\n-0000ce60: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0000ce70: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0000ce80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ce90: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n-0000cea0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-0000cf70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0000d1f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d200: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-0000d210: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000d220: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0000d230: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio..<\n-0000d300: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000d310: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0000d320: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0000d330: 3132 3934 2e32 332c 2d38 3433 2e31 3520 1294.23,-843.15 \n-0000d340: 3132 3834 2e32 2c2d 3834 362e 3538 2031 1284.2,-846.58 1\n-0000d350: 3239 342e 3138 2c2d 3835 302e 3135 2031 294.18,-850.15 1\n-0000d360: 3239 342e 3233 2c2d 3834 332e 3135 222f 294.23,-843.15\"/\n-0000d370: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >...\n-0000d3e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000d3f0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-0000d400: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-0000d410: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000d420: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec</tit\n-0000d430: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000d440: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000d450: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0000d460: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0000d470: 224d 3136 3336 2e30 362c 2d32 3837 2e38 \"M1636.06,-287.8\n-0000d480: 3143 3134 3631 2e30 342c 2d33 3038 2e38 1C1461.04,-308.8\n-0000d490: 3720 3836 372e 3833 2c2d 3338 302e 3238 7 867.83,-380.28\n-0000d4a0: 2037 3030 2e39 382c 2d34 3030 2e33 3622 700.98,-400.36\"\n-0000d4b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000d4c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000d4d0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-0000d4e0: 7473 3d22 3730 302e 3133 2c2d 3339 362e ts=\"700.13,-396.\n-0000d4f0: 3934 2036 3930 2e36 322c 2d34 3031 2e36 94 690.62,-401.6\n-0000d500: 3120 3730 302e 3937 2c2d 3430 332e 3839 1 700.97,-403.89\n-0000d510: 2037 3030 2e31 332c 2d33 3936 2e39 3422 700.13,-396.94\"\n-0000d520: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000d530: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d540: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0000d550: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000d560: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0000d570: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0000d580: 3831 2220 636c 6173 733d 2265 6467 6522 81\" class=\"edge\"\n-0000d590: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0000d5a0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000d5b0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-0000d5c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000d5d0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n-0000d5e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000d5f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000d600: 6266 6266 6266 2220 643d 224d 3136 3734 bfbfbf\" d=\"M1674\n-0000d610: 2e30 362c 2d32 3637 2e34 3743 3136 3539 .06,-267.47C1659\n-0000d620: 2e34 392c 2d32 3531 2e34 3320 3136 3332 .49,-251.43 1632\n-0000d630: 2e33 372c 2d32 3233 2e33 3920 3136 3035 .37,-223.39 1605\n-0000d640: 2c2d 3230 342e 3631 2031 3535 312e 3735 ,-204.61 1551.75\n-0000d650: 2c2d 3136 382e 3038 2031 3533 362e 3437 ,-168.08 1536.47\n-0000d660: 2c2d 3135 382e 3132 2031 3437 342c 2d31 ,-158.12 1474,-1\n-0000d670: 3431 2e37 3420 3133 3430 2e38 322c 2d31 41.74 1340.82,-1\n-0000d680: 3036 2e38 3220 3931 332e 3235 2c2d 3936 06.82 913.25,-96\n-0000d690: 2e34 3320 3737 372e 3038 2c2d 3933 2e39 .43 777.08,-93.9\n-0000d6a0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>.<polygon fi\n-0000d6b0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-0000d6c0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n-0000d6d0: 696e 7473 3d22 3737 372e 312c 2d39 302e ints=\"777.1,-90.\n-0000d6e0: 3436 2037 3637 2e30 342c 2d39 332e 3739 46 767.04,-93.79\n-0000d6f0: 2037 3736 2e39 372c 2d39 372e 3436 2037 776.97,-97.46 7\n-0000d700: 3737 2e31 2c2d 3930 2e34 3622 2f3e 0a3c 77.1,-90.46\"/>.<\n-0000d710: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000d720: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000d730: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-0000d740: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000d750: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n-0000d760: 2d3e 0a3c 6720 6964 3d22 6564 6765 3838 ->.<g id=\"edge88\n-0000d770: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000d780: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000d790: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-0000d7a0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-0000d7b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000d7c0: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n-0000d7d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000d7e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-0000d7f0: 6564 2220 643d 224d 3136 3736 2e34 342c ed\" d=\"M1676.44,\n-0000d800: 2d32 3637 2e36 3343 3136 3635 2e34 392c -267.63C1665.49,\n-0000d810: 2d32 3532 2e32 3520 3136 3435 2e35 392c -252.25 1645.59,\n-0000d820: 2d32 3235 2e34 2031 3632 362c 2d32 3034 -225.4 1626,-204\n-0000d830: 2e36 3120 3135 3637 2e36 342c 2d31 3432 .61 1567.64,-142\n-0000d840: 2e36 3820 3134 3839 2e38 322c 2d37 382e .68 1489.82,-78.\n-0000d850: 3539 2031 3435 312e 3832 2c2d 3438 2e33 59 1451.82,-48.3\n-0000d860: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n-0000d870: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d ll=\"red\" stroke=\n-0000d880: 2272 6564 2220 706f 696e 7473 3d22 3134 \"red\" points=\"14\n-0000d890: 3533 2e39 322c 2d34 352e 3532 2031 3434 53.92,-45.52 144\n-0000d8a0: 332e 3931 2c2d 3432 2e30 3520 3134 3439 3.91,-42.05 1449\n-0000d8b0: 2e35 372c 2d35 312e 3031 2031 3435 332e .57,-51.01 1453.\n-0000d8c0: 3932 2c2d 3435 2e35 3222 2f3e 0a3c 2f67 92,-45.52\"/>.</g\n-0000d8d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000d8e0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-0000d8f0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-0000d900: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000d910: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a acs_options -->.\n-0000d920: 3c67 2069 643d 2265 6467 6537 3722 2063 <g id=\"edge77\" c\n-0000d930: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0000d940: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0000d950: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0000d960: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0000d970: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000d980: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n-0000d990: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-0000da10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .<\n-0000da80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-0000db00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0000db10: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-0000db20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000db30: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0000db40: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess.<\n-0000db50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000db60: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-0000db70: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0000db80: 6179 3d22 352c 3222 2064 3d22 4d31 3637 ay=\"5,2\" d=\"M167\n-0000db90: 322e 3235 2c2d 3239 342e 3036 4331 3631 2.25,-294.06C161\n-0000dba0: 332e 3035 2c2d 3335 3020 3133 3537 2e36 3.05,-350 1357.6\n-0000dbb0: 312c 2d35 3836 2e34 3120 3131 3136 2c2d 1,-586.41 1116,-\n-0000dbc0: 3733 342e 3434 2039 3130 2e36 392c 2d38 734.44 910.69,-8\n-0000dbd0: 3630 2e32 3320 3735 332e 3237 2c2d 3735 60.23 753.27,-75\n-0000dbe0: 362e 3535 2036 3233 2c2d 3935 392e 3035 6.55 623,-959.05\n-0000dbf0: 2035 3939 2e31 382c 2d39 3936 2e30 3920 599.18,-996.09 \n-0000dc00: 3632 372e 3538 2c2d 3130 3235 2e35 3720 627.58,-1025.57 \n-0000dc10: 3636 352c 2d31 3034 382e 3739 2037 3134 665,-1048.79 714\n-0000dc20: 2e36 2c2d 3130 3739 2e35 3820 3837 362e .6,-1079.58 876.\n-0000dc30: 3837 2c2d 3130 3930 2e39 3920 3937 302e 87,-1090.99 970.\n-0000dc40: 3232 2c2d 3130 3935 2e30 3722 2f3e 0a3c 22,-1095.07\"/>.<\n-0000dc50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0000dc60: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-0000dc70: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-0000dc80: 3937 302e 3239 2c2d 3130 3938 2e35 3720 970.29,-1098.57 \n-0000dc90: 3938 302e 3432 2c2d 3130 3935 2e35 2039 980.42,-1095.5 9\n-0000dca0: 3730 2e35 382c 2d31 3039 312e 3538 2039 70.58,-1091.58 9\n-0000dcb0: 3730 2e32 392c 2d31 3039 382e 3537 222f 70.29,-1098.57\"/\n-0000dcc0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....modul\n-0000df40: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0000df50: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0000df60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000df70: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n-0000df80: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000df90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000dfa0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n-0000dfb0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000dfc0: 3d22 4d31 3635 372e 3437 2c2d 3236 392e =\"M1657.47,-269.\n-0000dfd0: 3137 4331 3633 302e 3731 2c2d 3235 382e 17C1630.71,-258.\n-0000dfe0: 3733 2031 3539 302e 3036 2c2d 3234 322e 73 1590.06,-242.\n-0000dff0: 3837 2031 3536 312e 3638 2c2d 3233 312e 87 1561.68,-231.\n-0000e000: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n-0000e010: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n-0000e020: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n-0000e030: 3d22 3135 3632 2e37 382c 2d32 3238 2e34 =\"1562.78,-228.4\n-0000e040: 3720 3135 3532 2e31 392c 2d32 3238 2e30 7 1552.19,-228.0\n-0000e050: 3920 3135 3630 2e32 332c 2d32 3334 2e39 9 1560.23,-234.9\n-0000e060: 3920 3135 3632 2e37 382c 2d32 3238 2e34 9 1562.78,-228.4\n-0000e070: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n-0000e080: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000e090: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-0000e0a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000e0b0: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n-0000e0c0: 6174 202d 2d3e 0a3c 6720 6964 3d22 6564 at -->.<g id=\"ed\n-0000e0d0: 6765 3739 2220 636c 6173 733d 2265 6467 ge79\" class=\"edg\n-0000e0e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000e0f0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0000e100: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0000e110: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000e120: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f gromacs_compat</\n-0000e130: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000e140: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000e150: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0000e160: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000e170: 2064 3d22 4d31 3633 342e 382c 2d32 3734 d=\"M1634.8,-274\n-0000e180: 2e36 3543 3135 3232 2e36 352c 2d32 3632 .65C1522.65,-262\n-0000e190: 2e38 3820 3132 3533 2e34 312c 2d32 3334 .88 1253.41,-234\n-0000e1a0: 2e36 3220 3131 3438 2e31 382c 2d32 3233 .62 1148.18,-223\n-0000e1b0: 2e35 3822 2f3e 0a3c 706f 6c79 676f 6e20 .58\"/>.<polygon \n-0000e1c0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-0000e1d0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0000e1e0: 706f 696e 7473 3d22 3131 3438 2e32 342c points=\"1148.24,\n-0000e1f0: 2d32 3230 2e30 3620 3131 3337 2e39 332c -220.06 1137.93,\n-0000e200: 2d32 3232 2e35 2031 3134 372e 3531 2c2d -222.5 1147.51,-\n-0000e210: 3232 372e 3033 2031 3134 382e 3234 2c2d 227.03 1148.24,-\n-0000e220: 3232 302e 3036 222f 3e0a 3c2f 673e 0a3c 220.06\"/>.</g>.<\n-0000e230: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70 !-- module_src_p\n-0000e240: 726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n-0000e250: 7374 7320 2d2d 3e0a 3c67 2069 643d 226e sts -->.<g id=\"n\n-0000e260: 6f64 6535 3022 2063 6c61 7373 3d22 6e6f ode50\" class=\"no\n-0000e270: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n-0000e280: 6c65 5f73 7263 5f70 726f 6772 616d 735f le_src_programs_\n-0000e290: 6d64 7275 6e5f 7465 7374 733c 2f74 6974 mdrun_tests</tit\n-0000e2a0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-0000e2b0: 6535 3022 3e3c 6120 786c 696e 6b3a 6872 e50\"><a xlink:hr\n-0000e2c0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n-0000e2d0: 655f 5f6d 6472 756e 5f5f 696e 7465 6772 e__mdrun__integr\n-0000e2e0: 6174 696f 6e5f 5f74 6573 7473 2e78 6874 ation__tests.xht\n-0000e2f0: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70 ml\" target=\"_top\n-0000e300: 2220 786c 696e 6b3a 7469 746c 653d 226d \" xlink:title=\"m\n-0000e310: 6472 756e 5f69 6e74 6567 7261 7469 6f6e drun_integration\n-0000e320: 5f74 6573 7473 223e 0a3c 656c 6c69 7073 _tests\">.<ellips\n-0000e330: 6520 6669 6c6c 3d22 2365 3563 6366 6622 e fill=\"#e5ccff\"\n-0000e340: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0000e350: 6378 3d22 3232 3736 2220 6379 3d22 2d32 cx=\"2276\" cy=\"-2\n-0000e360: 3138 2e30 3522 2072 783d 2238 352e 3632 18.05\" rx=\"85.62\n-0000e370: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c \" ry=\"13.37\"/>.<\n-0000e380: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-0000e390: 3d22 6d69 6464 6c65 2220 783d 2232 3237 =\"middle\" x=\"227\n-0000e3a0: 3622 2079 3d22 2d32 3135 2e35 3522 2066 6\" y=\"-215.55\" f\n-0000e3b0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-0000e3c0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-0000e3d0: 2231 302e 3030 223e 6d64 7275 6e5f 696e \"10.00\">mdrun_in\n-0000e3e0: 7465 6772 6174 696f 6e5f 7465 7374 733c tegration_tests<\n-0000e3f0: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n-0000e400: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0000e410: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0000e420: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0000e430: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000e440: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74 programs_mdrun_t\n-0000e450: 6573 7473 202d 2d3e 0a3c 6720 6964 3d22 ests -->.<g id=\"\n-0000e460: 6564 6765 3835 2220 636c 6173 733d 2265 edge85\" class=\"e\n-0000e470: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000e480: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000e490: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0000e4a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000e4b0: 635f 7072 6f67 7261 6d73 5f6d 6472 756e c_programs_mdrun\n-0000e4c0: 5f74 6573 7473 3c2f 7469 746c 653e 0a3c _tests.<\n-0000e4d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000e4e0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-0000e4f0: 224d 3137 3335 2e35 382c 2d32 3734 2e38 \"M1735.58,-274.8\n-0000e500: 3943 3137 3538 2e35 392c 2d32 3732 2e36 9C1758.59,-272.6\n-0000e510: 3220 3137 3836 2e31 372c 2d32 3639 2e39 2 1786.17,-269.9\n-0000e520: 2031 3831 312c 2d32 3637 2e34 3820 3139 1811,-267.48 19\n-0000e530: 3737 2e36 352c 2d32 3531 2e32 3620 3230 77.65,-251.26 20\n-0000e540: 3139 2e37 2c2d 3235 302e 3934 2032 3138 19.7,-250.94 218\n-0000e550: 362c 2d32 3331 2e34 3820 3231 3932 2e35 6,-231.48 2192.5\n-0000e560: 332c 2d32 3330 2e37 3220 3231 3939 2e33 3,-230.72 2199.3\n-0000e570: 312c 2d32 3239 2e38 3720 3232 3036 2e31 1,-229.87 2206.1\n-0000e580: 2c2d 3232 382e 3939 222f 3e0a 3c70 6f6c ,-228.99\"/>.....\n-0000e640: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0000e650: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n-0000e660: 696f 6e3c 2f74 6974 6c65 3e0a 3c67 2069 ion...selection...\n-0000e7a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n-0000e810: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000e820: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n-0000e830: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000e840: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options</t\n-0000e850: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000e860: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000e870: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0000e880: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0000e890: 643d 224d 3139 3734 2e32 312c 2d38 3937 d=\"M1974.21,-897\n-0000e8a0: 2e32 3743 3139 3535 2e30 382c 2d38 3832 .27C1955.08,-882\n-0000e8b0: 2e38 3520 3139 3238 2e30 372c 2d38 3537 .85 1928.07,-857\n-0000e8c0: 2031 3934 312c 2d38 3333 2e33 3120 3139 1941,-833.31 19\n-0000e8d0: 3535 2e31 382c 2d38 3037 2e33 3420 3139 55.18,-807.34 19\n-0000e8e0: 3831 2e31 2c2d 3832 322e 3236 2031 3939 81.1,-822.26 199\n-0000e8f0: 372c 2d37 3937 2e33 3120 3230 3630 2e36 7,-797.31 2060.6\n-0000e900: 332c 2d36 3937 2e34 3920 3230 3333 2c2d 3,-697.49 2033,-\n-0000e910: 3635 312e 3738 2032 3033 332c 2d35 3333 651.78 2033,-533\n-0000e920: 2e34 2032 3033 332c 2d35 3333 2e34 2032 .4 2033,-533.4 2\n-0000e930: 3033 332c 2d35 3333 2e34 2032 3033 332c 033,-533.4 2033,\n-0000e940: 2d33 3432 2e37 3920 3230 3333 2c2d 3330 -342.79 2033,-30\n-0000e950: 362e 3936 2032 3032 342e 3733 2c2d 3236 6.96 2024.73,-26\n-0000e960: 362e 3033 2032 3031 382e 3832 2c2d 3234 6.03 2018.82,-24\n-0000e970: 312e 3339 222f 3e0a 3c70 6f6c 7967 6f6e 1.39\"/>.<polygon\n-0000e980: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-0000e990: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-0000e9a0: 2070 6f69 6e74 733d 2232 3032 322e 322c points=\"2022.2,\n-0000e9b0: 2d32 3430 2e34 3520 3230 3136 2e33 392c -240.45 2016.39,\n-0000e9c0: 2d32 3331 2e35 3820 3230 3135 2e34 2c2d -231.58 2015.4,-\n-0000e9d0: 3234 322e 3133 2032 3032 322e 322c 2d32 242.13 2022.2,-2\n-0000e9e0: 3430 2e34 3522 2f3e 0a3c 2f67 3e0a 3c21 40.45\"/>.</g>.<!\n-0000e9f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0000ea00: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-0000ea10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000ea20: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e rc_gromacs_onlin\n-0000ea30: 6568 656c 7020 2d2d 3e0a 3c67 2069 643d ehelp -->.<g id=\n-0000ea40: 2265 6467 6539 3022 2063 6c61 7373 3d22 \"edge90\" class=\"\n-0000ea50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0000ea60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ea70: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n-0000ea80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000ea90: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70 omacs_onlinehelp\n-0000eaa0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0000eb10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n-0000ebd0: 6720 6964 3d22 6564 6765 3931 2220 636c g id=\"edge91\" cl\n-0000ebe0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000ec00: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-0000ec10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000ec20: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-0000ec30: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m....<\n-0000edb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000edc0: 726f 6d61 6373 5f6c 696e 6561 7261 6c67 romacs_linearalg\n-0000edd0: 6562 7261 202d 2d3e 0a3c 6720 6964 3d22 ebra -->..mod\n-0000ee00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ee10: 6c69 6e65 6172 616c 6765 6272 613c 2f74 linearalgebra</t\n-0000ee20: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n-0000ee30: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0000ee40: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n-0000ee50: 2231 3637 3822 2063 793d 222d 3131 3631 \"1678\" cy=\"-1161\n-0000ee60: 2e31 2220 7278 3d22 3530 2e34 3122 2072 .1\" rx=\"50.41\" r\n-0000ee70: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-0000ee80: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-0000ee90: 6964 646c 6522 2078 3d22 3136 3738 2220 iddle\" x=\"1678\" \n-0000eea0: 793d 222d 3131 3538 2e36 2220 666f 6e74 y=\"-1158.6\" font\n-0000eeb0: 2d66 616d 696c 793d 2246 7265 6553 616e 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2066 696c 6c3d 2272 ....module_src_gro\n-0000f130: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-0000f140: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000f150: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib......m\n-0000f2d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000f2e0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-0000f2f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000f300: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n-0000f310: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000f320: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0000f330: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-0000f340: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0000f350: 3736 352e 382c 2d34 3630 2e30 3643 3734 765.8,-460.06C74\n-0000f360: 322e 3934 2c2d 3435 302e 3439 2037 3038 2.94,-450.49 708\n-0000f370: 2e33 342c 2d34 3334 2e37 2036 3834 2e32 .34,-434.7 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746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000f470: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-0000f480: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000f490: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0000f4a0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib..\n-0000f5d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0000f640: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000f650: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-0000f660: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000f670: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n-0000f680: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000f690: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-0000f6a0: 6564 2220 643d 224d 3735 392e 3739 2c2d ed\" d=\"M759.79,-\n-0000f6b0: 3436 332e 3538 4337 3230 2e31 342c 2d34 463.58C720.14,-4\n-0000f6c0: 3536 2e33 3920 3634 372e 3432 2c2d 3434 56.39 647.42,-44\n-0000f6d0: 312e 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2334 353b 2667 743b 6d6f tools->mo\n-00010400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00010410: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964 _mdlib -->.<g id\n-00010420: 3d22 6564 6765 3131 3122 2063 6c61 7373 =\"edge111\" class\n-00010430: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00010440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010450: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n-00010460: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010470: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n-00010480: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00010490: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000104a0: 6662 6622 2064 3d22 4d31 3132 342e 3338 fbf\" d=\"M1124.38\n-000104b0: 2c2d 3131 3437 2e37 3143 3131 3130 2e33 ,-1147.71C1110.3\n-000104c0: 352c 2d31 3038 312e 3339 2031 3034 342e 5,-1081.39 1044.\n-000104d0: 3033 2c2d 3736 372e 3939 2031 3032 352e 03,-767.99 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3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-000105d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000105e0: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n-000105f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010600: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-00010610: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00010620: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00010630: 6662 6622 2064 3d22 4d31 3133 302e 3533 fbf\" d=\"M1130.53\n-00010640: 2c2d 3131 3437 2e35 3843 3131 3431 2e36 ,-1147.58C1141.6\n-00010650: 372c 2d31 3130 382e 3933 2031 3137 382e 7,-1108.93 1178.\n-00010660: 312c 2d39 3838 2e35 3820 3132 3235 2c2d 1,-988.58 1225,-\n-00010670: 3839 362e 3138 2031 3232 392e 3839 2c2d 896.18 1229.89,-\n-00010680: 3838 362e 3535 2031 3233 362e 332c 2d38 886.55 1236.3,-8\n-00010690: 3736 2e34 3820 3132 3432 2e30 392c 2d38 76.48 1242.09,-8\n-000106a0: 3638 2e30 3522 2f3e 0a3c 706f 6c79 676f 68.05\"/>.<polygo\n-000106b0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-000106c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000106d0: 2220 706f 696e 7473 3d22 3132 3435 2e31 \" points=\"1245.1\n-000106e0: 332c 2d38 3639 2e38 3120 3132 3438 2e30 3,-869.81 1248.0\n-000106f0: 342c 2d38 3539 2e36 3220 3132 3339 2e34 4,-859.62 1239.4\n-00010700: 312c 2d38 3635 2e37 3720 3132 3435 2e31 1,-865.77 1245.1\n-00010710: 332c 2d38 3639 2e38 3122 2f3e 0a3c 2f67 3,-869.81\"/>.</g\n-00010720: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00010730: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n-00010740: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00010750: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00010760: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-00010770: 6531 3130 2220 636c 6173 733d 2265 6467 e110\" class=\"edg\n-00010780: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00010790: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-000107a0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-000107b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-000107c0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib..\n-00010900: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n-000109e0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-000109f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00010a00: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft......module_src_grom\n-00010de0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-00010df0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010e00: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald......m\n-00010fe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010ff0: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n-00011000: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011010: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n-00011020: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n-000111a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000111b0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-000111c0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000111d0: 3931 342e 3237 2c2d 3335 352e 3533 2039 914.27,-355.53 9\n-000111e0: 3233 2e33 392c 2d33 3530 2e31 3320 3931 23.39,-350.13 91\n-000111f0: 322e 392c 2d33 3438 2e36 3620 3931 342e 2.9,-348.66 914.\n-00011200: 3237 2c2d 3335 352e 3533 222f 3e0a 3c2f 27,-355.53\"/>....modu\n-00011280: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00011290: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-000112a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000112b0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n-000112c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000112d0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-000112e0: 7374 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3e0a 3c2f 673e .38,-619\"/>.</g>\n-00011680: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00011690: 5f67 726f 6d61 6373 5f73 696d 6420 2d2d _gromacs_simd --\n-000116a0: 3e0a 3c67 2069 643d 226e 6f64 6532 3122 >.<g id=\"node21\"\n-000116b0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n-000116c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000116d0: 5f67 726f 6d61 6373 5f73 696d 643c 2f74 _gromacs_simd</t\n-000116e0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n-000116f0: 6f64 6532 3122 3e3c 6120 786c 696e 6b3a ode21\"><a xlink:\n-00011700: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n-00011710: 756c 655f 5f73 696d 642e 7868 746d 6c22 ule__simd.xhtml\"\n-00011720: 2074 6172 6765 743d 225f 746f 7022 2078 target=\"_top\" x\n-00011730: 6c69 6e6b 3a74 6974 6c65 3d22 7369 6d64 link:title=\"simd\n-00011740: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n-00011750: 3d22 2366 6665 3463 6322 2073 7472 6f6b 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module_src_groma\n-00011840: 6373 5f6d 6472 756e 7574 696c 6974 7920 cs_mdrunutility \n-00011850: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00011860: 3138 2220 636c 6173 733d 2265 6467 6522 18\" class=\"edge\"\n-00011870: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00011880: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00011890: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-000118a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000118b0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n-000118c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000118d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000118e0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-000118f0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00011900: 224d 3133 3134 2e33 332c 2d32 3331 2e35 \"M1314.33,-231.5\n-00011910: 3543 3133 3138 2e32 312c 2d32 3431 2e31 5C1318.21,-241.1\n-00011920: 3920 3133 3233 2e32 352c 2d32 3534 2e39 9 1323.25,-254.9\n-00011930: 3520 3133 3236 2c2d 3236 372e 3438 2031 5 1326,-267.48 1\n-00011940: 3334 362e 3537 2c2d 3336 312e 3037 2031 346.57,-361.07 1\n-00011950: 3334 362e 3335 2c2d 3339 312e 3133 2031 346.35,-391.13 1\n-00011960: 3331 392c 2d34 3832 2e39 3620 3132 3631 319,-482.96 1261\n-00011970: 2e30 332c 2d36 3737 2e36 3320 3131 3937 .03,-677.63 1197\n-00011980: 2e37 372c 2d37 3130 2e30 3120 3130 3631 .77,-710.01 1061\n-00011990: 2c2d 3836 302e 3138 2031 3034 352e 3132 ,-860.18 1045.12\n-000119a0: 2c2d 3837 372e 3632 2031 3033 372e 3536 ,-877.62 1037.56\n-000119b0: 2c2d 3837 382e 3435 2031 3032 322c 2d38 ,-878.45 1022,-8\n-000119c0: 3936 2e31 3820 3130 3132 2e33 352c 2d39 96.18 1012.35,-9\n-000119d0: 3037 2e31 3720 3130 3133 2e34 362c 2d39 07.17 1013.46,-9\n-000119e0: 3132 2e38 3320 3130 3033 2c2d 3932 332e 12.83 1003,-923.\n-000119f0: 3035 2039 3930 2e33 362c 2d39 3335 2e34 05 990.36,-935.4\n-00011a00: 2039 3734 2e31 392c 2d39 3436 2e36 2039 974.19,-946.6 9\n-00011a10: 3630 2e33 372c 2d39 3535 2e31 3122 2f3e 60.37,-955.11\"/>\n-00011a20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00011a30: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00011a40: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00011a50: 3d22 3935 382e 3438 2c2d 3935 322e 3137 =\"958.48,-952.17\n-00011a60: 2039 3531 2e36 392c 2d39 3630 2e33 3120 951.69,-960.31 \n-00011a70: 3936 322e 3037 2c2d 3935 382e 3138 2039 962.07,-958.18 9\n-00011a80: 3538 2e34 382c 2d39 3532 2e31 3722 2f3e 58.48,-952.17\"/>\n-00011a90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00011aa0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00011ab0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-00011ac0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011ad0: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e _commandline -->\n-00011ae0: 0a3c 6720 6964 3d22 6564 6765 3131 3522 .<g id=\"edge115\"\n-00011af0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00011b00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00011b10: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-00011b20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011b30: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-00011b40: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-00011b50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00011d20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011d30: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-00011d40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00011d50: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00011d60: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->..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: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-00011dd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-00011f20: 6720 6964 3d22 6564 6765 3131 3722 2063 g id=\"edge117\" c\n-00011f30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.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 6c69 623c c_gromacs_mdlib<\n-00011f80: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n-00012090: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n-00012110: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n-00012120: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00012130: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio.....\n-000122e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000122f0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-00012300: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-00012310: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00012320: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec...\n-00012470: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-000124e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-000124f0: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n-00012500: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012510: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n-00012520: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-00012620: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00012690: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000126a0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000126b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-000126c0: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md....<\n-00012840: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00012850: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00012860: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00012870: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00012880: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->..mo\n-000128b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000128c0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-000128d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000128e0: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n-000128f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00012900: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00012910: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00012920: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00012930: 2064 3d22 4d31 3031 322e 3234 2c2d 3637 d=\"M1012.24,-67\n-00012940: 312e 3332 4331 3030 352e 3739 2c2d 3638 1.32C1005.79,-68\n-00012950: 302e 3739 2039 3937 2e32 382c 2d36 3934 0.79 997.28,-694\n-00012960: 2e34 3820 3939 322c 2d37 3037 2e35 3720 .48 992,-707.57 \n-00012970: 3938 392e 372c 2d37 3133 2e32 3720 3935 989.7,-713.27 95\n-00012980: 302e 3532 2c2d 3838 352e 3439 2039 3336 0.52,-885.49 936\n-00012990: 2e31 392c 2d39 3438 2e36 222f 3e0a 3c70 .19,-948.6\"/>.<p\n-000129a0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-000129b0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-000129c0: 3832 6663 6322 2070 6f69 6e74 733d 2239 82fcc\" points=\"9\n-000129d0: 3332 2e36 392c 2d39 3438 2e32 2039 3333 32.69,-948.2 933\n-000129e0: 2e38 392c 2d39 3538 2e37 3320 3933 392e .89,-958.73 939.\n-000129f0: 3532 2c2d 3934 392e 3735 2039 3332 2e36 52,-949.75 932.6\n-00012a00: 392c 2d39 3438 2e32 222f 3e0a 3c2f 673e 9,-948.2\"/>.</g>\n-00012a10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00012a20: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-00012a30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00012a40: 635f 6772 6f6d 6163 735f 7461 626c 6573 c_gromacs_tables\n-00012a50: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00012a60: 3132 3622 2063 6c61 7373 3d22 6564 6765 126\" class=\"edge\n-00012a70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00012a80: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00012a90: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00012aa0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-00012ab0: 626c 6573 3c2f 7469 746c 653e 0a3c 7061 bles......module_src_grom\n-00012c60: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-00012c70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00012c80: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-00012c90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-00012d70: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-00012d80: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-00012d90: 636b 2220 706f 696e 7473 3d22 3133 3130 ck\" points=\"1310\n-00012da0: 2e32 352c 2d39 3035 2e34 2031 3332 302e .25,-905.4 1320.\n-00012db0: 3733 2c2d 3930 332e 3833 2031 3331 312e 73,-903.83 1311.\n-00012dc0: 3536 2c2d 3839 382e 3532 2031 3331 302e 56,-898.52 1310.\n-00012dd0: 3235 2c2d 3930 352e 3422 2f3e 0a3c 2f67 25,-905.4\"/>....modu\n-00012e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00012e60: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-00012e70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012e80: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00012e90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-00012f60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-00012fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012fe0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00012ff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013000: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n-00013010: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00013020: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00013030: 6662 6662 6622 2064 3d22 4d31 3034 382e fbfbf\" d=\"M1048.\n-00013040: 3732 2c2d 3635 352e 3337 4331 3133 332e 72,-655.37C1133.\n-00013050: 3835 2c2d 3634 392e 3836 2031 3339 392e 85,-649.86 1399.\n-00013060: 3033 2c2d 3633 312e 3920 3136 3138 2c2d 03,-631.9 1618,-\n-00013070: 3630 382e 3720 3136 3333 2e37 322c 2d36 608.7 1633.72,-6\n-00013080: 3037 2e30 3320 3136 3530 2e38 372c 2d36 07.03 1650.87,-6\n-00013090: 3034 2e38 3920 3136 3636 2e32 312c 2d36 04.89 1666.21,-6\n-000130a0: 3032 2e38 3522 2f3e 0a3c 706f 6c79 676f 02.85\"/>.<polygo\n-000130b0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-000130c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000130d0: 2220 706f 696e 7473 3d22 3136 3637 2e30 \" points=\"1667.0\n-000130e0: 372c 2d36 3036 2e32 3720 3136 3736 2e35 7,-606.27 1676.5\n-000130f0: 312c 2d36 3031 2e34 3720 3136 3636 2e31 1,-601.47 1666.1\n-00013100: 332c 2d35 3939 2e33 3320 3136 3637 2e30 3,-599.33 1667.0\n-00013110: 372c 2d36 3036 2e32 3722 2f3e 0a3c 2f67 7,-606.27\"/>.</g\n-00013120: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00013130: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00013140: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00013150: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n-00013160: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467 n -->.<g id=\"edg\n-00013170: 6531 3337 2220 636c 6173 733d 2265 6467 e137\" class=\"edg\n-00013180: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00013190: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000131a0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000131b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000131c0: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan......module_src_gr\n-000133c0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-000133d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000133e0: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm......module\n-00013540: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n-00013550: 656e 7469 616c 6479 6e61 6d69 6373 3c2f entialdynamics</\n-00013560: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-00013570: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00013580: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00013590: 3d22 3639 3122 2063 793d 222d 3135 352e =\"691\" cy=\"-155.\n-000135a0: 3138 2220 7278 3d22 3639 2e30 3922 2072 18\" rx=\"69.09\" r\n-000135b0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-000135c0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-000135d0: 6964 646c 6522 2078 3d22 3639 3122 2079 iddle\" x=\"691\" y\n-000135e0: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d =\"-152.68\" font-\n-000135f0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-00013600: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-00013610: 3030 223e 6573 7365 6e74 6961 6c64 796e 00\">essentialdyn\n-00013620: 616d 6963 733c 2f74 6578 743e 0a3c 2f67 amics</text>.</g\n-00013630: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00013640: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00013650: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00013660: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-00013670: 7469 616c 6479 6e61 6d69 6373 202d 2d3e tialdynamics -->\n-00013680: 0a3c 6720 6964 3d22 6564 6765 3133 3422 .<g id=\"edge134\"\n-00013690: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-000136a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000136b0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-000136c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000136d0: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n-000136e0: 6961 6c64 796e 616d 6963 733c 2f74 6974 ialdynamics</tit\n-000136f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00013700: 6e6f 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e\">.<title>modul\n-000138d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000138e0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000138f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00013900: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio.....\n-00013a60: 3c67 2069 643d 2265 6467 6531 3332 2220 .module_src_\n-00013a90: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-00013aa0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00013ab0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-00013ac0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n-00013c60: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-00013c70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013c80: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib..\n-00013d50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-00013dc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-00013e30: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00013e40: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00013e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-00013e60: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-00013e70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-00014030: 0a3c 6720 6964 3d22 6564 6765 3132 3022 ..<\n-00014050: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00014060: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-00014070: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00014080: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-00014090: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......m\n-00014270: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014280: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-00014290: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000142a0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-000142b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path 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2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-000143b0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-000143c0: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n-000143d0: 6467 6531 3235 2220 636c 6173 733d 2265 dge125\" class=\"e\n-000143e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000143f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00014400: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00014410: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014420: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random.\n-00014430: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+0000bca0: 0a3c 6720 6964 3d22 6e6f 6465 3337 2220 ..module_src_\n+0000bcd0: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft..ff\n+0000bd90: 743c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 t...\n+0000bde0: 3c67 2069 643d 2265 6467 6535 3422 2063 .module_src_g\n+0000be10: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0000be20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000be30: 5f67 726f 6d61 6373 5f66 6674 3c2f 7469 _gromacs_fft..\n+0000bf90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ..\n+0000c230: 0a3c 6720 6964 3d22 6564 6765 3533 2220 ..module_src_\n+0000c260: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0000c270: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000c280: 635f 6772 6f6d 6163 735f 636f 7272 656c c_gromacs_correl\n+0000c290: 6174 696f 6e66 756e 6374 696f 6e73 3c2f ationfunctions....\n+0000c3a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+0000c410: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000c420: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0000c430: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+0000c440: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom.\n+0000c580: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0000c5f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+0000c850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c860: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0000c870: 735f 6177 683c 2f74 6974 6c65 3e0a 3c67 s_awh.<\n+0000c890: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+0000c8a0: 6f75 705f 5f6d 6f64 756c 655f 5f61 7768 oup__module__awh\n+0000c8b0: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n+0000c8c0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n+0000c8d0: 653d 2261 7768 223e 0a3c 656c 6c69 7073 e=\"awh\">..awh......module_src_grom\n+0000ca20: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0000ca30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000ca40: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0000ca50: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+0000ca60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+0000cb10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000cb20: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000cb30: 3238 3266 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6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+0000d370: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils...\n+0000d480: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0000d690: 3c67 2069 643d 226e 6f64 6531 3322 2063 .module_src_g\n+0000d6c0: 726f 6d61 6373 5f74 6f70 6f6c 6f67 793c romacs_topology<\n+0000d6d0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>..topology<\n+0000d790: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>...\n+0000d800: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000d810: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n+0000d820: 6f67 7926 2334 353b 2667 743b 6d6f 6475 ogy->modu\n+0000d830: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000d840: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0000d850: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000d860: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000d870: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000d880: 6179 3d22 352c 3222 2064 3d22 4d31 3236 ay=\"5,2\" d=\"M126\n+0000d890: 322e 3834 2c2d 3737 382e 3135 4331 3138 2.84,-778.15C118\n+0000d8a0: 342e 3038 2c2d 3736 372e 3235 2039 3839 4.08,-767.25 989\n+0000d8b0: 2e37 382c 2d37 3430 2e33 3720 3930 312e .78,-740.37 901.\n+0000d8c0: 372c 2d37 3238 2e31 3922 2f3e 0a3c 706f 7,-728.19\"/>....\n+0000d960: 3c67 2069 643d 226e 6f64 6535 3022 2063 .module_src_t\n+0000d990: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n+0000d9a0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3530 ...testutils\n+0000dac0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......mod\n+0000db40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000db50: 746f 706f 6c6f 6779 2623 3435 3b26 6774 topology->\n+0000db60: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n+0000db70: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils.....\n+0000dcd0: 3c67 2069 643d 226e 6f64 6531 3422 2063 .module_src_g\n+0000dd00: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil..pbcutil..\n+0000de20: 0a3c 6720 6964 3d22 6564 6765 3733 2220 ..module_src_\n+0000de50: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n+0000de60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000de70: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0000de80: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils..\n+0000df60: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n+0000df90: 0a3c 6720 6964 3d22 6e6f 6465 3135 2220 ..module_src_\n+0000dfc0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000dfd0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+0000dfe0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+0000dff0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+0000e000: 6c61 636b 2220 6378 3d22 3136 3835 2220 lack\" cx=\"1685\" \n+0000e010: 6379 3d22 2d32 3830 2e39 3222 2072 783d cy=\"-280.92\" rx=\n+0000e020: 2235 362e 3634 2220 7279 3d22 3133 2e33 \"56.64\" ry=\"13.3\n+0000e030: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.ap\n+0000e090: 706c 6965 645f 666f 7263 6573 3c2f 7465 plied_forces....\n+0000e120: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e130: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0000e140: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000e150: 5f73 7263 5f70 726f 6772 616d 735f 6d64 _src_programs_md\n+0000e160: 7275 6e5f 7465 7374 733c 2f74 6974 6c65 run_tests</title\n+0000e170: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000e180: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+0000e190: 2064 3d22 4d31 3733 352e 3538 2c2d 3237 d=\"M1735.58,-27\n+0000e1a0: 342e 3839 4331 3735 382e 3539 2c2d 3237 4.89C1758.59,-27\n+0000e1b0: 322e 3632 2031 3738 362e 3137 2c2d 3236 2.62 1786.17,-26\n+0000e1c0: 392e 3920 3138 3131 2c2d 3236 372e 3438 9.9 1811,-267.48\n+0000e1d0: 2031 3937 372e 3635 2c2d 3235 312e 3236 1977.65,-251.26\n+0000e1e0: 2032 3031 392e 372c 2d32 3530 2e39 3420 2019.7,-250.94 \n+0000e1f0: 3231 3836 2c2d 3233 312e 3438 2032 3139 2186,-231.48 219\n+0000e200: 322e 3533 2c2d 3233 302e 3732 2032 3139 2.53,-230.72 219\n+0000e210: 392e 3331 2c2d 3232 392e 3837 2032 3230 9.31,-229.87 220\n+0000e220: 362e 312c 2d32 3238 2e39 3922 2f3e 0a3c 6.1,-228.99\"/>.<\n+0000e230: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0000e240: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0000e250: 706f 696e 7473 3d22 3232 3036 2e35 362c points=\"2206.56,\n+0000e260: 2d32 3332 2e34 3620 3232 3136 2e30 312c -232.46 2216.01,\n+0000e270: 2d32 3237 2e36 3920 3232 3035 2e36 342c -227.69 2205.64,\n+0000e280: 2d32 3235 2e35 3220 3232 3036 2e35 362c -225.52 2206.56,\n+0000e290: 2d32 3332 2e34 3622 2f3e 0a3c 2f67 3e0a -232.46\"/>.</g>.\n+0000e2a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000e2b0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000e2c0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0000e2d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e2e0: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n+0000e2f0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3833 ->.<g id=\"edge83\n+0000e300: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000e310: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000e320: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+0000e330: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+0000e340: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e350: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0000e360: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000e470: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+0000e4e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+0000e560: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000e570: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0000e580: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000e590: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0000e5a0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine....\n+0000e750: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+0000e7d0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0000e7e0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+0000e7f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000e800: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0000e810: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000e820: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0000e830: 2220 643d 224d 3136 3738 2e33 332c 2d32 \" d=\"M1678.33,-2\n+0000e840: 3934 2e32 3743 3136 3730 2e31 382c 2d33 94.27C1670.18,-3\n+0000e850: 3039 2e32 3720 3136 3535 2e38 392c 2d33 09.27 1655.89,-3\n+0000e860: 3335 2e32 3820 3136 3433 2c2d 3335 372e 35.28 1643,-357.\n+0000e870: 3232 2031 3630 302e 3138 2c2d 3433 302e 22 1600.18,-430.\n+0000e880: 3039 2031 3537 382e 3836 2c2d 3434 322e 09 1578.86,-442.\n+0000e890: 3433 2031 3534 332c 2d35 3138 2e39 3620 43 1543,-518.96 \n+0000e8a0: 3135 3235 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666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0000ea60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ea70: 735f 6d64 7370 616e 3c2f 7469 746c 653e s_mdspan\n+0000ea80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+0000ede0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000edf0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000ee00: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0000ee10: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio..\n+0000eee0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n+0000efd0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0000efe0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0000eff0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000f000: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n+0000f010: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f020: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" 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6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f120: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+0000f130: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000f140: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0000f150: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+0000f160: 6538 3122 2063 6c61 7373 3d22 6564 6765 e81\" class=\"edge\n+0000f170: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000f180: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+0000f190: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n+0000f1a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000f1b0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+0000f1c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000f1d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000f1e0: 2362 6662 6662 6622 2064 3d22 4d31 3637 #bfbfbf\" d=\"M167\n+0000f1f0: 342e 3036 2c2d 3236 372e 3437 4331 3635 4.06,-267.47C165\n+0000f200: 392e 3439 2c2d 3235 312e 3433 2031 3633 9.49,-251.43 163\n+0000f210: 322e 3337 2c2d 3232 332e 3339 2031 3630 2.37,-223.39 160\n+0000f220: 352c 2d32 3034 2e36 3120 3135 3531 2e37 5,-204.61 1551.7\n+0000f230: 352c 2d31 3638 2e30 3820 3135 3336 2e34 5,-168.08 1536.4\n+0000f240: 372c 2d31 3538 2e31 3220 3134 3734 2c2d 7,-158.12 1474,-\n+0000f250: 3134 312e 3734 2031 3334 302e 3832 2c2d 141.74 1340.82,-\n+0000f260: 3130 362e 3832 2039 3133 2e32 352c 2d39 106.82 913.25,-9\n+0000f270: 362e 3433 2037 3737 2e30 382c 2d39 332e 6.43 777.08,-93.\n+0000f280: 3936 222f 3e0a 3c70 6f6c 7967 6f6e 2066 96\"/>.<polygon f\n+0000f290: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000f2a0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000f2b0: 6f69 6e74 733d 2237 3737 2e31 2c2d 3930 oints=\"777.1,-90\n+0000f2c0: 2e34 3620 3736 372e 3034 2c2d 3933 2e37 .46 767.04,-93.7\n+0000f2d0: 3920 3737 362e 3937 2c2d 3937 2e34 3620 9 776.97,-97.46 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.92,-45.52\"/>.</\n+0000f4b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000f4c0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0000f4d0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0000f4e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000f4f0: 6d61 6373 5f6f 7074 696f 6e73 202d 2d3e macs_options -->\n+0000f500: 0a3c 6720 6964 3d22 6564 6765 3737 2220 .<g id=\"edge77\" \n+0000f510: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0000f520: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000f530: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000f540: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0000f550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f560: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n+0000f570: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000f580: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+0000f590: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n+0000f5a0: 7261 793d 2235 2c32 2220 643d 224d 3137 ray=\"5,2\" d=\"M17\n+0000f5b0: 3237 2e35 342c 2d32 3732 2e30 3243 3137 27.54,-272.02C17\n+0000f5c0: 3931 2e32 382c 2d32 3630 2e31 3920 3139 91.28,-260.19 19\n+0000f5d0: 3130 2e37 312c 2d32 3338 2e30 3320 3139 10.71,-238.03 19\n+0000f5e0: 3732 2e39 362c 2d32 3236 2e34 3822 2f3e 72.96,-226.48\"/>\n+0000f5f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000f600: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+0000f610: 6c61 636b 2220 706f 696e 7473 3d22 3139 lack\" points=\"19\n+0000f620: 3733 2e39 372c 2d32 3239 2e38 3520 3139 73.97,-229.85 19\n+0000f630: 3833 2e31 372c 2d32 3234 2e35 3820 3139 83.17,-224.58 19\n+0000f640: 3732 2e37 2c2d 3232 322e 3937 2031 3937 72.7,-222.97 197\n+0000f650: 332e 3937 2c2d 3232 392e 3835 222f 3e0a 3.97,-229.85\"/>.\n+0000f660: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000f670: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+0000f680: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n+0000f690: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000f6a0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000f6b0: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22 cess -->.<g id=\"\n+0000f6c0: 6564 6765 3834 2220 636c 6173 733d 2265 edge84\" class=\"e\n+0000f6d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0000f6e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f6f0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0000f700: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f710: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+0000f720: 7072 6f63 6573 733c 2f74 6974 6c65 3e0a process.\n+0000f730: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0000f830: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+0000f910: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000f920: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0000f930: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0000f940: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000f950: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n+0000f960: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000f970: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000f980: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000f990: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000f9a0: 4d31 3637 322e 3138 2c2d 3236 372e 3639 M1672.18,-267.69\n+0000f9b0: 4331 3635 322e 3632 2c2d 3234 392e 3935 C1652.62,-249.95\n+0000f9c0: 2031 3631 332e 3333 2c2d 3231 372e 3734 1613.33,-217.74\n+0000f9d0: 2031 3537 332c 2d32 3034 2e36 3120 3133 1573,-204.61 13\n+0000f9e0: 3730 2c2d 3133 382e 3533 2038 3235 2e30 70,-138.53 825.0\n+0000f9f0: 312c 2d31 3933 2e36 3820 3631 332c 2d31 1,-193.68 613,-1\n+0000fa00: 3638 2e36 3120 3630 342e 3135 2c2d 3136 68.61 604.15,-16\n+0000fa10: 372e 3536 2035 3934 2e36 372c 2d31 3635 7.56 594.67,-165\n+0000fa20: 2e39 3320 3538 352e 3836 2c2d 3136 342e .93 585.86,-164.\n+0000fa30: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066 19\"/>.<polygon f\n+0000fa40: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0000fa50: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0000fa60: 6f69 6e74 733d 2235 3836 2e33 392c 2d31 oints=\"586.39,-1\n+0000fa70: 3630 2e37 3220 3537 352e 3839 2c2d 3136 60.72 575.89,-16\n+0000fa80: 322e 3132 2035 3834 2e39 372c 2d31 3637 2.12 584.97,-167\n+0000fa90: 2e35 3820 3538 362e 3339 2c2d 3136 302e .58 586.39,-160.\n+0000faa0: 3732 222f 3e0a 3c2f 673e 0a3c 212d 2d20 72\"/>.</g>.<!-- \n+0000fab0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000fac0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0000fad0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000fae0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+0000faf0: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n+0000fb00: 6467 6537 3822 2063 6c61 7373 3d22 6564 dge78\" class=\"ed\n+0000fb10: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000fb20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000fb30: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000fb40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000fb50: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n+0000fb60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000fb70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000fb80: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+0000fb90: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000fba0: 643d 224d 3136 3537 2e34 372c 2d32 3639 d=\"M1657.47,-269\n+0000fbb0: 2e31 3743 3136 3330 2e37 312c 2d32 3538 .17C1630.71,-258\n+0000fbc0: 2e37 3320 3135 3930 2e30 362c 2d32 3432 .73 1590.06,-242\n+0000fbd0: 2e38 3720 3135 3631 2e36 382c 2d32 3331 .87 1561.68,-231\n+0000fbe0: 2e38 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .8\"/>.<polygon f\n+0000fbf0: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n+0000fc00: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n+0000fc10: 733d 2231 3536 322e 3738 2c2d 3232 382e s=\"1562.78,-228.\n+0000fc20: 3437 2031 3535 322e 3139 2c2d 3232 382e 47 1552.19,-228.\n+0000fc30: 3039 2031 3536 302e 3233 2c2d 3233 342e 09 1560.23,-234.\n+0000fc40: 3939 2031 3536 322e 3738 2c2d 3232 382e 99 1562.78,-228.\n+0000fc50: 3437 222f 3e0a 3c2f 673e 0a3c 212d 2d20 47\"/>.</g>.<!-- \n+0000fc60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000fc70: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0000fc80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000fc90: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000fca0: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265 pat -->.<g id=\"e\n+0000fcb0: 6467 6537 3922 2063 6c61 7373 3d22 6564 dge79\" class=\"ed\n+0000fcc0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000fcd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000fce0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000fcf0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000fd00: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n+0000fd10: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000fd20: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000fd30: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0000fd40: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0000fd50: 2220 643d 224d 3136 3334 2e38 2c2d 3237 \" d=\"M1634.8,-27\n+0000fd60: 342e 3635 4331 3532 322e 3635 2c2d 3236 4.65C1522.65,-26\n+0000fd70: 322e 3838 2031 3235 332e 3431 2c2d 3233 2.88 1253.41,-23\n+0000fd80: 342e 3632 2031 3134 382e 3138 2c2d 3232 4.62 1148.18,-22\n+0000fd90: 332e 3538 222f 3e0a 3c70 6f6c 7967 6f6e 3.58\"/>.<polygon\n+0000fda0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+0000fdb0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+0000fdc0: 2070 6f69 6e74 733d 2231 3134 382e 3234 points=\"1148.24\n+0000fdd0: 2c2d 3232 302e 3036 2031 3133 372e 3933 ,-220.06 1137.93\n+0000fde0: 2c2d 3232 322e 3520 3131 3437 2e35 312c ,-222.5 1147.51,\n+0000fdf0: 2d32 3237 2e30 3320 3131 3438 2e32 342c -227.03 1148.24,\n+0000fe00: 2d32 3230 2e30 3622 2f3e 0a3c 2f67 3e0a -220.06\"/>.</g>.\n+0000fe10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000fe20: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+0000fe30: 6e20 2d2d 3e0a 3c67 2069 643d 226e 6f64 n -->.<g id=\"nod\n+0000fe40: 6531 3622 2063 6c61 7373 3d22 6e6f 6465 e16\" class=\"node\n+0000fe50: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000fe60: 5f73 7263 5f67 726f 6d61 6373 5f73 656c _src_gromacs_sel\n+0000fe70: 6563 7469 6f6e 3c2f 7469 746c 653e 0a3c ection.<\n+0000fe80: 6720 6964 3d22 615f 6e6f 6465 3136 223e g id=\"a_node16\">\n+0000fe90: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..selection...<\n+0000ffb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+00010030: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+00010040: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00010050: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n+00010060: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+00010230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+000102a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000102b0: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+000102c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000102d0: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n+000102e0: 6c70 3c2f 7469 746c 653e 0a3c 7061 7468 lp....\n+00010410: 0a3c 6720 6964 3d22 6564 6765 3931 2220 ..module_src_\n+00010440: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+00010450: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00010460: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+00010470: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom...\n+000105f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n+00010640: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010650: 735f 6c69 6e65 6172 616c 6765 6272 613c s_linearalgebra<\n+00010660: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+00010670: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00010680: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00010690: 783d 2231 3637 3822 2063 793d 222d 3131 x=\"1678\" cy=\"-11\n+000106a0: 3631 2e31 2220 7278 3d22 3530 2e34 3122 61.1\" rx=\"50.41\"\n+000106b0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+000106c0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+000106d0: 226d 6964 646c 6522 2078 3d22 3136 3738 \"middle\" x=\"1678\n+000106e0: 2220 793d 222d 3131 3538 2e36 2220 666f \" y=\"-1158.6\" fo\n+000106f0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00010700: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00010710: 3130 2e30 3022 3e6c 696e 6561 7261 6c67 10.00\">linearalg\n+00010720: 6562 7261 3c2f 7465 7874 3e0a 3c2f 673e ebra</text>.</g>\n+00010730: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00010740: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+00010750: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00010760: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00010770: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+00010780: 6539 3422 2063 6c61 7373 3d22 6564 6765 e94\" class=\"edge\n+00010790: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+000107a0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+000107b0: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n+000107c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000107d0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.....\n+00010940: 3c67 2069 643d 2265 6467 6539 3622 2063 .module_src_g\n+00010970: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n+00010980: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00010990: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib......module_src_grom\n+00010b20: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n+00010b30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00010b40: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec..<\n+00010bd0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00010be0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00010bf0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00010c00: 3638 352e 3735 2c2d 3431 392e 3820 3637 685.75,-419.8 67\n+00010c10: 352e 3233 2c2d 3431 382e 3531 2036 3832 5.23,-418.51 682\n+00010c20: 2e36 352c 2d34 3236 2e30 3820 3638 352e .65,-426.08 685.\n+00010c30: 3735 2c2d 3431 392e 3822 2f3e 0a3c 2f67 75,-419.8\"/>....module\n+00010cb0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00010cc0: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n+00010cd0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00010ce0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......module_src_gro\n+00010e90: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+00010ea0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00010eb0: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware....\n+00011010: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+000113c0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+000113d0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n+000113e0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+000113f0: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n+00011400: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00011410: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00011420: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00011430: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00011440: 4d37 3736 2e31 2c2d 3438 312e 3938 4337 M776.1,-481.98C7\n+00011450: 3631 2e38 372c 2d34 3931 2e32 3820 3733 61.87,-491.28 73\n+00011460: 392e 3431 2c2d 3530 352e 3038 2037 3231 9.41,-505.08 721\n+00011470: 2c2d 3531 382e 3936 2037 3036 2e37 312c ,-518.96 706.71,\n+00011480: 2d35 3239 2e37 3420 3730 342e 3338 2c2d -529.74 704.38,-\n+00011490: 3533 332e 3934 2036 3931 2c2d 3534 352e 533.94 691,-545.\n+000114a0: 3833 2036 3739 2e35 322c 2d35 3536 2e30 83 679.52,-556.0\n+000114b0: 3320 3636 362e 3634 2c2d 3536 372e 3338 3 666.64,-567.38\n+000114c0: 2036 3535 2e32 382c 2d35 3736 2e35 3222 655.28,-576.52\"\n+000114d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000114e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000114f0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00011500: 7473 3d22 3635 332e 3035 2c2d 3537 332e ts=\"653.05,-573.\n+00011510: 3833 2036 3437 2e33 332c 2d35 3832 2e37 83 647.33,-582.7\n+00011520: 3520 3635 372e 3336 2c2d 3537 392e 3334 5 657.36,-579.34\n+00011530: 2036 3533 2e30 352c 2d35 3733 2e38 3322 653.05,-573.83\"\n+00011540: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00011550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011560: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00011570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011580: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e _commandline -->\n+00011590: 0a3c 6720 6964 3d22 6564 6765 3130 3022 .<g id=\"edge100\"\n+000115a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+000115b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000115c0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+000115d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000115e0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+000115f0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline....\n+00011790: 0a3c 6720 6964 3d22 6564 6765 3130 3422 ..<\n+000117b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000117c0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+000117d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000117e0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+000117f0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n+00011930: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+000119a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000119b0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+000119c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000119d0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+000119e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000119f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00011a00: 6662 6662 6622 2064 3d22 4d31 3135 332e fbfbf\" d=\"M1153.\n+00011a10: 3131 2c2d 3131 3537 2e33 3843 3132 3636 11,-1157.38C1266\n+00011a20: 2e37 332c 2d31 3134 342e 3937 2031 3731 .73,-1144.97 171\n+00011a30: 362e 3337 2c2d 3130 3839 2e38 3320 3138 6.37,-1089.83 18\n+00011a40: 3033 2c2d 3938 352e 3932 2031 3839 372e 03,-985.92 1897.\n+00011a50: 3238 2c2d 3837 322e 3833 2031 3737 332e 28,-872.83 1773.\n+00011a60: 362c 2d36 3739 2e37 3120 3137 3238 2e33 6,-679.71 1728.3\n+00011a70: 372c 2d36 3136 2e37 3622 2f3e 0a3c 706f 7,-616.76\"/>.<po\n+00011a80: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+00011a90: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+00011aa0: 6266 6266 2220 706f 696e 7473 3d22 3137 bfbf\" points=\"17\n+00011ab0: 3331 2e30 322c 2d36 3134 2e34 3620 3137 31.02,-614.46 17\n+00011ac0: 3232 2e33 2c2d 3630 382e 3434 2031 3732 22.3,-608.44 172\n+00011ad0: 352e 3337 2c2d 3631 382e 3538 2031 3733 5.37,-618.58 173\n+00011ae0: 312e 3032 2c2d 3631 342e 3436 222f 3e0a 1.02,-614.46\"/>.\n+00011af0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00011b00: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00011b10: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00011b20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00011b30: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+00011b40: 6467 6531 3131 2220 636c 6173 733d 2265 dge111\" class=\"e\n+00011b50: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00011b60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011b70: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00011b80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011b90: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00011ba0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011bb0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00011bc0: 2220 643d 224d 3131 3234 2e33 382c 2d31 \" d=\"M1124.38,-1\n+00011bd0: 3134 372e 3731 4331 3131 302e 3335 2c2d 147.71C1110.35,-\n+00011be0: 3130 3831 2e33 3920 3130 3434 2e30 332c 1081.39 1044.03,\n+00011bf0: 2d37 3637 2e39 3920 3130 3235 2e37 2c2d -767.99 1025.7,-\n+00011c00: 3638 312e 3337 222f 3e0a 3c70 6f6c 7967 681.37\"/>.....modu\n+00011cf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00011d00: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00011d10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011d20: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+00011d30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011d40: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00011d50: 2220 643d 224d 3131 3330 2e35 332c 2d31 \" d=\"M1130.53,-1\n+00011d60: 3134 372e 3538 4331 3134 312e 3637 2c2d 147.58C1141.67,-\n+00011d70: 3131 3038 2e39 3320 3131 3738 2e31 2c2d 1108.93 1178.1,-\n+00011d80: 3938 382e 3538 2031 3232 352c 2d38 3936 988.58 1225,-896\n+00011d90: 2e31 3820 3132 3239 2e38 392c 2d38 3836 .18 1229.89,-886\n+00011da0: 2e35 3520 3132 3336 2e33 2c2d 3837 362e .55 1236.3,-876.\n+00011db0: 3438 2031 3234 322e 3039 2c2d 3836 382e 48 1242.09,-868.\n+00011dc0: 3035 222f 3e0a 3c70 6f6c 7967 6f6e 2066 05\"/>...<\n+00011e40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00011e50: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00011e60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011e70: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n+00011e80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3131 ->.\n+00011ea0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00011eb0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+00011ec0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00011ed0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00011ee0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......\n+000120f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012100: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n+00012110: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012120: 6163 735f 6666 743c 2f74 6974 6c65 3e0a acs_fft.\n+00012130: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+000122e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00012360: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+00012370: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00012380: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00012390: 7373 3c2f 7469 746c 653e 0a3c 7061 7468 ss......modul\n+000124f0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00012500: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+00012510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00012520: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald...\n+00012690: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00012700: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+00012710: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00012720: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00012730: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un....\n+00012970: 0a3c 6720 6964 3d22 6564 6765 3130 3722 ..<\n+00012990: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000129a0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+000129b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000129c0: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+000129d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module\n+00012bc0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00012bd0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00012be0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00012bf0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n+00012c00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00012c10: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00012c20: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00012c30: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00012c40: 224d 3130 3939 2e38 322c 2d31 3135 392e \"M1099.82,-1159.\n+00012c50: 3835 4339 3839 2e32 352c 2d31 3135 382e 85C989.25,-1158.\n+00012c60: 3131 2035 3739 2c2d 3131 3434 2e33 3820 11 579,-1144.38 \n+00012c70: 3537 392c 2d31 3033 362e 3336 2035 3739 579,-1036.36 579\n+00012c80: 2c2d 3130 3336 2e33 3620 3537 392c 2d31 ,-1036.36 579,-1\n+00012c90: 3033 362e 3336 2035 3739 2c2d 3732 302e 036.36 579,-720.\n+00012ca0: 3031 2035 3739 2c2d 3638 312e 3736 2035 01 579,-681.76 5\n+00012cb0: 3939 2e31 382c 2d36 3431 2e31 2036 3133 99.18,-641.1 613\n+00012cc0: 2e33 372c 2d36 3137 2e32 3222 2f3e 0a3c .37,-617.22\"/>.<\n+00012cd0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00012ce0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00012cf0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00012d00: 3631 362e 3338 2c2d 3631 3920 3631 382e 616.38,-619 618.\n+00012d10: 3634 2c2d 3630 382e 3635 2036 3130 2e34 64,-608.65 610.4\n+00012d20: 322c 2d36 3135 2e33 3320 3631 362e 3338 2,-615.33 616.38\n+00012d30: 2c2d 3631 3922 2f3e 0a3c 2f67 3e0a 3c21 ,-619\"/>.</g>.<!\n+00012d40: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012d50: 6f6d 6163 735f 7369 6d64 202d 2d3e 0a3c omacs_simd -->.<\n+00012d60: 6720 6964 3d22 6e6f 6465 3232 2220 636c g id=\"node22\" cl\n+00012d70: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n+00012d80: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00012d90: 6f6d 6163 735f 7369 6d64 3c2f 7469 746c omacs_simd</titl\n+00012da0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+00012db0: 3232 223e 3c61 2078 6c69 6e6b 3a68 7265 22\"><a xlink:hre\n+00012dc0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+00012dd0: 5f5f 7369 6d64 2e78 6874 6d6c 2220 7461 __simd.xhtml\" ta\n+00012de0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+00012df0: 6b3a 7469 746c 653d 2273 696d 6422 3e0a k:title=\"simd\">.\n+00012e00: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n+00012e10: 6666 6534 6363 2220 7374 726f 6b65 3d22 ffe4cc\" stroke=\"\n+00012e20: 626c 6163 6b22 2063 783d 2235 3534 2220 black\" cx=\"554\" \n+00012e30: 6379 3d22 2d31 3136 312e 3122 2072 783d cy=\"-1161.1\" rx=\n+00012e40: 2232 3722 2072 793d 2231 332e 3337 222f \"27\" ry=\"13.37\"/\n+00012e50: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n+00012e60: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n+00012e70: 3535 3422 2079 3d22 2d31 3135 382e 3622 554\" y=\"-1158.6\"\n+00012e80: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+00012e90: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+00012ea0: 653d 2231 302e 3030 223e 7369 6d64 3c2f e=\"10.00\">simd</\n+00012eb0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n+00012ec0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00012ed0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+00012ee0: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n+00012ef0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00012f00: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e mdrunutility -->\n+00012f10: 0a3c 6720 6964 3d22 6564 6765 3131 3822 .<g id=\"edge118\"\n+00012f20: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00012f30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00012f40: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00012f50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00012f60: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00012f70: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+00012f80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+000131d0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+000131e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000131f0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+00013200: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line......module_src_grom\n+00013610: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+00013620: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013630: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib......mo\n+000137c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000137d0: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n+000137e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000137f0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+00013800: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00013810: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00013820: 6266 6266 2220 643d 224d 3133 3233 2e37 bfbf\" d=\"M1323.7\n+00013830: 342c 2d32 3239 2e39 3543 3133 3334 2e33 4,-229.95C1334.3\n+00013840: 332c 2d32 3338 2e37 3520 3133 3437 2e37 3,-238.75 1347.7\n+00013850: 392c 2d32 3532 2e31 3620 3133 3534 2c2d 9,-252.16 1354,-\n+00013860: 3236 372e 3438 2031 3337 362e 3133 2c2d 267.48 1376.13,-\n+00013870: 3332 322e 3035 2031 3339 372c 2d37 3437 322.05 1397,-747\n+00013880: 2e38 3820 3133 3635 2c2d 3739 372e 3331 .88 1365,-797.31\n+00013890: 2031 3334 392e 312c 2d38 3231 2e38 3720 1349.1,-821.87 \n+000138a0: 3133 3137 2e34 382c 2d38 3334 2e30 3920 1317.48,-834.09 \n+000138b0: 3132 3932 2e35 342c 2d38 3430 2e31 3122 1292.54,-840.11\"\n+000138c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000138d0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000138e0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+000138f0: 7473 3d22 3132 3931 2e37 2c2d 3833 362e ts=\"1291.7,-836.\n+00013900: 3731 2031 3238 322e 3637 2c2d 3834 322e 71 1282.67,-842.\n+00013910: 3235 2031 3239 332e 3139 2c2d 3834 332e 25 1293.19,-843.\n+00013920: 3535 2031 3239 312e 372c 2d38 3336 2e37 55 1291.7,-836.7\n+00013930: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n+00013940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013950: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+00013960: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00013970: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a macs_domdec -->.\n+00013980: 3c67 2069 643d 2265 6467 6531 3132 2220 <g id=\"edge112\" \n+00013990: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000139a0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000139b0: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+000139c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000139d0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+000139e0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......module_\n+00013ba0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00013bb0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00013bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00013bd0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.\n+00013c70: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n+00013f70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00013f80: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00013f90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00013fa0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n+00013fb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00013fc0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00013fd0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00013fe0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00013ff0: 224d 3130 3132 2e32 342c 2d36 3731 2e33 \"M1012.24,-671.3\n+00014000: 3243 3130 3035 2e37 392c 2d36 3830 2e37 2C1005.79,-680.7\n+00014010: 3920 3939 372e 3238 2c2d 3639 342e 3438 9 997.28,-694.48\n+00014020: 2039 3932 2c2d 3730 372e 3537 2039 3839 992,-707.57 989\n+00014030: 2e37 2c2d 3731 332e 3237 2039 3530 2e35 .7,-713.27 950.5\n+00014040: 322c 2d38 3835 2e34 3920 3933 362e 3139 2,-885.49 936.19\n+00014050: 2c2d 3934 382e 3622 2f3e 0a3c 706f 6c79 ,-948.6\"/>.<poly\n+00014060: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00014070: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00014080: 6363 2220 706f 696e 7473 3d22 3933 322e cc\" points=\"932.\n+00014090: 3639 2c2d 3934 382e 3220 3933 332e 3839 69,-948.2 933.89\n+000140a0: 2c2d 3935 382e 3733 2039 3339 2e35 322c ,-958.73 939.52,\n+000140b0: 2d39 3439 2e37 3520 3933 322e 3639 2c2d -949.75 932.69,-\n+000140c0: 3934 382e 3222 2f3e 0a3c 2f67 3e0a 3c21 948.2\"/>.</g>.<!\n+000140d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000140e0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+000140f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00014100: 726f 6d61 6373 5f74 6162 6c65 7320 2d2d romacs_tables --\n+00014110: 3e0a 3c67 2069 643d 2265 6467 6531 3236 >.<g id=\"edge126\n+00014120: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00014130: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00014140: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00014150: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014160: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+00014170: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n+000142a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+00014310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014320: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00014330: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014340: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n+00014350: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00014360: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00014370: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n+00014380: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00014390: 224d 3130 3438 2e37 342c 2d36 3631 2e32 \"M1048.74,-661.2\n+000143a0: 3643 3130 3831 2c2d 3636 352e 3136 2031 6C1081,-665.16 1\n+000143b0: 3133 332e 3931 2c2d 3637 362e 3233 2031 133.91,-676.23 1\n+000143c0: 3136 362c 2d37 3037 2e35 3720 3132 3137 166,-707.57 1217\n+000143d0: 2e35 382c 2d37 3537 2e39 3520 3131 3639 .58,-757.95 1169\n+000143e0: 2e33 322c 2d38 3039 2e39 3120 3132 3231 .32,-809.91 1221\n+000143f0: 2c2d 3836 302e 3138 2031 3234 352e 3035 ,-860.18 1245.05\n+00014400: 2c2d 3838 332e 3538 2031 3238 302e 3632 ,-883.58 1280.62\n+00014410: 2c2d 3839 352e 3637 2031 3331 302e 3735 ,-895.67 1310.75\n+00014420: 2c2d 3930 312e 3933 222f 3e0a 3c70 6f6c ,-901.93\"/>.<pol\n+00014430: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b ygon fill=\"black\n 00014440: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n-00014450: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-00014460: 793d 2235 2c32 2220 643d 224d 3130 3439 y=\"5,2\" d=\"M1049\n-00014470: 2e31 322c 2d36 3536 2e32 3143 3131 3433 .12,-656.21C1143\n-00014480: 2e39 382c 2d36 3532 2e38 3120 3134 3438 .98,-652.81 1448\n-00014490: 2e30 322c 2d36 3339 2e35 3820 3134 3738 .02,-639.58 1478\n-000144a0: 2c2d 3630 382e 3720 3135 3330 2e39 372c ,-608.7 1530.97,\n-000144b0: 2d35 3534 2e31 3420 3134 3833 2e32 362c -554.14 1483.26,\n-000144c0: 2d33 3430 2e36 3420 3135 3034 2c2d 3236 -340.64 1504,-26\n-000144d0: 372e 3438 2031 3530 362e 3637 2c2d 3235 7.48 1506.67,-25\n-000144e0: 382e 3036 2031 3531 312e 3237 2c2d 3234 8.06 1511.27,-24\n-000144f0: 382e 3334 2031 3531 352e 382c 2d32 3430 8.34 1515.8,-240\n-00014500: 2e31 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .1\"/>.<polygon f\n-00014510: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n-00014520: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n-00014530: 733d 2231 3531 382e 3936 2c2d 3234 312e s=\"1518.96,-241.\n-00014540: 3632 2031 3532 302e 3937 2c2d 3233 312e 62 1520.97,-231.\n-00014550: 3232 2031 3531 322e 3931 2c2d 3233 382e 22 1512.91,-238.\n-00014560: 3120 3135 3138 2e39 362c 2d32 3431 2e36 1 1518.96,-241.6\n-00014570: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-00014580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014590: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-000145a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000145b0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-000145c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000145d0: 3132 3922 2063 6c61 7373 3d22 6564 6765 129\" class=\"edge\n-000145e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000145f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00014600: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00014610: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-00014620: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n-00014630: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00014640: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00014650: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00014660: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00014670: 224d 3939 332e 362c 2d36 3534 2e31 3243 \"M993.6,-654.12C\n-00014680: 3933 352e 3637 2c2d 3634 362e 3937 2037 935.67,-646.97 7\n-00014690: 3937 2e37 2c2d 3632 382e 3131 2036 3833 97.7,-628.11 683\n-000146a0: 2c2d 3630 382e 3720 3637 392e 3535 2c2d ,-608.7 679.55,-\n-000146b0: 3630 382e 3132 2036 3736 2e30 312c 2d36 608.12 676.01,-6\n-000146c0: 3037 2e35 2036 3732 2e34 352c 2d36 3036 07.5 672.45,-606\n-000146d0: 2e38 3622 2f3e 0a3c 706f 6c79 676f 6e20 .86\"/>.<polygon \n-000146e0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-000146f0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00014700: 706f 696e 7473 3d22 3637 322e 3934 2c2d points=\"672.94,-\n-00014710: 3630 332e 3339 2036 3632 2e34 372c 2d36 603.39 662.47,-6\n-00014720: 3035 2e30 3120 3637 312e 3637 2c2d 3631 05.01 671.67,-61\n-00014730: 302e 3237 2036 3732 2e39 342c 2d36 3033 0.27 672.94,-603\n-00014740: 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .39\"/>.</g>.<!--\n-00014750: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00014760: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-00014770: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00014780: 6d61 6373 5f63 6f6d 7061 7420 2d2d 3e0a macs_compat -->.\n-00014790: 3c67 2069 643d 2265 6467 6531 3234 2220 <g id=\"edge124\" \n-000147a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-000147b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-000147c0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-000147d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000147e0: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n-000147f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00014800: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00014810: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n-00014820: 3034 312e 3632 2c2d 3634 382e 3836 4331 041.62,-648.86C1\n-00014830: 3035 372e 3931 2c2d 3634 312e 3132 2031 057.91,-641.12 1\n-00014840: 3037 392e 3537 2c2d 3632 372e 3835 2031 079.57,-627.85 1\n-00014850: 3039 302c 2d36 3038 2e37 2031 3135 372e 090,-608.7 1157.\n-00014860: 3439 2c2d 3438 342e 3735 2031 3132 352c 49,-484.75 1125,\n-00014870: 2d33 3034 2e32 3620 3131 3130 2e36 322c -304.26 1110.62,\n-00014880: 2d32 3431 2e35 3222 2f3e 0a3c 706f 6c79 -241.52\"/>.<poly\n-00014890: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-000148a0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-000148b0: 6363 2220 706f 696e 7473 3d22 3131 3133 cc\" points=\"1113\n-000148c0: 2e39 362c 2d32 3430 2e34 3620 3131 3038 .96,-240.46 1108\n-000148d0: 2e32 352c 2d32 3331 2e35 3420 3131 3037 .25,-231.54 1107\n-000148e0: 2e31 352c 2d32 3432 2e30 3720 3131 3133 .15,-242.07 1113\n-000148f0: 2e39 362c 2d32 3430 2e34 3622 2f3e 0a3c .96,-240.46\"/>.<\n-00014900: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00014910: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00014920: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00014930: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00014940: 6c69 6564 5f66 6f72 6365 735f 6177 6820 lied_forces_awh \n-00014950: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00014960: 3238 2220 636c 6173 733d 2265 6467 6522 28\" class=\"edge\"\n-00014970: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00014980: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00014990: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-000149a0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000149b0: 6c69 6564 5f66 6f72 6365 735f 6177 683c lied_forces_awh<\n-000149c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000149d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000149e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-000149f0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00014a00: 2220 643d 224d 3130 3236 2e31 372c 2d36 \" d=\"M1026.17,-6\n-00014a10: 3731 2e34 3643 3130 3334 2e31 322c 2d36 71.46C1034.12,-6\n-00014a20: 3838 2e37 3220 3130 3531 2e30 392c 2d37 88.72 1051.09,-7\n-00014a30: 3139 2e36 3320 3130 3736 2c2d 3733 342e 19.63 1076,-734.\n-00014a40: 3434 2031 3037 372e 3736 2c2d 3733 352e 44 1077.76,-735.\n-00014a50: 3439 2031 3331 312e 3934 2c2d 3736 362e 49 1311.94,-766.\n-00014a60: 3234 2031 3430 332e 3139 2c2d 3737 382e 24 1403.19,-778.\n-00014a70: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066 19\"/>.<polygon f\n-00014a80: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00014a90: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00014aa0: 6f69 6e74 733d 2231 3430 322e 3936 2c2d oints=\"1402.96,-\n-00014ab0: 3738 312e 3639 2031 3431 332e 3333 2c2d 781.69 1413.33,-\n-00014ac0: 3737 392e 3532 2031 3430 332e 3837 2c2d 779.52 1403.87,-\n-00014ad0: 3737 342e 3735 2031 3430 322e 3936 2c2d 774.75 1402.96,-\n-00014ae0: 3738 312e 3639 222f 3e0a 3c2f 673e 0a3c 781.69\"/>.</g>.<\n-00014af0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00014b00: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00014b10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014b20: 7465 7374 7574 696c 7320 2d2d 3e0a 3c67 testutils -->.<g\n-00014b30: 2069 643d 2265 6467 6531 3338 2220 636c id=\"edge138\" cl\n-00014b40: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00014b50: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00014b60: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-00014b70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n-00014b80: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n-00014b90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-00014d00: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00014d10: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-00014d20: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n-00014d30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014d40: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00014d50: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....<\n-00014f10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00014f20: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00014f30: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00014f40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00014f50: 6163 735f 636f 6d6d 616e 646c 696e 6520 acs_commandline \n-00014f60: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n-00014f90: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00014fa0: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00014fb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00014fc0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-00014fd0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line..<\n-00015100: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-00015110: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-00015120: 636b 2220 706f 696e 7473 3d22 3133 3038 ck\" points=\"1308\n-00015130: 2e30 362c 2d39 3038 2e31 3520 3133 3138 .06,-908.15 1318\n-00015140: 2e32 392c 2d39 3035 2e33 3820 3133 3038 .29,-905.38 1308\n-00015150: 2e35 372c 2d39 3031 2e31 3720 3133 3038 .57,-901.17 1308\n-00015160: 2e30 362c 2d39 3038 2e31 3522 2f3e 0a3c .06,-908.15\"/>.<\n-00015170: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n-000151f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n-00015200: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n-00015210: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00015220: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00015230: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......m\n-00015430: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015440: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-00015450: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-00015460: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00015470: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib....<\n-000155d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000155e0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-000155f0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00015600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015610: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-00015620: 6720 6964 3d22 6564 6765 3134 3122 2063 g id=\"edge141\" c\n-00015630: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00015650: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00015660: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00015670: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015680: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio......mod\n-00015890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000158a0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-000158b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000158c0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000158d0: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec.\n-00015980: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-000159f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-00015a70: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-00015a80: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-00015a90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015aa0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00015ab0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n-00015b20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n-00015c10: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n-00015c20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00015c30: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00015c40: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......\n-00015de0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00015df0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-00015e00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00015e10: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00015e20: 6c61 746f 723c 2f74 6974 6c65 3e0a 3c70 lator.....<\n-00015fd0: 6720 6964 3d22 6564 6765 3134 3622 2063 g id=\"edge146\" c\n-00015fe0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00016000: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00016010: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00016020: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00016030: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-00016340: 3c67 2069 643d 2265 6467 6531 3438 2220 .module_src_\n-00016370: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00016380: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00016390: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-000163a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-000164c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-000164d0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-000164e0: 706f 696e 7473 3d22 3138 3534 2e34 382c points=\"1854.48,\n-000164f0: 2d32 3331 2e38 3420 3138 3434 2e31 392c -231.84 1844.19,\n-00016500: 2d32 3239 2e33 3620 3138 3530 2e36 392c -229.36 1850.69,\n-00016510: 2d32 3337 2e37 3220 3138 3534 2e34 382c -237.72 1854.48,\n-00016520: 2d32 3331 2e38 3422 2f3e 0a3c 2f67 3e0a -231.84\"/>..\n-00016530: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-000165a0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-000165b0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000165c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-000165d0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.....\n-00016850: 3c67 2069 643d 2265 6467 6531 3530 2220 .module_src_\n-00016880: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00016890: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000168a0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-000168b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00016a60: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n-00016c60: 0a3c 6720 6964 3d22 6564 6765 3135 3422 ..<\n-00016c80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00016c90: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n-00016ca0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00016cb0: 7263 5f74 6573 7475 7469 6c73 3c2f 7469 rc_testutils......module_src_gr\n-00016e60: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-00016e70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00016e80: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd..<\n-00016f90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00016fa0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00016fb0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00016fc0: 3839 332e 3839 2c2d 3130 3338 2e31 3420 893.89,-1038.14 \n-00016fd0: 3930 332e 3838 2c2d 3130 3334 2e36 3220 903.88,-1034.62 \n-00016fe0: 3839 332e 3837 2c2d 3130 3331 2e31 3420 893.87,-1031.14 \n-00016ff0: 3839 332e 3839 2c2d 3130 3338 2e31 3422 893.89,-1038.14\"\n-00017000: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....modul\n-000172e0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-000172f0: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00017300: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017310: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00017320: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....<\n+000144a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000144b0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+000144c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000144d0: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+000144e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n+00014510: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00014520: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00014530: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00014540: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes..\n+000145b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....module\n+00014690: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+000146a0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+000146b0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+000146c0: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n+000146d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+000147e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000147f0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00014800: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014810: 6772 6f6d 6163 735f 6d64 7370 616e 202d gromacs_mdspan -\n+00014820: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.\n+00014840: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00014850: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00014860: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014870: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n+00014880: 616e 3c2f 7469 746c 653e 0a3c 7061 7468 an......\n+00014a70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014a80: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00014a90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00014aa0: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65 acs_nbnxm</title\n+00014ab0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00014ac0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+00014ad0: 2064 3d22 4d39 3933 2c2d 3635 362e 3232 d=\"M993,-656.22\n+00014ae0: 4339 3332 2e30 332c 2d36 3533 2e34 3920 C932.03,-653.49 \n+00014af0: 3739 312e 352c 2d36 3433 2e32 3820 3736 791.5,-643.28 76\n+00014b00: 332c 2d36 3038 2e37 2037 3335 2e34 2c2d 3,-608.7 735.4,-\n+00014b10: 3537 352e 3231 2037 3534 2e38 382c 2d35 575.21 754.88,-5\n+00014b20: 3230 2e37 3220 3737 322e 3038 2c2d 3439 20.72 772.08,-49\n+00014b30: 312e 3137 222f 3e0a 3c70 6f6c 7967 6f6e 1.17\"/>.<polygon\n+00014b40: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00014b50: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+00014b60: 2237 3735 2e31 372c 2d34 3932 2e38 3320 \"775.17,-492.83 \n+00014b70: 3737 372e 3532 2c2d 3438 322e 3531 2037 777.52,-482.51 7\n+00014b80: 3639 2e32 342c 2d34 3839 2e31 3120 3737 69.24,-489.11 77\n+00014b90: 352e 3137 2c2d 3439 322e 3833 222f 3e0a 5.17,-492.83\"/>.\n+00014ba0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00014bb0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+00014bc0: 656e 7469 616c 6479 6e61 6d69 6373 202d entialdynamics -\n+00014bd0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3235 ->.<g id=\"node25\n+00014be0: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+00014bf0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00014c00: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n+00014c10: 6961 6c64 796e 616d 6963 733c 2f74 6974 ialdynamics</tit\n+00014c20: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n+00014c30: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00014c40: 6b65 3d22 626c 6163 6b22 2063 783d 2236 ke=\"black\" cx=\"6\n+00014c50: 3931 2220 6379 3d22 2d31 3535 2e31 3822 91\" cy=\"-155.18\"\n+00014c60: 2072 783d 2236 392e 3039 2220 7279 3d22 rx=\"69.09\" ry=\"\n+00014c70: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+00014c80: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+00014c90: 6c65 2220 783d 2236 3931 2220 793d 222d le\" x=\"691\" y=\"-\n+00014ca0: 3135 322e 3638 2220 666f 6e74 2d66 616d 152.68\" font-fam\n+00014cb0: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n+00014cc0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n+00014cd0: 3e65 7373 656e 7469 616c 6479 6e61 6d69 >essentialdynami\n+00014ce0: 6373 3c2f 7465 7874 3e0a 3c2f 673e 0a3c cs</text>.</g>.<\n+00014cf0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014d00: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00014d10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014d20: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+00014d30: 6c64 796e 616d 6963 7320 2d2d 3e0a 3c67 ldynamics -->.<g\n+00014d40: 2069 643d 2265 6467 6531 3334 2220 636c id=\"edge134\" cl\n+00014d50: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00014d60: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00014d70: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+00014d80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00014d90: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+00014da0: 6479 6e61 6d69 6373 3c2f 7469 746c 653e dynamics\n+00014db0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+00014f20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014f30: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00014f40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014f50: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n+00014f60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.\n+00014f80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00014f90: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00014fa0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014fb0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00014fc0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io..\n+00015060: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+00015150: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00015160: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00015170: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec..\n+000152a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00015310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015320: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00015330: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015340: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00015350: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00015360: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00015370: 6662 6622 2064 3d22 4d31 3034 382e 3337 fbf\" d=\"M1048.37\n+00015380: 2c2d 3635 342e 3743 3131 3232 2e36 332c ,-654.7C1122.63,\n+00015390: 2d36 3436 2e37 2031 3332 362e 3631 2c2d -646.7 1326.61,-\n+000153a0: 3631 332e 3638 2031 3430 362c 2d34 3832 613.68 1406,-482\n+000153b0: 2e39 3620 3134 3435 2e34 342c 2d34 3138 .96 1445.44,-418\n+000153c0: 2e30 3320 3134 3430 2e39 342c 2d31 3933 .03 1440.94,-193\n+000153d0: 2e31 3520 3133 3835 2c2d 3134 312e 3734 .15 1385,-141.74\n+000153e0: 2031 3334 302e 3033 2c2d 3130 302e 3431 1340.03,-100.41\n+000153f0: 2039 3133 2e38 372c 2d39 342e 3333 2037 913.87,-94.33 7\n+00015400: 3737 2c2d 3933 2e34 3522 2f3e 0a3c 706f 77,-93.45\"/>.<po\n+00015410: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+00015420: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+00015430: 6266 6266 2220 706f 696e 7473 3d22 3737 bfbf\" points=\"77\n+00015440: 362e 3933 2c2d 3839 2e39 3520 3736 362e 6.93,-89.95 766.\n+00015450: 392c 2d39 332e 3339 2037 3736 2e38 382c 9,-93.39 776.88,\n+00015460: 2d39 362e 3935 2037 3736 2e39 332c 2d38 -96.95 776.93,-8\n+00015470: 392e 3935 222f 3e0a 3c2f 673e 0a3c 212d 9.95\"/>.</g>.<!-\n+00015480: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00015490: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+000154a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000154b0: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n+000154c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n+000154d0: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+000154e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000154f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00015500: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00015510: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+00015520: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware......module_src_grom\n+00015720: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+00015730: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00015740: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald......module\n+00015930: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00015940: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00015950: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+00015960: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+00015970: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00015a40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015a50: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00015a60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015a70: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d gromacs_random -\n+00015a80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.\n+00015aa0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00015ab0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00015ac0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00015ad0: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+00015ae0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om.\n+00015bc0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+00015c30: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00015c80: 3c67 2069 643d 2265 6467 6531 3239 2220 .module_src_\n+00015cb0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00015cc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00015cd0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00015ce0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+00015cf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00015d00: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00015d10: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00015d20: 6179 3d22 352c 3222 2064 3d22 4d39 3933 ay=\"5,2\" d=\"M993\n+00015d30: 2e36 2c2d 3635 342e 3132 4339 3335 2e36 .6,-654.12C935.6\n+00015d40: 372c 2d36 3436 2e39 3720 3739 372e 372c 7,-646.97 797.7,\n+00015d50: 2d36 3238 2e31 3120 3638 332c 2d36 3038 -628.11 683,-608\n+00015d60: 2e37 2036 3739 2e35 352c 2d36 3038 2e31 .7 679.55,-608.1\n+00015d70: 3220 3637 362e 3031 2c2d 3630 372e 3520 2 676.01,-607.5 \n+00015d80: 3637 322e 3435 2c2d 3630 362e 3836 222f 672.45,-606.86\"/\n+00015d90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....\n+00015e70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015e80: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00015e90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00015ea0: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat</titl\n+00015eb0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00015ec0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00015ed0: 3266 6363 2220 643d 224d 3130 3431 2e36 2fcc\" d=\"M1041.6\n+00015ee0: 322c 2d36 3438 2e38 3643 3130 3537 2e39 2,-648.86C1057.9\n+00015ef0: 312c 2d36 3431 2e31 3220 3130 3739 2e35 1,-641.12 1079.5\n+00015f00: 372c 2d36 3237 2e38 3520 3130 3930 2c2d 7,-627.85 1090,-\n+00015f10: 3630 382e 3720 3131 3537 2e34 392c 2d34 608.7 1157.49,-4\n+00015f20: 3834 2e37 3520 3131 3235 2c2d 3330 342e 84.75 1125,-304.\n+00015f30: 3236 2031 3131 302e 3632 2c2d 3234 312e 26 1110.62,-241.\n+00015f40: 3532 222f 3e0a 3c70 6f6c 7967 6f6e 2066 52\"/>.<polygon f\n+00015f50: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00015f60: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00015f70: 6f69 6e74 733d 2231 3131 332e 3936 2c2d oints=\"1113.96,-\n+00015f80: 3234 302e 3436 2031 3130 382e 3235 2c2d 240.46 1108.25,-\n+00015f90: 3233 312e 3534 2031 3130 372e 3135 2c2d 231.54 1107.15,-\n+00015fa0: 3234 322e 3037 2031 3131 332e 3936 2c2d 242.07 1113.96,-\n+00015fb0: 3234 302e 3436 222f 3e0a 3c2f 673e 0a3c 240.46\"/>.</g>.<\n+00015fc0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015fd0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00015fe0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015ff0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00016000: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n+00016010: 6720 6964 3d22 6564 6765 3132 3822 2063 g id=\"edge128\" c\n+00016020: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00016030: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00016040: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00016050: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016060: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00016070: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh</titl\n+00016080: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00016090: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+000160a0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+000160b0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+000160c0: 4d31 3032 362e 3137 2c2d 3637 312e 3436 M1026.17,-671.46\n+000160d0: 4331 3033 342e 3132 2c2d 3638 382e 3732 C1034.12,-688.72\n+000160e0: 2031 3035 312e 3039 2c2d 3731 392e 3633 1051.09,-719.63\n+000160f0: 2031 3037 362c 2d37 3334 2e34 3420 3130 1076,-734.44 10\n+00016100: 3737 2e37 362c 2d37 3335 2e34 3920 3133 77.76,-735.49 13\n+00016110: 3131 2e39 342c 2d37 3636 2e32 3420 3134 11.94,-766.24 14\n+00016120: 3033 2e31 392c 2d37 3738 2e31 3922 2f3e 03.19,-778.19\"/>\n+00016130: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00016140: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00016150: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00016160: 3d22 3134 3032 2e39 362c 2d37 3831 2e36 =\"1402.96,-781.6\n+00016170: 3920 3134 3133 2e33 332c 2d37 3739 2e35 9 1413.33,-779.5\n+00016180: 3220 3134 3033 2e38 372c 2d37 3734 2e37 2 1403.87,-774.7\n+00016190: 3520 3134 3032 2e39 362c 2d37 3831 2e36 5 1402.96,-781.6\n+000161a0: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 9\"/>.</g>.<!-- m\n+000161b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000161c0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000161d0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+000161e0: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+000161f0: 6564 6765 3133 3822 2063 6c61 7373 3d22 edge138\" class=\"\n+00016200: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00016210: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016220: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00016230: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n+00016240: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils....<\n+00016350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00016360: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+00016370: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+00016380: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00016390: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000163a0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n+000163d0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+000163e0: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n+000163f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00016400: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00016410: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00016420: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016430: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00016440: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00016450: 6179 3d22 352c 3222 2064 3d22 4d36 3737 ay=\"5,2\" d=\"M677\n+00016460: 2e31 322c 2d31 3638 2e35 3943 3636 372e .12,-168.59C667.\n+00016470: 3035 2c2d 3137 372e 3936 2036 3533 2e34 05,-177.96 653.4\n+00016480: 322c 2d31 3931 2e34 3220 3634 332c 2d32 2,-191.42 643,-2\n+00016490: 3034 2e36 3120 3539 332e 3436 2c2d 3236 04.61 593.46,-26\n+000164a0: 372e 3239 2035 3936 2e30 382c 2d32 3933 7.29 596.08,-293\n+000164b0: 2e34 3120 3534 382c 2d33 3537 2e32 3220 .41 548,-357.22 \n+000164c0: 3433 392e 3838 2c2d 3530 302e 3639 2032 439.88,-500.69 2\n+000164d0: 3737 2c2d 3437 372e 3438 2032 3737 2c2d 77,-477.48 277,-\n+000164e0: 3635 372e 3134 2032 3737 2c2d 3834 372e 657.14 277,-847.\n+000164f0: 3735 2032 3737 2c2d 3834 372e 3735 2032 75 277,-847.75 2\n+00016500: 3737 2c2d 3834 372e 3735 2032 3737 2c2d 77,-847.75 277,-\n+00016510: 3839 392e 3232 2033 3137 2e35 322c 2d39 899.22 317.52,-9\n+00016520: 3033 2e31 3720 3336 352c 2d39 3233 2e30 03.17 365,-923.0\n+00016530: 3520 3435 352e 3639 2c2d 3936 312e 3033 5 455.69,-961.03\n+00016540: 2037 3438 2e34 382c 2d39 3639 2e32 3320 748.48,-969.23 \n+00016550: 3837 332e 3532 2c2d 3937 3122 2f3e 0a3c 873.52,-971\"/>.<\n+00016560: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00016570: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00016580: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00016590: 3837 332e 3632 2c2d 3937 342e 3520 3838 873.62,-974.5 88\n+000165a0: 332e 3636 2c2d 3937 312e 3133 2038 3733 3.66,-971.13 873\n+000165b0: 2e37 312c 2d39 3637 2e35 2038 3733 2e36 .71,-967.5 873.6\n+000165c0: 322c 2d39 3734 2e35 222f 3e0a 3c2f 673e 2,-974.5\"/>.\n+000165d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+00016650: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00016660: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00016670: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00016680: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00016690: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+000166a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000166b0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000166c0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+000166d0: 3d22 352c 3222 2064 3d22 4d36 3932 2e32 =\"5,2\" d=\"M692.2\n+000166e0: 362c 2d31 3638 2e38 3743 3639 332e 3332 6,-168.87C693.32\n+000166f0: 2c2d 3138 342e 3231 2036 3933 2e36 312c ,-184.21 693.61,\n+00016700: 2d32 3130 2e35 3420 3638 362c 2d32 3331 -210.54 686,-231\n+00016710: 2e34 3820 3634 332e 3739 2c2d 3334 372e .48 643.79,-347.\n+00016720: 3636 2035 3933 2e35 322c 2d33 3535 2e32 66 593.52,-355.2\n+00016730: 3820 3532 322c 2d34 3536 2e30 3920 3530 8 522,-456.09 50\n+00016740: 372e 3237 2c2d 3437 362e 3835 2033 3939 7.27,-476.85 399\n+00016750: 2e35 362c 2d36 3230 2e34 2033 3932 2c2d .56,-620.4 392,-\n+00016760: 3634 342e 3720 3338 382e 3435 2c2d 3635 644.7 388.45,-65\n+00016770: 362e 3120 3338 352e 3832 2c2d 3636 312e 6.1 385.82,-661.\n+00016780: 3335 2033 3932 2c2d 3637 312e 3537 2034 35 392,-671.57 4\n+00016790: 3838 2e39 392c 2d38 3331 2e38 3820 3131 88.99,-831.88 11\n+000167a0: 3130 2e39 342c 2d38 3930 2e30 3920 3133 10.94,-890.09 13\n+000167b0: 3038 2e31 322c 2d39 3034 2e36 3422 2f3e 08.12,-904.64\"/>\n+000167c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00016830: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+000168b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+000168c0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+000168d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000168e0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+000168f0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module_src_grom\n+00016b00: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+00016b10: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+00016b20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016b30: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00016b40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016b50: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00016b60: 2220 643d 224d 3639 332e 3932 2c2d 3136 \" d=\"M693.92,-16\n+00016b70: 382e 3733 4336 3932 2e39 372c 2d31 3833 8.73C692.97,-183\n+00016b80: 2e39 3220 3638 382e 372c 2d32 3130 2e31 .92 688.7,-210.1\n+00016b90: 3120 3639 352c 2d32 3331 2e34 3820 3732 1 695,-231.48 72\n+00016ba0: 382e 3539 2c2d 3334 352e 3435 2038 3036 8.59,-345.45 806\n+00016bb0: 2e34 312c 2d33 3432 2e31 3220 3834 302c .41,-342.12 840,\n+00016bc0: 2d34 3536 2e30 3920 3835 392e 3936 2c2d -456.09 859.96,-\n+00016bd0: 3532 332e 3820 3735 312e 3433 2c2d 3535 523.8 751.43,-55\n+00016be0: 332e 3936 2037 3936 2c2d 3630 382e 3720 3.96 796,-608.7 \n+00016bf0: 3831 392e 3439 2c2d 3633 372e 3535 2039 819.49,-637.55 9\n+00016c00: 3234 2e39 2c2d 3634 392e 3735 2039 3832 24.9,-649.75 982\n+00016c10: 2e38 342c 2d36 3534 2e34 3722 2f3e 0a3c .84,-654.47\"/>.<\n+00016c20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00016c30: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00016c40: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00016c50: 3938 322e 3833 2c2d 3635 372e 3938 2039 982.83,-657.98 9\n+00016c60: 3933 2e30 372c 2d36 3535 2e32 3620 3938 93.07,-655.26 98\n+00016c70: 332e 3338 2c2d 3635 3120 3938 322e 3833 3.38,-651 982.83\n+00016c80: 2c2d 3635 372e 3938 222f 3e0a 3c2f 673e ,-657.98\"/>.\n+00016c90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+00016ce0: 0a3c 6720 6964 3d22 6564 6765 3134 3122 ..<\n+00016d00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00016d10: 5f67 726f 6d61 6373 5f65 7373 656e 7469 _gromacs_essenti\n+00016d20: 616c 6479 6e61 6d69 6373 2623 3435 3b26 aldynamics-&\n+00016d30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00016d40: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio......m\n+00016f50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016f60: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n+00016f70: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n+00016f80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00016f90: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec......mod\n+00017130: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017140: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00017150: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00017160: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00017170: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...\n+00017250: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+000172a0: 3c67 2069 643d 2265 6467 6531 3532 2220 .module_src_\n+000172d0: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+000172e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000172f0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00017300: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00017310: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00017320: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00017330: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00017340: 6179 3d22 352c 3222 2064 3d22 4d31 3233 ay=\"5,2\" d=\"M123\n+00017350: 382e 3739 2c2d 3835 362e 3843 3131 3938 8.79,-856.8C1198\n+00017360: 2e34 352c 2d38 3733 2e39 3720 3131 3033 .45,-873.97 1103\n+00017370: 2e38 342c 2d39 3130 2e36 3420 3130 3731 .84,-910.64 1071\n+00017380: 2c2d 3932 332e 3035 2031 3033 382e 3033 ,-923.05 1038.03\n+00017390: 2c2d 3933 352e 3531 2031 3030 302e 3236 ,-935.51 1000.26\n+000173a0: 2c2d 3934 392e 3434 2039 3732 2e31 332c ,-949.44 972.13,\n+000173b0: 2d39 3539 2e31 3522 2f3e 0a3c 706f 6c79 -959.15\"/>.....module_src_gro\n+000174b0: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n 000174c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000174d0: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e romacs_nbnxm -->\n-000174e0: 0a3c 6720 6964 3d22 6564 6765 3135 3822 ..<\n-00017500: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017510: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00017520: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00017530: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-00017540: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00017610: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00017680: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017690: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-000176a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000176b0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-000176c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-00017850: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00017860: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00017870: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00017880: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00017890: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio...\n-000179f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00017a60: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00017a70: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00017a80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017a90: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-00017aa0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017ab0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00017ac0: 2220 643d 224d 3635 322e 3631 2c2d 3339 \" d=\"M652.61,-39\n-00017ad0: 332e 3033 4336 3336 2e37 2c2d 3334 362e 3.03C636.7,-346.\n-00017ae0: 3320 3538 342e 352c 2d31 3833 2e37 3320 3 584.5,-183.73 \n-00017af0: 3631 332c 2d31 3431 2e37 3420 3632 332e 613,-141.74 623.\n-00017b00: 3032 2c2d 3132 362e 3938 2036 3636 2e34 02,-126.98 666.4\n-00017b10: 312c 2d31 3132 2e31 3620 3639 382e 3631 1,-112.16 698.61\n-00017b20: 2c2d 3130 322e 3837 222f 3e0a 3c70 6f6c ,-102.87\"/>...<\n-00017ba0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017bb0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00017bc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017bd0: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n-00017be0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->..modul\n-00017c10: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00017c20: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00017c30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017c40: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-00017c50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-00017dc0: 3c67 2069 643d 2265 6467 6531 3630 2220 .module_src_\n-00017df0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00017e00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00017e10: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-00017e20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n-00017f20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017f30: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00017f40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017f50: 5f67 726f 6d61 6373 5f6d 6472 756e 202d _gromacs_mdrun -\n-00017f60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.\n-00017f80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00017f90: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00017fa0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00017fb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00017fc0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..<\n-00018070: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00018080: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00018090: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000180a0: 3931 322e 3834 2c2d 3335 342e 3233 2039 912.84,-354.23 9\n-000180b0: 3232 2e31 2c2d 3334 392e 3039 2039 3131 22.1,-349.09 911\n-000180c0: 2e36 362c 2d33 3437 2e33 3320 3931 322e .66,-347.33 912.\n-000180d0: 3834 2c2d 3335 342e 3233 222f 3e0a 3c2f 84,-354.23\"/>....\n-00018150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018160: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-00018170: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00018180: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n-00018190: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000181a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-000181b0: 2223 6266 6266 6266 2220 643d 224d 3639 \"#bfbfbf\" d=\"M69\n-000181c0: 322e 3038 2c2d 3430 392e 3843 3732 392e 2.08,-409.8C729.\n-000181d0: 3834 2c2d 3431 332e 3732 2037 3839 2e39 84,-413.72 789.9\n-000181e0: 392c 2d34 3234 2e38 2038 3331 2c2d 3435 9,-424.8 831,-45\n-000181f0: 362e 3039 2038 3438 2e37 352c 2d34 3639 6.09 848.75,-469\n-00018200: 2e36 3320 3836 302e 3932 2c2d 3439 322e .63 860.92,-492.\n-00018210: 3336 2038 3638 2e30 392c 2d35 3039 2e33 36 868.09,-509.3\n-00018220: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n-00018230: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-00018240: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n-00018250: 696e 7473 3d22 3836 342e 3938 2c2d 3531 ints=\"864.98,-51\n-00018260: 302e 3936 2038 3731 2e39 312c 2d35 3138 0.96 871.91,-518\n-00018270: 2e39 3820 3837 312e 3439 2c2d 3530 382e .98 871.49,-508.\n-00018280: 3339 2038 3634 2e39 382c 2d35 3130 2e39 39 864.98,-510.9\n-00018290: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n-000182a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000182b0: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-000182c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000182d0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-000182e0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-000182f0: 6531 3631 2220 636c 6173 733d 2265 6467 e161\" class=\"edg\n-00018300: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00018310: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00018320: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-00018330: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00018340: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces</t\n-00018350: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00018360: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00018370: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00018380: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00018390: 643d 224d 3637 372e 3936 2c2d 3431 372e d=\"M677.96,-417.\n-000183a0: 3632 4336 3930 2e35 332c 2d34 3236 2e33 62C690.53,-426.3\n-000183b0: 3820 3730 342e 3735 2c2d 3434 302e 3137 8 704.75,-440.17\n-000183c0: 2037 3131 2c2d 3435 362e 3039 2037 3135 711,-456.09 715\n-000183d0: 2e33 372c 2d34 3637 2e32 3120 3731 342e .37,-467.21 714.\n-000183e0: 3334 2c2d 3437 312e 3439 2037 3131 2c2d 34,-471.49 711,-\n-000183f0: 3438 322e 3936 2037 3036 2e33 372c 2d34 482.96 706.37,-4\n-00018400: 3938 2e38 3620 3638 302e 332c 2d35 3332 98.86 680.3,-532\n-00018410: 2e31 3320 3637 312c 2d35 3435 2e38 3320 .13 671,-545.83 \n-00018420: 3636 342e 3437 2c2d 3535 352e 3436 2036 664.47,-555.46 6\n-00018430: 3536 2e39 342c 2d35 3635 2e39 3520 3634 56.94,-565.95 64\n-00018440: 392e 3739 2c2d 3537 342e 3639 222f 3e0a 9.79,-574.69\"/>.\n-00018450: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00018460: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-00018470: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-00018480: 2236 3436 2e39 372c 2d35 3732 2e36 2036 \"646.97,-572.6 6\n-00018490: 3433 2e30 392c 2d35 3832 2e34 3620 3635 43.09,-582.46 65\n-000184a0: 322e 3237 2c2d 3537 372e 3137 2036 3436 2.27,-577.17 646\n-000184b0: 2e39 372c 2d35 3732 2e36 222f 3e0a 3c2f .97,-572.6\"/>.</\n-000184c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-000184d0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267 rc_gromacs_energ\n-000184e0: 7961 6e61 6c79 7369 7320 2d2d 3e0a 3c67 yanalysis -->.<g\n-000184f0: 2069 643d 226e 6f64 6532 3722 2063 6c61 id=\"node27\" cla\n-00018500: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n-00018510: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00018520: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n-00018530: 7369 733c 2f74 6974 6c65 3e0a 3c67 2069 sis...ener\n-00018660: 6779 616e 616c 7973 6973 3c2f 7465 7874 gyanalysis...\n-00018680: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n-000188b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000188c0: 5f65 6e65 7267 7961 6e61 6c79 7369 7326 _energyanalysis&\n-000188d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000188e0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-000188f0: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a..\n-000189f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-00018c10: 655f 7372 635f 6772 6f6d 6163 735f 656e e_src_gromacs_en\n-00018c20: 6572 6779 616e 616c 7973 6973 2623 3435 ergyanalysis-\n-00018c30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018c40: 6772 6f6d 6163 735f 7374 6174 6973 7469 gromacs_statisti\n-00018c50: 6373 3c2f 7469 746c 653e 0a3c 7061 7468 cs...<\n-00018d50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-00018da0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00018db0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-00018dc0: 6720 6964 3d22 615f 6e6f 6465 3238 223e g id=\"a_node28\">\n-00018dd0: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..utility.\n-00018ee0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-00018ef0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00018f00: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n-00018f10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00018f20: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-00018f30: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->..mod\n-00018f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00018f70: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n-00018f80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018f90: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00018fa0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00018fb0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00018fc0: 6266 6266 6266 2220 643d 224d 3130 3232 bfbfbf\" d=\"M1022\n-00018fd0: 2e37 322c 2d35 3837 2e35 3243 3939 332e .72,-587.52C993.\n-00018fe0: 3036 2c2d 3537 372e 3831 2039 3432 2e30 06,-577.81 942.0\n-00018ff0: 322c 2d35 3539 2e37 2039 3038 2e35 352c 2,-559.7 908.55,\n-00019000: 2d35 3437 2e31 3122 2f3e 0a3c 706f 6c79 -547.11\"/>.<poly\n-00019010: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-00019020: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-00019030: 6266 2220 706f 696e 7473 3d22 3930 392e bf\" points=\"909.\n-00019040: 3337 2c2d 3534 332e 3637 2038 3938 2e37 37,-543.67 898.7\n-00019050: 382c 2d35 3433 2e34 2039 3036 2e38 382c 8,-543.4 906.88,\n-00019060: 2d35 3530 2e32 3220 3930 392e 3337 2c2d -550.22 909.37,-\n-00019070: 3534 332e 3637 222f 3e0a 3c2f 673e 0a3c 543.67\"/>.</g>.<\n-00019080: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00019090: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n-000190a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000190b0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-000190c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000190d0: 3137 3222 2063 6c61 7373 3d22 6564 6765 172\" class=\"edge\n-000190e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000190f0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-00019100: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-00019110: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019120: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n-00019130: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00019140: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00019150: 2220 643d 224d 3130 3437 2e37 362c 2d35 \" d=\"M1047.76,-5\n-00019160: 3831 2e37 3843 3130 3533 2e39 342c 2d35 81.78C1053.94,-5\n-00019170: 3338 2e33 3220 3130 3735 2e33 2c2d 3338 38.32 1075.3,-38\n-00019180: 392e 3731 2031 3039 362c 2d32 3637 2e34 9.71 1096,-267.4\n-00019190: 3820 3130 3937 2e34 332c 2d32 3539 2e30 8 1097.43,-259.0\n-000191a0: 3420 3130 3939 2e31 322c 2d32 3439 2e37 4 1099.12,-249.7\n-000191b0: 3920 3131 3030 2e36 342c 2d32 3431 2e36 9 1100.64,-241.6\n-000191c0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>....\n-000192a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000192b0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-000192c0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-000192d0: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n-000192e0: 6c65 733c 2f74 6974 6c65 3e0a 3c70 6174 les..\n+000174f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00017690: 0a3c 6720 6964 3d22 6564 6765 3134 3622 ..<\n+000176b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000176c0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n+000176d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000176e0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+000176f0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module_\n+00017840: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00017850: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+00017860: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00017870: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n+00017880: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00017940: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+00017a30: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+00017a40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017a50: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74 romacs_mdspan......\n+00017c50: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00017c60: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00017c70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00017c80: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00017c90: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib..\n+00017ea0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00017f10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017f20: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+00017f30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00017f40: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n+00017f50: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00017f60: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00017f70: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00017f80: 7368 6172 7261 793d 2235 2c32 2220 643d 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3134 372e 3036 2c2d 3232 342e 3837 1147.06,-224.87\n+00018080: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00018090: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+000180a0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+000180b0: 6e74 733d 2231 3134 372e 3433 2c2d 3232 nts=\"1147.43,-22\n+000180c0: 312e 3339 2031 3133 372e 3031 2c2d 3232 1.39 1137.01,-22\n+000180d0: 332e 3332 2031 3134 362e 3336 2c2d 3232 3.32 1146.36,-22\n+000180e0: 382e 3320 3131 3437 2e34 332c 2d32 3231 8.3 1147.43,-221\n+000180f0: 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .39\"/>.</g>.<!--\n+00018100: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00018110: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n+00018120: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018130: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00018140: 7263 6573 5f61 7768 202d 2d3e 0a3c 6720 rces_awh -->.<g \n+00018150: 6964 3d22 6564 6765 3134 3922 2063 6c61 id=\"edge149\" cla\n+00018160: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00018170: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00018180: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+00018190: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000181a0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+000181b0: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh</title\n+000181c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000181d0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+000181e0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000181f0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00018200: 3132 3736 2e37 362c 2d38 3337 2e35 3443 1276.76,-837.54C\n+00018210: 3133 3037 2e39 332c 2d38 3236 2e32 3620 1307.93,-826.26 \n+00018220: 3133 3638 2e32 392c 2d38 3036 2e30 3520 1368.29,-806.05 \n+00018230: 3134 3036 2e30 352c 2d37 3934 2e32 3122 1406.05,-794.21\"\n+00018240: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00018250: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00018260: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00018270: 7473 3d22 3134 3037 2e35 342c 2d37 3937 ts=\"1407.54,-797\n+00018280: 2e34 3220 3134 3136 2e30 362c 2d37 3931 .42 1416.06,-791\n+00018290: 2e31 3120 3134 3035 2e34 372c 2d37 3930 .11 1405.47,-790\n+000182a0: 2e37 3320 3134 3037 2e35 342c 2d37 3937 .73 1407.54,-797\n+000182b0: 2e34 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .42\"/>.</g>.<!--\n+000182c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000182d0: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n+000182e0: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+000182f0: 7374 7574 696c 7320 2d2d 3e0a 3c67 2069 stutils -->.<g i\n+00018300: 643d 2265 6467 6531 3534 2220 636c 6173 d=\"edge154\" clas\n+00018310: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00018320: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00018330: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n+00018340: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+00018350: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n+00018360: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+000184f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00018500: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+00018510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018520: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c cs_imd.<\n+00018530: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00018540: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00018550: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00018560: 6179 3d22 352c 3222 2064 3d22 4d36 3434 ay=\"5,2\" d=\"M644\n+00018570: 2e33 372c 2d34 3139 2e34 3143 3632 312e .37,-419.41C621.\n+00018580: 372c 2d34 3335 2e31 3820 3537 342e 3032 7,-435.18 574.02\n+00018590: 2c2d 3436 332e 3436 2035 3331 2c2d 3438 ,-463.46 531,-48\n+000185a0: 322e 3936 2034 3434 2e33 2c2d 3532 322e 2.96 444.3,-522.\n+000185b0: 3236 2034 3032 2e33 362c 2d35 3039 2e30 26 402.36,-509.0\n+000185c0: 3520 3334 312c 2d35 3831 2e38 3320 3236 5 341,-581.83 26\n+000185d0: 352e 3333 2c2d 3637 312e 3538 2031 3339 5.33,-671.58 139\n+000185e0: 2e35 372c 2d38 3238 2e30 3420 3232 312c .57,-828.04 221,\n+000185f0: 2d39 3233 2e30 3520 3330 392e 3734 2c2d -923.05 309.74,-\n+00018600: 3130 3236 2e35 3820 3736 302e 322c 2d31 1026.58 760.2,-1\n+00018610: 3033 342e 3635 2038 3933 2e37 342c 2d31 034.65 893.74,-1\n+00018620: 3033 342e 3634 222f 3e0a 3c70 6f6c 7967 034.64\"/>.....module_src_gr\n+00018720: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00018730: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00018740: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00018750: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....\n+00018950: 0a3c 6720 6964 3d22 6564 6765 3135 3722 ..<\n+00018970: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00018980: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+00018990: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000189a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+000189b0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module_src_grom\n+00018bb0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00018bc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018bd0: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm....\n+00018cb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+00018d20: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00018d30: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00018d40: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00018d50: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_gr\n+00018f00: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00018f10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00018f20: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio....\n+000190d0: 0a3c 6720 6964 3d22 6564 6765 3135 3922 ..<\n+000190f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00019100: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+00019110: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00019120: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00019130: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b....\n+00019280: 0a3c 6720 6964 3d22 6564 6765 3136 3222 ..<\n+000192a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000192b0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+000192c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000192d0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+000192e0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......module\n-000194c0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000194d0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000194e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-000194f0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-00019500: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00019510: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-00019520: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-00019530: 7272 6179 3d22 352c 3222 2064 3d22 4d37 rray=\"5,2\" d=\"M7\n-00019540: 3636 2e37 392c 2d39 332e 3733 4338 3935 66.79,-93.73C895\n-00019550: 2e34 312c 2d39 352e 3638 2031 3337 322e .41,-95.68 1372.\n-00019560: 3938 2c2d 3130 352e 3335 2031 3432 392c 98,-105.35 1429,\n-00019570: 2d31 3431 2e37 3420 3134 3630 2e37 382c -141.74 1460.78,\n-00019580: 2d31 3632 2e33 3920 3134 3639 2c2d 3137 -162.39 1469,-17\n-00019590: 392e 3135 2031 3436 392c 2d32 3137 2e30 9.15 1469,-217.0\n-000195a0: 3520 3134 3639 2c2d 3238 312e 3932 2031 5 1469,-281.92 1\n-000195b0: 3436 392c 2d32 3831 2e39 3220 3134 3639 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5f73 .<title>module_s\n-00019790: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-000197a0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-000197b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-000197c0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes..\n-000198a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-00019910: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00019980: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019990: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n-000199a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000199b0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-000199c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-00019b10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-00019b80: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-00019b90: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00019ba0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00019bb0: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald......modu\n-00019d20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-00019d30: 6172 6477 6172 6526 2334 353b 2667 743b ardware->\n-00019d40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00019d50: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00019d60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00019d70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00019d80: 6266 6266 6266 2220 643d 224d 3134 3637 bfbfbf\" d=\"M1467\n-00019d90: 2e39 362c 2d33 312e 3836 4331 3538 342e .96,-31.86C1584.\n-00019da0: 3537 2c2d 3337 2e33 3120 3139 3232 2c2d 57,-37.31 1922,-\n-00019db0: 3631 2e34 3820 3139 3232 2c2d 3135 342e 61.48 1922,-154.\n-00019dc0: 3138 2031 3932 322c 2d32 3139 2e30 3520 18 1922,-219.05 \n-00019dd0: 3139 3232 2c2d 3231 392e 3035 2031 3932 1922,-219.05 192\n-00019de0: 322c 2d32 3139 2e30 3520 3139 3232 2c2d 2,-219.05 1922,-\n-00019df0: 3235 352e 3037 2031 3931 392e 3239 2c2d 255.07 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>.<g id=\"edge181\n-0001a0b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001a0c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001a0d0: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n-0001a0e0: 696e 7426 2334 353b 2667 743b 6d6f 6475 int->modu\n-0001a0f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001a100: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-0001a110: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001a120: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001a130: 2220 643d 224d 3937 342e 3031 2c2d 3239 \" d=\"M974.01,-29\n-0001a140: 342e 3139 4339 3935 2e39 362c 2d33 3235 4.19C995.96,-325\n-0001a150: 2e36 3620 3130 3438 2e37 392c 2d34 3131 .66 1048.79,-411\n-0001a160: 2e37 3420 3130 3236 2c2d 3438 322e 3936 .74 1026,-482.96\n-0001a170: 2039 3936 2e32 332c 2d35 3735 2e39 3920 996.23,-575.99 \n-0001a180: 3931 352e 312c 2d36 3633 2e36 3520 3837 915.1,-663.65 87\n-0001a190: 372e 3132 2c2d 3730 312e 3033 222f 3e0a 7.12,-701.03\"/>.\n-0001a1a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n-0001a210: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-0001a290: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n-0001a2a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001a2b0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-0001a2c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n-0001a3b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n-0001a430: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n-0001a440: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a450: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0001a460: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module_src_grom\n-0001a5f0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0001a600: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-0001a610: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0001a620: 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2037 3135 8.41,-705.03 715\n-0001a8d0: 2e33 342c 2d37 3139 2e33 3520 3830 382e .34,-719.35 808.\n-0001a8e0: 3532 2c2d 3732 302e 3538 222f 3e0a 3c70 52,-720.58\"/>.<p\n-0001a8f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-0001a900: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-0001a910: 6662 6662 6622 2070 6f69 6e74 733d 2238 fbfbf\" points=\"8\n-0001a920: 3038 2e37 352c 2d37 3234 2e30 3820 3831 08.75,-724.08 81\n-0001a930: 382e 3737 2c2d 3732 302e 3637 2038 3038 8.77,-720.67 808\n-0001a940: 2e38 312c 2d37 3137 2e30 3820 3830 382e .81,-717.08 808.\n-0001a950: 3735 2c2d 3732 342e 3038 222f 3e0a 3c2f 75,-724.08\"/>.</\n-0001a960: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001a970: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-0001a980: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-0001a990: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001a9a0: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-0001a9b0: 6720 6964 3d22 6564 6765 3139 3122 2063 g id=\"edge191\" c\n-0001a9c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001a9d0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001a9e0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0001a9f0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0001aa00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001aa10: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-0001aa20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001aa30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001aa40: 2220 643d 224d 3432 342e 3639 2c2d 3233 \" d=\"M424.69,-23\n-0001aa50: 312e 3533 4334 3035 2e36 372c 2d32 3731 1.53C405.67,-271\n-0001aa60: 2e30 3920 3335 322e 3931 2c2d 3339 362e .09 352.91,-396.\n-0001aa70: 3133 2033 3939 2c2d 3438 322e 3936 2034 13 399,-482.96 4\n-0001aa80: 3230 2e38 362c 2d35 3234 2e31 3520 3532 20.86,-524.15 52\n-0001aa90: 332e 362c 2d35 3931 2e36 3520 3536 372c 3.6,-591.65 567,\n-0001aaa0: 2d36 3038 2e37 2036 3432 2e35 352c 2d36 -608.7 642.55,-6\n-0001aab0: 3338 2e33 3920 3838 372e 3833 2c2d 3635 38.39 887.83,-65\n-0001aac0: 312e 3538 2039 3832 2e38 382c 2d36 3535 1.58 982.88,-655\n-0001aad0: 2e36 3622 2f3e 0a3c 706f 6c79 676f 6e20 .66\"/>.....module_\n-0001abd0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-0001abe0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-0001abf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ac00: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-0001ac10: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n-0001ac20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-0001ad10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001ad20: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0001ad30: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0001ad40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ad50: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069 _domdec -->..module_src_grom\n-0001ad90: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0001ada0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-0001adb0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0001adc0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec......m\n-0001af30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001af40: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n-0001af50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001af60: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0001af70: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......modul\n-0001b0f0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001b100: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0001b110: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001b120: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n-0001b130: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-0001b260: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-0001b2e0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0001b2f0: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0001b300: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001b310: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald..\n-0001b380: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-0001b3f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-0001b470: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n-0001b480: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n-0001b490: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001b4a0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-0001b4b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n-0001b6a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001b6b0: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-0001b6c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001b6d0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-0001b6e0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n-0001b6f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001b700: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001b710: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001b720: 6179 3d22 352c 3222 2064 3d22 4d34 3237 ay=\"5,2\" d=\"M427\n-0001b730: 2e39 372c 2d32 3331 2e35 3243 3431 362e .97,-231.52C416.\n-0001b740: 392c 2d32 3738 2e34 2033 3830 2e38 362c 9,-278.4 380.86,\n-0001b750: 2d34 3433 2e34 3620 3431 322c 2d34 3832 -443.46 412,-482\n-0001b760: 2e39 3620 3435 342e 3435 2c2d 3533 362e .96 454.45,-536.\n-0001b770: 3820 3530 332e 3435 2c2d 3438 332e 3239 8 503.45,-483.29\n-0001b780: 2035 3632 2c2d 3531 382e 3936 2035 3834 562,-518.96 584\n-0001b790: 2e30 332c 2d35 3332 2e33 3820 3630 322e .03,-532.38 602.\n-0001b7a0: 3438 2c2d 3535 352e 3737 2036 3134 2e30 48,-555.77 614.0\n-0001b7b0: 322c 2d35 3732 2e39 3322 2f3e 0a3c 706f 2,-572.93\"/>.....modul\n-0001b8a0: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n-0001b8b0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-0001b8c0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-0001b8d0: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware..<\n-0001b940: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0001b950: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0001b960: 706f 696e 7473 3d22 3134 3736 2e37 392c points=\"1476.79,\n-0001b970: 2d33 312e 3320 3134 3636 2e35 322c 2d33 -31.3 1466.52,-3\n-0001b980: 332e 3837 2031 3437 362e 3135 2c2d 3338 3.87 1476.15,-38\n-0001b990: 2e32 3720 3134 3736 2e37 392c 2d33 312e .27 1476.79,-31.\n-0001b9a0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 3\"/>...<\n-0001b9f0: 6720 6964 3d22 6564 6765 3139 3222 2063 g id=\"edge192\" c\n-0001ba00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001ba20: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n-0001ba30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ba40: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-0001ba50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..<\n-0001bb60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001bb70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001bb80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001bb90: 3932 352e 3635 2c2d 3532 372e 3632 2039 925.65,-527.62 9\n-0001bba0: 3135 2e36 382c 2d35 3331 2e32 2039 3235 15.68,-531.2 925\n-0001bbb0: 2e37 312c 2d35 3334 2e36 3220 3932 352e .71,-534.62 925.\n-0001bbc0: 3635 2c2d 3532 372e 3632 222f 3e0a 3c2f 65,-527.62\"/>....module_src_grom\n-0001bc50: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-0001bc60: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001bc70: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-0001bc80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-0001be00: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0001be10: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0001be20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001be30: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0001be40: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.....<\n-0001bf90: 6720 6964 3d22 6564 6765 3139 3422 2063 g id=\"edge194\" c\n-0001bfa0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001bfc0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0001bfd0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0001bfe0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001bff0: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline...\n-0001c150: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-0001c1d0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-0001c1e0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-0001c1f0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001c200: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061 xana......module_\n-0001c370: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0001c380: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0001c390: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001c3a0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n-0001c3b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001c3c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001c3d0: 6266 6266 6266 2220 643d 224d 3938 372e bfbfbf\" d=\"M987.\n-0001c3e0: 3238 2c2d 3130 3931 2e34 3543 3838 342e 28,-1091.45C884.\n-0001c3f0: 3031 2c2d 3130 3738 2e32 3820 3635 392c 01,-1078.28 659,\n-0001c400: 2d31 3034 312e 3735 2036 3539 2c2d 3937 -1041.75 659,-97\n-0001c410: 332e 3439 2036 3539 2c2d 3937 332e 3439 3.49 659,-973.49\n-0001c420: 2036 3539 2c2d 3937 332e 3439 2036 3539 659,-973.49 659\n-0001c430: 2c2d 3834 352e 3735 2036 3539 2c2d 3830 ,-845.75 659,-80\n-0001c440: 382e 3834 2036 3636 2e30 372c 2d37 3934 8.84 666.07,-794\n-0001c450: 2e35 3620 3639 342c 2d37 3730 2e34 3420 .56 694,-770.44 \n-0001c460: 3732 362e 3334 2c2d 3734 322e 3532 2037 726.34,-742.52 7\n-0001c470: 3734 2e32 2c2d 3733 302e 3639 2038 3039 74.2,-730.69 809\n-0001c480: 2e37 2c2d 3732 352e 3638 222f 3e0a 3c70 .7,-725.68\"/>.<p\n-0001c490: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-0001c4a0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-0001c4b0: 6662 6662 6622 2070 6f69 6e74 733d 2238 fbfbf\" points=\"8\n-0001c4c0: 3130 2e33 352c 2d37 3239 2e31 3220 3831 10.35,-729.12 81\n-0001c4d0: 392e 3833 2c2d 3732 342e 3338 2038 3039 9.83,-724.38 809\n-0001c4e0: 2e34 372c 2d37 3232 2e31 3820 3831 302e .47,-722.18 810.\n-0001c4f0: 3335 2c2d 3732 392e 3132 222f 3e0a 3c2f 35,-729.12\"/>.</\n-0001c500: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001c510: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-0001c520: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-0001c530: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c540: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 acs_nbnxm -->.<g\n-0001c550: 2069 643d 2265 6467 6532 3130 2220 636c id=\"edge210\" cl\n-0001c560: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001c570: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001c580: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-0001c590: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-0001c5a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-0001c5b0: 626e 786d 3c2f 7469 746c 653e 0a3c 7061 bnxm....<\n-0001c720: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001c730: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0001c740: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0001c750: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001c760: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->..m\n-0001c790: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c7a0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-0001c7b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c7c0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0001c7d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0001c930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c940: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-0001c950: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001c960: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0001c970: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-0001ca10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n-0001cb00: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0001cb10: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-0001cb20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001cb30: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-0001cb40: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001cb50: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001cb60: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001cb70: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001cb80: 3d22 4d39 3830 2e31 392c 2d31 3039 352e =\"M980.19,-1095.\n-0001cb90: 3839 4338 3337 2e34 312c 2d31 3039 322e 89C837.41,-1092.\n-0001cba0: 3133 2034 3736 2e33 352c 2d31 3037 392e 13 476.35,-1079.\n-0001cbb0: 3634 2034 3332 2c2d 3130 3438 2e37 3920 64 432,-1048.79 \n-0001cbc0: 3430 312e 372c 2d31 3032 372e 3732 2033 401.7,-1027.72 3\n-0001cbd0: 3937 2c2d 3130 3130 2e33 3920 3339 372c 97,-1010.39 397,\n-0001cbe0: 2d39 3733 2e34 3920 3339 372c 2d39 3733 -973.49 397,-973\n-0001cbf0: 2e34 3920 3339 372c 2d39 3733 2e34 3920 .49 397,-973.49 \n-0001cc00: 3339 372c 2d36 3537 2e31 3420 3339 372c 397,-657.14 397,\n-0001cc10: 2d35 3337 2e35 3820 3532 302e 3632 2c2d -537.58 520.62,-\n-0001cc20: 3537 302e 3535 2036 3032 2c2d 3438 322e 570.55 602,-482.\n-0001cc30: 3936 2036 3034 2e32 392c 2d34 3830 2e35 96 604.29,-480.5\n-0001cc40: 2036 3236 2e37 362c 2d34 3439 2e35 3220 626.76,-449.52 \n-0001cc50: 3634 322e 3237 2c2d 3432 382e 3038 222f 642.27,-428.08\"/\n-0001cc60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-0001cc70: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001cc80: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-0001cc90: 733d 2236 3435 2e31 392c 2d34 3330 2e30 s=\"645.19,-430.0\n-0001cca0: 3120 3634 382e 322c 2d34 3139 2e38 3520 1 648.2,-419.85 \n-0001ccb0: 3633 392e 3531 2c2d 3432 352e 3931 2036 639.51,-425.91 6\n-0001ccc0: 3435 2e31 392c 2d34 3330 2e30 3122 2f3e 45.19,-430.01\"/>\n-0001ccd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001cce0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001ccf0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-0001cd00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001cd10: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-0001cd20: 3e0a 3c67 2069 643d 2265 6467 6532 3031 >.<g id=\"edge201\n-0001cd30: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001cd40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001cd50: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-0001cd60: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-0001cd70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001cd80: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-0001cd90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001cda0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001cdb0: 6662 6622 2064 3d22 4d39 3739 2e31 382c fbf\" d=\"M979.18,\n-0001cdc0: 2d31 3039 372e 3839 4338 3035 2e30 372c -1097.89C805.07,\n-0001cdd0: 2d31 3039 392e 3236 2032 3934 2e36 332c -1099.26 294.63,\n-0001cde0: 2d31 3039 382e 3737 2031 3337 2c2d 3130 -1098.77 137,-10\n-0001cdf0: 3438 2e37 3920 3736 2e39 382c 2d31 3032 48.79 76.98,-102\n-0001ce00: 392e 3736 2031 372c 2d31 3033 362e 3435 9.76 17,-1036.45\n-0001ce10: 2031 372c 2d39 3733 2e34 3920 3137 2c2d 17,-973.49 17,-\n-0001ce20: 3937 332e 3439 2031 372c 2d39 3733 2e34 973.49 17,-973.4\n-0001ce30: 3920 3137 2c2d 3539 342e 3237 2031 372c 9 17,-594.27 17,\n-0001ce40: 2d34 3532 2e39 3120 3737 2c2d 3432 332e -452.91 77,-423.\n-0001ce50: 3238 2037 372c 2d32 3831 2e39 3220 3737 28 77,-281.92 77\n-0001ce60: 2c2d 3238 312e 3932 2037 372c 2d32 3831 ,-281.92 77,-281\n-0001ce70: 2e39 3220 3737 2c2d 3231 372e 3035 2037 .92 77,-217.05 7\n-0001ce80: 372c 2d31 3832 2e39 3220 3636 2e34 352c 7,-182.92 66.45,\n-0001ce90: 2d31 3634 2e33 3620 3932 2c2d 3134 312e -164.36 92,-141.\n-0001cea0: 3734 2031 3336 2e38 382c 2d31 3032 2035 74 136.88,-102 5\n-0001ceb0: 3536 2e38 322c 2d39 342e 3835 2036 3932 56.82,-94.85 692\n-0001cec0: 2e37 362c 2d39 332e 3538 222f 3e0a 3c70 .76,-93.58\"/>.<p\n-0001ced0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-0001cee0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-0001cef0: 6662 6662 6622 2070 6f69 6e74 733d 2236 fbfbf\" points=\"6\n-0001cf00: 3933 2e32 2c2d 3937 2e30 3820 3730 332e 93.2,-97.08 703.\n-0001cf10: 3136 2c2d 3933 2e34 3920 3639 332e 3133 16,-93.49 693.13\n-0001cf20: 2c2d 3930 2e30 3820 3639 332e 322c 2d39 ,-90.08 693.2,-9\n-0001cf30: 372e 3038 222f 3e0a 3c2f 673e 0a3c 212d 7.08\"/>.</g>.<!-\n-0001cf40: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001cf50: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-0001cf60: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-0001cf70: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-0001cf80: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->.<g id=\n-0001cf90: 2265 6467 6532 3035 2220 636c 6173 733d \"edge205\" class=\n-0001cfa0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001cfb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001cfc0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-0001cfd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001cfe0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n-0001cff0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......modul\n-0001d210: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001d220: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-0001d230: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001d240: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft</titl\n-0001d250: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001d260: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001d270: 6266 6266 2220 643d 224d 3130 3935 2e39 bfbf\" d=\"M1095.9\n-0001d280: 2c2d 3130 3935 2e37 3343 3132 3532 2e35 ,-1095.73C1252.5\n-0001d290: 362c 2d31 3039 312e 3334 2031 3638 322e 6,-1091.34 1682.\n-0001d2a0: 3238 2c2d 3130 3737 2e30 3120 3138 3231 28,-1077.01 1821\n-0001d2b0: 2c2d 3130 3438 2e37 3920 3139 3033 2e32 ,-1048.79 1903.2\n-0001d2c0: 322c 2d31 3033 322e 3037 2031 3932 322e 2,-1032.07 1922.\n-0001d2d0: 3539 2c2d 3130 3230 2e35 3720 3139 3939 59,-1020.57 1999\n-0001d2e0: 2c2d 3938 352e 3932 2032 3036 312e 3232 ,-985.92 2061.22\n-0001d2f0: 2c2d 3935 372e 3731 2032 3133 332c 2d39 ,-957.71 2133,-9\n-0001d300: 3738 2e39 3320 3231 3333 2c2d 3931 302e 78.93 2133,-910.\n-0001d310: 3632 2032 3133 332c 2d39 3130 2e36 3220 62 2133,-910.62 \n-0001d320: 3231 3333 2c2d 3931 302e 3632 2032 3133 2133,-910.62 213\n-0001d330: 332c 2d32 3137 2e30 3520 3231 3333 2c2d 3,-217.05 2133,-\n-0001d340: 3137 392e 3534 2032 3131 362e 3136 2c2d 179.54 2116.16,-\n-0001d350: 3133 382e 3631 2032 3130 342e 3333 2c2d 138.61 2104.33,-\n-0001d360: 3131 342e 3439 222f 3e0a 3c70 6f6c 7967 114.49\"/>.<polyg\n-0001d370: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0001d380: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0001d390: 6622 2070 6f69 6e74 733d 2232 3130 372e f\" points=\"2107.\n-0001d3a0: 3433 2c2d 3131 322e 3836 2032 3039 392e 43,-112.86 2099.\n-0001d3b0: 3739 2c2d 3130 352e 3533 2032 3130 312e 79,-105.53 2101.\n-0001d3c0: 3139 2c2d 3131 362e 3033 2032 3130 372e 19,-116.03 2107.\n-0001d3d0: 3433 2c2d 3131 322e 3836 222f 3e0a 3c2f 43,-112.86\"/>.</\n-0001d3e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001d3f0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-0001d400: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-0001d410: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001d420: 6163 735f 6577 616c 6420 2d2d 3e0a 3c67 acs_ewald -->.<g\n-0001d430: 2069 643d 2265 6467 6532 3037 2220 636c id=\"edge207\" cl\n-0001d440: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001d450: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001d460: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-0001d470: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-0001d480: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001d490: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald..\n-0001d5f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n-0001d640: 0a3c 6720 6964 3d22 6564 6765 3230 3322 ..<\n-0001d660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001d670: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0001d680: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-0001d690: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d6a0: 735f 6d64 7275 6e3c 2f74 6974 6c65 3e0a s_mdrun.\n-0001d6b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-0001d8e0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001d8f0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-0001d900: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001d910: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random</t\n-0001d920: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001d930: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001d940: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n-0001d950: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0001d960: 224d 3130 3935 2e37 342c 2d31 3039 352e \"M1095.74,-1095.\n-0001d970: 3534 4331 3233 332e 3233 2c2d 3130 3931 54C1233.23,-1091\n-0001d980: 2e31 3220 3135 3736 2e37 382c 2d31 3037 .12 1576.78,-107\n-0001d990: 372e 3436 2031 3638 382c 2d31 3034 382e 7.46 1688,-1048.\n-0001d9a0: 3739 2031 3735 322e 3837 2c2d 3130 3332 79 1752.87,-1032\n-0001d9b0: 2e30 3720 3137 3833 2e36 382c 2d31 3033 .07 1783.68,-103\n-0001d9c0: 382e 3636 2031 3832 352c 2d39 3835 2e39 8.66 1825,-985.9\n-0001d9d0: 3220 3139 3139 2e34 312c 2d38 3635 2e34 2 1919.41,-865.4\n-0001d9e0: 3220 3138 3932 2e32 332c 2d37 3936 2e34 2 1892.23,-796.4\n-0001d9f0: 3420 3138 3732 2c2d 3634 342e 3720 3138 4 1872,-644.7 18\n-0001da00: 3634 2e31 342c 2d35 3835 2e37 3220 3138 64.14,-585.72 18\n-0001da10: 3633 2e38 362c 2d35 3634 2e38 3720 3138 63.86,-564.87 18\n-0001da20: 3236 2c2d 3531 382e 3936 2031 3734 332e 26,-518.96 1743.\n-0001da30: 3639 2c2d 3431 392e 3135 2031 3636 362e 69,-419.15 1666.\n-0001da40: 3733 2c2d 3435 362e 3638 2031 3538 342c 73,-456.68 1584,\n-0001da50: 2d33 3537 2e32 3220 3135 3638 2e38 312c -357.22 1568.81,\n-0001da60: 2d33 3338 2e39 3620 3135 3437 2e30 352c -338.96 1547.05,\n-0001da70: 2d32 3735 2e35 3920 3135 3336 2e30 312c -275.59 1536.01,\n-0001da80: 2d32 3431 2e33 3722 2f3e 0a3c 706f 6c79 -241.37\"/>.<poly\n-0001da90: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n-0001daa0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0001dab0: 706f 696e 7473 3d22 3135 3339 2e33 322c points=\"1539.32,\n-0001dac0: 2d32 3430 2e32 3320 3135 3332 2e39 342c -240.23 1532.94,\n-0001dad0: 2d32 3331 2e37 3720 3135 3332 2e36 352c -231.77 1532.65,\n-0001dae0: 2d32 3432 2e33 3620 3135 3339 2e33 322c -242.36 1539.32,\n-0001daf0: 2d32 3430 2e32 3322 2f3e 0a3c 2f67 3e0a -240.23\"/>.</g>.\n-0001db00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001db10: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-0001db20: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-0001db30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001db40: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n-0001db50: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n-0001db60: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-0001db70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001db80: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-0001db90: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-0001dba0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001dbb0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-0001dbc0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n-0001dd40: 0a3c 6720 6964 3d22 6564 6765 3230 3222 ..<\n-0001dd60: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001dd70: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0001dd80: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-0001dd90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001dda0: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-0001ddb0: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh...\n-0001df10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n-0001df80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001df90: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-0001dfa0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001dfb0: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils</titl\n-0001dfc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001dfd0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0001dfe0: 2220 643d 224d 3130 3936 2e35 352c 2d31 \" d=\"M1096.55,-1\n-0001dff0: 3039 372e 3133 4331 3330 352e 3533 2c2d 097.13C1305.53,-\n-0001e000: 3130 3936 2e34 3420 3230 3037 2e31 342c 1096.44 2007.14,\n-0001e010: 2d31 3039 302e 3937 2032 3039 382c 2d31 -1090.97 2098,-1\n-0001e020: 3034 382e 3739 2032 3135 322e 3236 2c2d 048.79 2152.26,-\n-0001e030: 3130 3233 2e36 2032 3139 342e 3334 2c2d 1023.6 2194.34,-\n-0001e040: 3936 332e 3835 2032 3231 332e 3933 2c2d 963.85 2213.93,-\n-0001e050: 3933 312e 3822 2f3e 0a3c 706f 6c79 676f 931.8\"/>.<polygo\n-0001e060: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n-0001e070: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n-0001e080: 3d22 3232 3136 2e39 362c 2d39 3333 2e35 =\"2216.96,-933.5\n-0001e090: 3620 3232 3139 2e30 372c 2d39 3233 2e31 6 2219.07,-923.1\n-0001e0a0: 3820 3232 3130 2e39 342c 2d39 3239 2e39 8 2210.94,-929.9\n-0001e0b0: 3820 3232 3136 2e39 362c 2d39 3333 2e35 8 2216.96,-933.5\n-0001e0c0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n-0001e0d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e0e0: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n-0001e0f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e100: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n-0001e110: 6720 6964 3d22 6564 6765 3231 3622 2063 g id=\"edge216\" c\n-0001e120: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001e130: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001e140: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-0001e150: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001e160: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-0001e170: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001e180: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001e190: 3d22 7265 6422 2064 3d22 4d35 3233 2e34 =\"red\" d=\"M523.4\n-0001e1a0: 362c 2d31 3539 2e37 3943 3437 372e 352c 6,-159.79C477.5,\n-0001e1b0: 2d31 3635 2e39 3120 3338 392e 3036 2c2d -165.91 389.06,-\n-0001e1c0: 3138 302e 3038 2033 3730 2c2d 3230 342e 180.08 370,-204.\n-0001e1d0: 3631 2033 3331 2e39 312c 2d32 3533 2e36 61 331.91,-253.6\n-0001e1e0: 3320 3336 332e 3938 2c2d 3432 382e 3632 3 363.98,-428.62\n-0001e1f0: 2033 3934 2c2d 3438 322e 3936 2034 3831 394,-482.96 481\n-0001e200: 2e35 382c 2d36 3431 2e34 3920 3731 342e .58,-641.49 714.\n-0001e210: 3938 2c2d 3639 362e 3520 3831 322e 3932 98,-696.5 812.92\n-0001e220: 2c2d 3731 332e 3336 222f 3e0a 3c70 6f6c ,-713.36\"/>.<pol\n-0001e230: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n-0001e240: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n-0001e250: 6e74 733d 2238 3132 2e33 362c 2d37 3136 nts=\"812.36,-716\n-0001e260: 2e38 3220 3832 322e 382c 2d37 3135 2e30 .82 822.8,-715.0\n-0001e270: 3120 3831 332e 3531 2c2d 3730 392e 3931 1 813.51,-709.91\n-0001e280: 2038 3132 2e33 362c 2d37 3136 2e38 3222 812.36,-716.82\"\n-0001e290: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001e2a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e2b0: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n-0001e2c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e2d0: 5f6e 626e 786d 202d 2d3e 0a3c 6720 6964 _nbnxm -->.<g id\n-0001e2e0: 3d22 6564 6765 3231 3922 2063 6c61 7373 =\"edge219\" class\n-0001e2f0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00019300: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n+00019310: 3d22 4d36 3237 2e31 372c 2d33 3938 2e37 =\"M627.17,-398.7\n+00019320: 3643 3536 342e 3135 2c2d 3338 322e 3338 6C564.15,-382.38\n+00019330: 2034 3138 2e35 352c 2d33 3334 2e35 3620 418.55,-334.56 \n+00019340: 3336 312c 2d32 3331 2e34 3820 3330 382e 361,-231.48 308.\n+00019350: 3533 2c2d 3133 372e 3520 3334 352e 3532 53,-137.5 345.52\n+00019360: 2c2d 3134 342e 3738 2035 3230 2c2d 3738 ,-144.78 520,-78\n+00019370: 2e38 3720 3630 302e 3435 2c2d 3438 2e34 .87 600.45,-48.4\n+00019380: 3820 3132 3031 2e32 332c 2d33 342e 3735 8 1201.23,-34.75\n+00019390: 2031 3337 392e 3336 2c2d 3331 2e33 3222 1379.36,-31.32\"\n+000193a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000193b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000193c0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+000193d0: 7473 3d22 3133 3739 2e35 372c 2d33 342e ts=\"1379.57,-34.\n+000193e0: 3832 2031 3338 392e 352c 2d33 312e 3133 82 1389.5,-31.13\n+000193f0: 2031 3337 392e 3433 2c2d 3237 2e38 3220 1379.43,-27.82 \n+00019400: 3133 3739 2e35 372c 2d33 342e 3832 222f 1379.57,-34.82\"/\n+00019410: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00019420: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00019430: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+00019440: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019450: 5f65 7761 6c64 202d 2d3e 0a3c 6720 6964 _ewald -->.<g id\n+00019460: 3d22 6564 6765 3136 3022 2063 6c61 7373 =\"edge160\" class\n+00019470: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00019480: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019490: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+000194a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000194b0: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n+000194c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000194d0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+000194e0: 2220 643d 224d 3634 332e 3236 2c2d 3339 \" d=\"M643.26,-39\n+000194f0: 332e 3837 4336 3336 2e32 382c 2d33 3834 3.87C636.28,-384\n+00019500: 2e31 3520 3632 382e 3834 2c2d 3336 392e .15 628.84,-369.\n+00019510: 3935 2036 3233 2c2d 3335 372e 3232 2035 95 623,-357.22 5\n+00019520: 3933 2e38 392c 2d32 3933 2e37 2035 3634 93.89,-293.7 564\n+00019530: 2e34 2c2d 3231 362e 3537 2035 3533 2e38 .4,-216.57 553.8\n+00019540: 322c 2d31 3738 2e39 3822 2f3e 0a3c 706f 2,-178.98\"/>.<po\n+00019550: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+00019560: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+00019570: 696e 7473 3d22 3535 372e 3135 2c2d 3137 ints=\"557.15,-17\n+00019580: 372e 3836 2035 3531 2e32 362c 2d31 3639 7.86 551.26,-169\n+00019590: 2e30 3520 3535 302e 3337 2c2d 3137 392e .05 550.37,-179.\n+000195a0: 3631 2035 3537 2e31 352c 2d31 3737 2e38 61 557.15,-177.8\n+000195b0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+000195c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000195d0: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+000195e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000195f0: 6163 735f 6d64 7275 6e20 2d2d 3e0a 3c67 acs_mdrun -->.<g\n+00019600: 2069 643d 2265 6467 6531 3633 2220 636c id=\"edge163\" cl\n+00019610: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00019620: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00019630: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00019640: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00019650: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74 gromacs_mdrun</t\n+00019660: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path 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726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n+0001a040: 6f69 6e74 733d 2231 3238 352e 3032 2c2d oints=\"1285.02,-\n+0001a050: 3130 3131 2e37 2031 3238 322e 3639 2c2d 1011.7 1282.69,-\n+0001a060: 3130 3232 2e30 3420 3132 3930 2e39 352c 1022.04 1290.95,\n+0001a070: 2d31 3031 352e 3431 2031 3238 352e 3032 -1015.41 1285.02\n+0001a080: 2c2d 3130 3131 2e37 222f 3e0a 3c2f 673e ,-1011.7\"/>.</g>\n+0001a090: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001a0a0: 5f67 726f 6d61 6373 5f65 6e65 7267 7961 _gromacs_energya\n+0001a0b0: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n+0001a0c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a0d0: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67 cs_fileio -->.<g\n+0001a0e0: 2069 643d 2265 6467 6531 3638 2220 636c id=\"edge168\" cl\n+0001a0f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001a100: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001a110: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n+0001a120: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+0001a130: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a140: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+0001a150: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001a160: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001a170: 2220 643d 224d 3133 3037 2e32 322c 2d39 \" d=\"M1307.22,-9\n+0001a180: 3538 2e37 3143 3132 3937 2e36 352c 2d39 58.71C1297.65,-9\n+0001a190: 3337 2e35 3620 3132 3738 2e34 312c 2d38 37.56 1278.41,-8\n+0001a1a0: 3935 2e30 3420 3132 3636 2e37 322c 2d38 95.04 1266.72,-8\n+0001a1b0: 3639 2e32 3222 2f3e 0a3c 706f 6c79 676f 69.22\"/>...\n+0001a230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+0001a280: 0a3c 6720 6964 3d22 6564 6765 3136 3922 ..<\n+0001a2a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001a2b0: 5f67 726f 6d61 6373 5f65 6e65 7267 7961 _gromacs_energya\n+0001a2c0: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n+0001a2d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a2e0: 6373 5f73 7461 7469 7374 6963 733c 2f74 cs_statistics....<\n+0001a3f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001a400: 726f 6d61 6373 5f75 7469 6c69 7479 202d romacs_utility -\n+0001a410: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3239 ->..\n+0001a430: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001a440: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+0001a450: 793c 2f74 6974 6c65 3e0a 3c67 2069 643d y...util\n+0001a570: 6974 793c 2f74 6578 743e 0a3c 2f61 3e0a ity..\n+0001a580: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ...\n+0001a760: 3c67 2069 643d 2265 6467 6531 3732 2220 .module_src_\n+0001a790: 6772 6f6d 6163 735f 7574 696c 6974 7926 gromacs_utility&\n+0001a7a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001a7b0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n+0001a7c0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t..\n+0001a860: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n+0001a950: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+0001a960: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a970: 6772 6f6d 6163 735f 7461 626c 6573 3c2f gromacs_tables..\n+0001aae0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n+0001ab30: 3c67 2069 643d 2265 6467 6531 3733 2220 .module_src_\n+0001ab60: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+0001ab70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ab80: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0001ab90: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......mod\n+0001adb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001adc0: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n+0001add0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ade0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+0001adf0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001ae00: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001ae10: 6662 6622 2064 3d22 4d37 3033 2c2d 3933 fbf\" d=\"M703,-93\n+0001ae20: 2e35 3143 3538 342e 3433 2c2d 3935 2e31 .51C584.43,-95.1\n+0001ae30: 3120 3137 372c 2d31 3038 2e35 3120 3137 1 177,-108.51 17\n+0001ae40: 372c 2d32 3137 2e30 3520 3137 372c 2d34 7,-217.05 177,-4\n+0001ae50: 3730 2e35 3320 3137 372c 2d34 3730 2e35 70.53 177,-470.5\n+0001ae60: 3320 3137 372c 2d34 3730 2e35 3320 3137 3 177,-470.53 17\n+0001ae70: 372c 2d35 3830 2e34 3320 3231 392e 3337 7,-580.43 219.37\n+0001ae80: 2c2d 3632 392e 3732 2033 3231 2c2d 3637 ,-629.72 321,-67\n+0001ae90: 312e 3537 2034 3038 2e36 362c 2d37 3037 1.57 408.66,-707\n+0001aea0: 2e36 3720 3639 342e 3131 2c2d 3731 362e .67 694.11,-716.\n+0001aeb0: 3937 2038 3038 2e37 322c 2d37 3139 2e32 97 808.72,-719.2\n+0001aec0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n+0001aed0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001aee0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0001aef0: 696e 7473 3d22 3830 382e 3838 2c2d 3732 ints=\"808.88,-72\n+0001af00: 322e 3738 2038 3138 2e39 352c 2d37 3139 2.78 818.95,-719\n+0001af10: 2e34 3720 3830 392e 3032 2c2d 3731 352e .47 809.02,-715.\n+0001af20: 3738 2038 3038 2e38 382c 2d37 3232 2e37 78 808.88,-722.7\n+0001af30: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>.</g>.<!-- m\n+0001af40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001af50: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+0001af60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001af70: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n+0001af80: 2069 643d 2265 6467 6531 3736 2220 636c id=\"edge176\" cl\n+0001af90: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001afa0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001afb0: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+0001afc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001afd0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+0001afe0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001aff0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001b000: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+0001b010: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001b020: 643d 224d 3736 372e 3031 2c2d 3933 2e33 d=\"M767.01,-93.3\n+0001b030: 3643 3839 332e 3933 2c2d 3933 2e38 3620 6C893.93,-93.86 \n+0001b040: 3133 3536 2e30 372c 2d39 382e 3631 2031 1356.07,-98.61 1\n+0001b050: 3430 332c 2d31 3431 2e37 3420 3134 3538 403,-141.74 1458\n+0001b060: 2e39 342c 2d31 3933 2e31 3520 3134 3633 .94,-193.15 1463\n+0001b070: 2e34 342c 2d34 3138 2e30 3320 3134 3234 .44,-418.03 1424\n+0001b080: 2c2d 3438 322e 3936 2031 3334 352e 3136 ,-482.96 1345.16\n+0001b090: 2c2d 3631 322e 3736 2031 3134 332e 3439 ,-612.76 1143.49\n+0001b0a0: 2c2d 3634 362e 3233 2031 3035 382e 3937 ,-646.23 1058.97\n+0001b0b0: 2c2d 3635 342e 3532 222f 3e0a 3c70 6f6c ,-654.52\"/>.<pol\n+0001b0c0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363 ygon fill=\"#2ccc\n+0001b0d0: 3238 2220 7374 726f 6b65 3d22 2332 6363 28\" stroke=\"#2cc\n+0001b0e0: 6332 3822 2070 6f69 6e74 733d 2231 3035 c28\" points=\"105\n+0001b0f0: 382e 3432 2c2d 3635 312e 3036 2031 3034 8.42,-651.06 104\n+0001b100: 382e 3738 2c2d 3635 352e 3436 2031 3035 8.78,-655.46 105\n+0001b110: 392e 3036 2c2d 3635 382e 3033 2031 3035 9.06,-658.03 105\n+0001b120: 382e 3432 2c2d 3635 312e 3036 222f 3e0a 8.42,-651.06\"/>.\n+0001b130: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001b140: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001b150: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+0001b160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0001b170: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22 wald -->.<g id=\"\n+0001b180: 6564 6765 3137 3522 2063 6c61 7373 3d22 edge175\" class=\"\n+0001b190: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001b1a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b1b0: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n+0001b1c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b1d0: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n+0001b1e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+0001b350: 6163 735f 6861 7264 7761 7265 2623 3435 acs_hardware-\n+0001b360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b370: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+0001b380: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s.....\n+0001b520: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001b530: 7263 5f67 726f 6d61 6373 5f72 6573 7472 rc_gromacs_restr\n+0001b540: 6169 6e74 3c2f 7469 746c 653e 0a3c 6720 aint...re\n+0001b660: 7374 7261 696e 743c 2f74 6578 743e 0a3c straint.<\n+0001b670: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....modu\n+0001b6f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+0001b700: 6573 7472 6169 6e74 2623 3435 3b26 6774 estraint->\n+0001b710: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001b720: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+0001b730: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001b740: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001b750: 6662 6662 6622 2064 3d22 4d39 3734 2e30 fbfbf\" d=\"M974.0\n+0001b760: 312c 2d32 3934 2e31 3943 3939 352e 3936 1,-294.19C995.96\n+0001b770: 2c2d 3332 352e 3636 2031 3034 382e 3739 ,-325.66 1048.79\n+0001b780: 2c2d 3431 312e 3734 2031 3032 362c 2d34 ,-411.74 1026,-4\n+0001b790: 3832 2e39 3620 3939 362e 3233 2c2d 3537 82.96 996.23,-57\n+0001b7a0: 352e 3939 2039 3135 2e31 2c2d 3636 332e 5.99 915.1,-663.\n+0001b7b0: 3635 2038 3737 2e31 322c 2d37 3031 2e30 65 877.12,-701.0\n+0001b7c0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0001b7d0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001b7e0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0001b7f0: 696e 7473 3d22 3837 342e 3434 2c2d 3639 ints=\"874.44,-69\n+0001b800: 382e 3735 2038 3639 2e37 2c2d 3730 382e 8.75 869.7,-708.\n+0001b810: 3233 2038 3739 2e33 312c 2d37 3033 2e37 23 879.31,-703.7\n+0001b820: 3820 3837 342e 3434 2c2d 3639 382e 3735 8 874.44,-698.75\n+0001b830: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001b840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b850: 5f72 6573 7472 6169 6e74 2623 3435 3b26 _restraint-&\n+0001b860: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001b870: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+0001b880: 0a3c 6720 6964 3d22 6564 6765 3137 3922 .<g id=\"edge179\"\n+0001b890: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001b8a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001b8b0: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n+0001b8c0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+0001b8d0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001b8e0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec....\n+0001bbe0: 0a3c 6720 6964 3d22 6564 6765 3138 3822 ..<\n+0001bc00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001bc10: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0001bc20: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0001bc30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001bc40: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n+0001bc50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n+0001be10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001be20: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0001be30: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0001be40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0001be50: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module_\n+0001c000: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0001c010: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+0001c020: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c030: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n+0001c040: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001c050: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001c060: 6662 6662 6622 2064 3d22 4d34 3234 2e36 fbfbf\" d=\"M424.6\n+0001c070: 392c 2d32 3331 2e35 3343 3430 352e 3637 9,-231.53C405.67\n+0001c080: 2c2d 3237 312e 3039 2033 3532 2e39 312c ,-271.09 352.91,\n+0001c090: 2d33 3936 2e31 3320 3339 392c 2d34 3832 -396.13 399,-482\n+0001c0a0: 2e39 3620 3432 302e 3836 2c2d 3532 342e .96 420.86,-524.\n+0001c0b0: 3135 2035 3233 2e36 2c2d 3539 312e 3635 15 523.6,-591.65\n+0001c0c0: 2035 3637 2c2d 3630 382e 3720 3634 322e 567,-608.7 642.\n+0001c0d0: 3535 2c2d 3633 382e 3339 2038 3837 2e38 55,-638.39 887.8\n+0001c0e0: 332c 2d36 3531 2e35 3820 3938 322e 3838 3,-651.58 982.88\n+0001c0f0: 2c2d 3635 352e 3636 222f 3e0a 3c70 6f6c ,-655.66\"/>.<pol\n+0001c100: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+0001c110: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+0001c120: 6662 6622 2070 6f69 6e74 733d 2239 3832 fbf\" points=\"982\n+0001c130: 2e37 382c 2d36 3539 2e31 3620 3939 322e .78,-659.16 992.\n+0001c140: 3932 2c2d 3635 362e 3038 2039 3833 2e30 92,-656.08 983.0\n+0001c150: 372c 2d36 3532 2e31 3720 3938 322e 3738 7,-652.17 982.78\n+0001c160: 2c2d 3635 392e 3136 222f 3e0a 3c2f 673e ,-659.16\"/>.</g>\n+0001c170: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001c180: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0001c190: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0001c1a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c1b0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0001c1c0: 6d69 6373 202d 2d3e 0a3c 6720 6964 3d22 mics -->.<g id=\"\n+0001c1d0: 6564 6765 3138 3922 2063 6c61 7373 3d22 edge189\" class=\"\n+0001c1e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001c1f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c200: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001c210: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001c220: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n+0001c230: 7469 616c 6479 6e61 6d69 6373 3c2f 7469 tialdynamics</ti\n+0001c240: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001c250: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001c260: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0001c270: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001c280: 3d22 4d34 3730 2e34 392c 2d32 3037 2e38 =\"M470.49,-207.8\n+0001c290: 4335 3135 2e35 342c 2d31 3937 2e32 3520 C515.54,-197.25 \n+0001c2a0: 3538 392e 3339 2c2d 3137 392e 3936 2036 589.39,-179.96 6\n+0001c2b0: 3339 2e30 372c 2d31 3638 2e33 3322 2f3e 39.07,-168.33\"/>\n+0001c2c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001c2d0: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0001c2e0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0001c2f0: 3d22 3634 302e 3034 2c2d 3137 312e 3720 =\"640.04,-171.7 \n+0001c300: 3634 382e 3938 2c2d 3136 362e 3031 2036 648.98,-166.01 6\n+0001c310: 3338 2e34 352c 2d31 3634 2e38 3820 3634 38.45,-164.88 64\n+0001c320: 302e 3034 2c2d 3137 312e 3722 2f3e 0a3c 0.04,-171.7\"/>.<\n+0001c330: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0001c340: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0001c350: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+0001c360: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c370: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+0001c380: 0a3c 6720 6964 3d22 6564 6765 3138 3522 .<g id=\"edge185\"\n+0001c390: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001c3a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001c3b0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0001c3c0: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0001c3d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c3e0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+0001c3f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001c400: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001c410: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001c420: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001c430: 3434 352e 3732 2c2d 3233 312e 3243 3438 445.72,-231.2C48\n+0001c440: 342e 3431 2c2d 3236 332e 3135 2035 3839 4.41,-263.15 589\n+0001c450: 2e31 372c 2d33 3439 2e36 3520 3633 352e .17,-349.65 635.\n+0001c460: 3032 2c2d 3338 372e 3522 2f3e 0a3c 706f 02,-387.5\"/>.<po\n+0001c470: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001c480: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001c490: 3266 6363 2220 706f 696e 7473 3d22 3633 2fcc\" points=\"63\n+0001c4a0: 322e 3932 2c2d 3339 302e 3331 2036 3432 2.92,-390.31 642\n+0001c4b0: 2e38 362c 2d33 3933 2e39 3820 3633 372e .86,-393.98 637.\n+0001c4c0: 3338 2c2d 3338 342e 3932 2036 3332 2e39 38,-384.92 632.9\n+0001c4d0: 322c 2d33 3930 2e33 3122 2f3e 0a3c 2f67 2,-390.31\"/>.</g\n+0001c4e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001c4f0: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n+0001c500: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n+0001c510: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001c520: 6163 735f 676d 786c 6962 202d 2d3e 0a3c acs_gmxlib -->.<\n+0001c530: 6720 6964 3d22 6564 6765 3138 3622 2063 g id=\"edge186\" c\n+0001c540: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001c550: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001c560: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+0001c570: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+0001c580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c590: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+0001c5a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n+0001c710: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c720: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0001c730: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0001c740: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+0001c750: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware..\n+0001c880: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0001ca90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001caa0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0001cab0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001cac0: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+0001cad0: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils......module_src_grom\n+0001ccd0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+0001cce0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+0001ccf0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+0001cd00: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces......\n+0001cec0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ced0: 6373 5f66 6674 2623 3435 3b26 6774 3b6d cs_fft->m\n+0001cee0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001cef0: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+0001cf00: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001cf10: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0001cf20: 2220 643d 224d 3230 3636 2e35 362c 2d38 \" d=\"M2066.56,-8\n+0001cf30: 382e 3838 4331 3936 362e 3035 2c2d 3739 8.88C1966.05,-79\n+0001cf40: 2e36 3720 3136 3036 2e38 312c 2d34 362e .67 1606.81,-46.\n+0001cf50: 3734 2031 3437 362e 3538 2c2d 3334 2e38 74 1476.58,-34.8\n+0001cf60: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0001cf70: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n+0001cf80: 7265 6422 2070 6f69 6e74 733d 2231 3437 red\" points=\"147\n+0001cf90: 362e 3739 2c2d 3331 2e33 2031 3436 362e 6.79,-31.3 1466.\n+0001cfa0: 3532 2c2d 3333 2e38 3720 3134 3736 2e31 52,-33.87 1476.1\n+0001cfb0: 352c 2d33 382e 3237 2031 3437 362e 3739 5,-38.27 1476.79\n+0001cfc0: 2c2d 3331 2e33 222f 3e0a 3c2f 673e 0a3c ,-31.3\"/>.</g>.<\n+0001cfd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001cfe0: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n+0001cff0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001d000: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n+0001d010: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001d020: 3932 2220 636c 6173 733d 2265 6467 6522 92\" class=\"edge\"\n+0001d030: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001d040: 7372 635f 6772 6f6d 6163 735f 6666 7426 src_gromacs_fft&\n+0001d050: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001d060: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001d070: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils....\n+0001d240: 0a3c 6720 6964 3d22 6564 6765 3230 3922 ..<\n+0001d260: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001d270: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+0001d280: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+0001d290: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d2a0: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70 s_imd.\n+0001d330: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n+0001d420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d430: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+0001d440: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001d450: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+0001d460: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+0001d470: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001d480: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001d490: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001d4a0: 6179 3d22 352c 3222 2064 3d22 4d31 3032 ay=\"5,2\" d=\"M102\n+0001d4b0: 372e 3335 2c2d 3130 3834 2e39 3143 3130 7.35,-1084.91C10\n+0001d4c0: 3038 2e38 342c 2d31 3036 332e 3531 2039 08.84,-1063.51 9\n+0001d4d0: 3730 2e35 392c 2d31 3031 392e 3237 2039 70.59,-1019.27 9\n+0001d4e0: 3438 2e32 362c 2d39 3933 2e34 3422 2f3e 48.26,-993.44\"/>\n+0001d4f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n+0001d5e0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0001d5f0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+0001d600: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001d610: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0001d620: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+0001d700: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0001d770: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+0001d990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d9a0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+0001d9b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001d9c0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0001d9d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s.....<\n+0001dd90: 6720 6964 3d22 6564 6765 3139 3522 2063 g id=\"edge195\" c\n+0001dda0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001ddc0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0001ddd0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0001dde0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ddf0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......module_src_gr\n+0001df60: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0001df70: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+0001df80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001df90: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......m\n+0001e120: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e130: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0001e140: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001e150: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001e160: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......module_src_gro\n-0001e4d0: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n-0001e4e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001e4f0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib....\n-0001e680: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-0001e6f0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0001e700: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-0001e710: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-0001e720: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec......\n-0001e8b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e8c0: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n-0001e8d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001e8e0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-0001e8f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001e900: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001e910: 6266 6266 2220 643d 224d 3537 312e 3734 bfbf\" d=\"M571.74\n-0001e920: 2c2d 3134 352e 3731 4336 3032 2e38 352c ,-145.71C602.85,\n-0001e930: 2d31 3334 2e36 3220 3636 312e 352c 2d31 -134.62 661.5,-1\n-0001e940: 3135 2e31 3820 3639 392e 3437 2c2d 3130 15.18 699.47,-10\n-0001e950: 332e 3335 222f 3e0a 3c70 6f6c 7967 6f6e 3.35\"/>.<polygon\n-0001e960: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-0001e970: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-0001e980: 2070 6f69 6e74 733d 2237 3030 2e35 392c points=\"700.59,\n-0001e990: 2d31 3036 2e36 3720 3730 392e 3132 2c2d -106.67 709.12,-\n-0001e9a0: 3130 302e 3337 2036 3938 2e35 332c 2d39 100.37 698.53,-9\n-0001e9b0: 392e 3938 2037 3030 2e35 392c 2d31 3036 9.98 700.59,-106\n-0001e9c0: 2e36 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .67\"/>.</g>.<!--\n-0001e9d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001e9e0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-0001e9f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001ea00: 6d61 6373 5f68 6172 6477 6172 6520 2d2d macs_hardware --\n-0001ea10: 3e0a 3c67 2069 643d 2265 6467 6532 3135 >.<g id=\"edge215\n-0001ea20: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001ea30: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001ea40: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-0001ea50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ea60: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-0001ea70: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......mod\n-0001ed80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ed90: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n-0001eda0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001edb0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n-0001edc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001edd0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0001ede0: 2220 643d 224d 3534 382e 342c 2d31 3638 \" d=\"M548.4,-168\n-0001edf0: 2e38 3443 3533 382e 392c 2d32 3139 2e31 .84C538.9,-219.1\n-0001ee00: 3320 3531 312e 3638 2c2d 3430 352e 3834 3 511.68,-405.84\n-0001ee10: 2036 3133 2c2d 3438 322e 3936 2036 3436 613,-482.96 646\n-0001ee20: 2e30 312c 2d35 3038 2e30 3820 3736 312e .01,-508.08 761.\n-0001ee30: 3037 2c2d 3532 312e 3733 2038 3237 2e35 07,-521.73 827.5\n-0001ee40: 362c 2d35 3237 2e36 3922 2f3e 0a3c 706f 6,-527.69\"/>.<po\n-0001ee50: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-0001ee60: 2073 7472 6f6b 653d 2272 6564 2220 706f 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6675 6e63 7469 6f6e 7326 2334 353b onfunctions-\n-0001ef60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001ef70: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0001ef80: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......module_src_gr\n-0001f0f0: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n-0001f100: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n-0001f110: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f120: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio......module_src_gr\n-0001f2f0: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n-0001f300: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n-0001f310: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f320: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft.....<\n-0001f4f0: 6720 6964 3d22 6e6f 6465 3430 2220 636c g id=\"node40\" cl\n-0001f500: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0001f520: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math..m\n-0001f5e0: 6174 683c 2f74 6578 743e 0a3c 2f67 3e0a ath..\n-0001f5f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-0001f7b0: 6720 6964 3d22 6564 6765 3233 3322 2063 g id=\"edge233\" c\n-0001f7c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001f7e0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0001f7f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001f800: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd..\n-0001f910: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n-0001fbb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001fbc0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-0001fbd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fbe0: 6d69 6d69 633c 2f74 6974 6c65 3e0a 3c70 mimic......m\n+0001e310: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+0001e320: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001e330: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+0001e340: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+0001e350: 6765 3230 3122 2063 6c61 7373 3d22 6564 ge201\" class=\"ed\n+0001e360: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001e370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001e380: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+0001e390: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001e3a0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n+0001e3b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001e3c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001e3d0: 2223 6266 6266 6266 2220 643d 224d 3937 \"#bfbfbf\" d=\"M97\n+0001e3e0: 392e 3138 2c2d 3130 3937 2e38 3943 3830 9.18,-1097.89C80\n+0001e3f0: 352e 3037 2c2d 3130 3939 2e32 3620 3239 5.07,-1099.26 29\n+0001e400: 342e 3633 2c2d 3130 3938 2e37 3720 3133 4.63,-1098.77 13\n+0001e410: 372c 2d31 3034 382e 3739 2037 362e 3938 7,-1048.79 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romacs_gmxprepro\n+0001e5f0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0001e600: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e610: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+0001e620: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+0001e7c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n+0001e840: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0001e850: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+0001e860: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001e870: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft.\n+0001e990: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n+0001ea80: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001ea90: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+0001eaa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001eab0: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+0001eac0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path 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6f6e 2066 696c 6c3d 2262 .\n+0001f120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0001f1a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f1b0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+0001f1c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001f1d0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+0001f1e0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+0001f1f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001f200: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001f210: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001f220: 6179 3d22 352c 3222 2064 3d22 4d39 3831 ay=\"5,2\" d=\"M981\n+0001f230: 2e35 362c 2d31 3039 342e 3239 4338 3938 .56,-1094.29C898\n+0001f240: 2e34 382c 2d31 3038 392e 3131 2037 3438 .48,-1089.11 748\n+0001f250: 2e31 312c 2d31 3037 362e 3138 2037 3032 .11,-1076.18 702\n+0001f260: 2c2d 3130 3438 2e37 3920 3535 332e 3536 ,-1048.79 553.56\n+0001f270: 2c2d 3936 302e 3632 2036 3032 2e37 352c ,-960.62 602.75,\n+0001f280: 2d36 3937 2e32 3320 3632 312e 332c 2d36 -697.23 621.3,-6\n+0001f290: 3138 2e36 3422 2f3e 0a3c 706f 6c79 676f 18.64\"/>.....modul\n+0001f390: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001f3a0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+0001f3b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001f3c0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0001f3d0: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh</title\n+0001f3e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001f3f0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001f400: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001f410: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001f420: 3130 3936 2e35 332c 2d31 3039 372e 3034 1096.53,-1097.04\n+0001f430: 4331 3235 352e 3337 2c2d 3130 3935 2e32 C1255.37,-1095.2\n+0001f440: 3720 3136 3839 2e32 2c2d 3130 3831 2e35 7 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0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001f540: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001f550: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+0001f560: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+0001f570: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720 estutils -->.<g \n+0001f580: 6964 3d22 6564 6765 3231 3122 2063 6c61 id=\"edge211\" cla\n+0001f590: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001f5a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001f5b0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0001f5c0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0001f5d0: 655f 7372 635f 7465 7374 7574 696c 733c e_src_testutils<\n+0001f5e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001f5f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001f600: 3d22 7265 6422 2064 3d22 4d31 3039 362e =\"red\" d=\"M1096.\n+0001f610: 3535 2c2d 3130 3937 2e31 3343 3133 3035 55,-1097.13C1305\n+0001f620: 2e35 332c 2d31 3039 362e 3434 2032 3030 .53,-1096.44 200\n+0001f630: 372e 3134 2c2d 3130 3930 2e39 3720 3230 7.14,-1090.97 20\n+0001f640: 3938 2c2d 3130 3438 2e37 3920 3231 3532 98,-1048.79 2152\n+0001f650: 2e32 362c 2d31 3032 332e 3620 3231 3934 .26,-1023.6 2194\n+0001f660: 2e33 342c 2d39 3633 2e38 3520 3232 3133 .34,-963.85 2213\n+0001f670: 2e39 332c 2d39 3331 2e38 222f 3e0a 3c70 .93,-931.8\"/>.<p\n+0001f680: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n+0001f690: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n+0001f6a0: 6f69 6e74 733d 2232 3231 362e 3936 2c2d oints=\"2216.96,-\n+0001f6b0: 3933 332e 3536 2032 3231 392e 3037 2c2d 933.56 2219.07,-\n+0001f6c0: 3932 332e 3138 2032 3231 302e 3934 2c2d 923.18 2210.94,-\n+0001f6d0: 3932 392e 3938 2032 3231 362e 3936 2c2d 929.98 2216.96,-\n+0001f6e0: 3933 332e 3536 222f 3e0a 3c2f 673e 0a3c 933.56\"/>.</g>.<\n+0001f6f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001f700: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001f710: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001f720: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+0001f730: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+0001f740: 3136 2220 636c 6173 733d 2265 6467 6522 16\" class=\"edge\"\n+0001f750: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001f760: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0001f770: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+0001f780: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0001f790: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.\n+0001f850: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+0001f900: 3c67 2069 643d 2265 6467 6532 3139 2220 .module_src_\n+0001f930: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+0001f940: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001f950: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm....<\n+0001fa80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001fa90: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001faa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001fab0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n+0001fac0: 3e0a 3c67 2069 643d 2265 6467 6532 3132 >..\n+0001fae0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001faf0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+0001fb00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001fb10: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0001fb20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0001fc30: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+0001fca0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0001fd10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fd20: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n 0001fd30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001fd40: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-0001fd50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001fd60: 6373 5f73 7761 703c 2f74 6974 6c65 3e0a cs_swap.\n-0001fd70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0001fe60: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-0001fed0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001fee0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-0001fef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ff00: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline</\n-0001ff10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001ff20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001ff30: 2223 3238 3266 6363 2220 643d 224d 3937 \"#282fcc\" d=\"M97\n-0001ff40: 322e 3636 2c2d 3335 332e 3537 4339 3933 2.66,-353.57C993\n-0001ff50: 2e32 382c 2d33 3632 2e33 3420 3130 3234 .28,-362.34 1024\n-0001ff60: 2e38 312c 2d33 3736 2e38 3520 3130 3530 .81,-376.85 1050\n-0001ff70: 2c2d 3339 332e 3232 2031 3038 362e 3437 ,-393.22 1086.47\n-0001ff80: 2c2d 3431 362e 3932 2031 3039 322e 3135 ,-416.92 1092.15\n-0001ff90: 2c2d 3432 372e 3538 2031 3132 352c 2d34 ,-427.58 1125,-4\n-0001ffa0: 3536 2e30 3920 3132 3033 2e39 362c 2d35 56.09 1203.96,-5\n-0001ffb0: 3234 2e36 3120 3134 3332 2e34 322c 2d36 24.61 1432.42,-6\n-0001ffc0: 3734 2e39 3620 3134 3735 2c2d 3737 302e 74.96 1475,-770.\n-0001ffd0: 3434 2031 3439 372e 3032 2c2d 3831 392e 44 1497.02,-819.\n-0001ffe0: 3832 2031 3433 362e 3533 2c2d 3836 372e 82 1436.53,-867.\n-0001fff0: 3431 2031 3339 372e 3733 2c2d 3839 312e 41 1397.73,-891.\n-00020000: 3737 222f 3e0a 3c70 6f6c 7967 6f6e 2066 77\"/>.<polygon f\n-00020010: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00020020: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00020030: 6f69 6e74 733d 2231 3339 352e 3539 2c2d oints=\"1395.59,-\n-00020040: 3838 382e 3938 2031 3338 382e 3838 2c2d 888.98 1388.88,-\n-00020050: 3839 372e 3137 2031 3339 392e 3234 2c2d 897.17 1399.24,-\n-00020060: 3839 342e 3936 2031 3339 352e 3539 2c2d 894.96 1395.59,-\n-00020070: 3838 382e 3938 222f 3e0a 3c2f 673e 0a3c 888.98\"/>.</g>.<\n-00020080: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020090: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000200a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000200b0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-000200c0: 696d 756c 6174 6f72 202d 2d3e 0a3c 6720 imulator -->.<g \n-000200d0: 6964 3d22 6564 6765 3233 3822 2063 6c61 id=\"edge238\" cla\n-000200e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000200f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00020100: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00020110: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00020120: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00020130: 756c 6174 6f72 3c2f 7469 746c 653e 0a3c ulator.<\n-00020140: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00020150: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00020160: 224d 3937 332e 3034 2c2d 3333 342e 3035 \"M973.04,-334.05\n-00020170: 4339 3737 2e36 342c 2d33 3332 2e37 3820 C977.64,-332.78 \n-00020180: 3938 322e 3434 2c2d 3333 312e 3531 2039 982.44,-331.51 9\n-00020190: 3837 2c2d 3333 302e 3335 2031 3034 312e 87,-330.35 1041.\n-000201a0: 3539 2c2d 3331 362e 3439 2031 3130 342e 59,-316.49 1104.\n-000201b0: 3632 2c2d 3330 322e 3120 3131 3438 2e39 62,-302.1 1148.9\n-000201c0: 322c 2d32 3932 2e36 3522 2f3e 0a3c 706f 2,-292.65\"/>....\n-000202a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000202b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000202c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000202d0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-000202e0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......modul\n-00020480: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020490: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-000204a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-000204b0: 7070 6c69 6564 5f66 6f72 6365 733c 2f74 pplied_forces</t\n-000204c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000204d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000204e0: 7265 6422 2064 3d22 4d39 3831 2e31 342c red\" d=\"M981.14,\n-000204f0: 2d33 3430 2e32 3943 3130 3931 2e31 312c -340.29C1091.11,\n-00020500: 2d33 3331 2e31 3720 3134 3732 2e31 332c -331.17 1472.13,\n-00020510: 2d32 3939 2e35 3720 3136 3232 2e38 392c -299.57 1622.89,\n-00020520: 2d32 3837 2e30 3722 2f3e 0a3c 706f 6c79 -287.07\"/>.<poly\n-00020530: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-00020540: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-00020550: 7473 3d22 3136 3233 2e32 342c 2d32 3930 ts=\"1623.24,-290\n-00020560: 2e35 3520 3136 3332 2e39 312c 2d32 3836 .55 1632.91,-286\n-00020570: 2e32 3320 3136 3232 2e36 362c 2d32 3833 .23 1622.66,-283\n-00020580: 2e35 3720 3136 3233 2e32 342c 2d32 3930 .57 1623.24,-290\n-00020590: 2e35 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .55\"/>.</g>.<!--\n-000205a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-000205b0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-000205c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000205d0: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c macs_nbnxm -->.<\n-000205e0: 6720 6964 3d22 6564 6765 3233 3922 2063 g id=\"edge239\" c\n-000205f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00020600: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00020610: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-00020620: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00020630: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n-00020640: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00020650: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 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795.33,\n-00020740: 2d34 3436 2e35 3520 3738 382e 3432 2c2d -446.55 788.42,-\n-00020750: 3434 352e 3422 2f3e 0a3c 2f67 3e0a 3c21 445.4\"/>.</g>.<!\n-00020760: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00020770: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00020780: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00020790: 726f 6d61 6373 5f70 756c 6c69 6e67 202d romacs_pulling -\n-000207a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3234 ->.<g id=\"edge24\n-000207b0: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n-000207c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000207d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000207e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000207f0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00020800: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing....<\n-00020930: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020940: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-00020950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00020960: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-00020970: 3e0a 3c67 2069 643d 2265 6467 6532 3335 >..\n-00020990: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-000209a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-000209b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000209c0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-000209d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n-00020b50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-00020f50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00020f60: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-00020f70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020f80: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00020f90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00020fa0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00020fb0: 2220 643d 224d 3932 342e 3039 2c2d 3335 \" d=\"M924.09,-35\n-00020fc0: 302e 3739 4338 3830 2e31 382c 2d33 3539 0.79C880.18,-359\n-00020fd0: 2e34 3920 3739 312e 3233 2c2d 3337 362e .49 791.23,-376.\n-00020fe0: 3431 2037 3136 2c2d 3339 332e 3232 2037 41 716,-393.22 7\n-00020ff0: 3130 2e32 342c 2d33 3934 2e35 3120 3730 10.24,-394.51 70\n-00021000: 342e 3133 2c2d 3339 352e 3936 2036 3938 4.13,-395.96 698\n-00021010: 2e30 372c 2d33 3937 2e34 222f 3e0a 3c70 .07,-397.4\"/>.....modu\n-00021100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00021110: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-00021120: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00021130: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-00021140: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00021150: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00021160: 2220 643d 224d 3934 322e 3137 2c2d 3333 \" d=\"M942.17,-33\n-00021170: 302e 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.module_src_\n-00021660: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00021670: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00021680: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n-00021690: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-000217c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000217d0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000217e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000217f0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-00021800: 676e 6d65 6e74 202d 2d3e 0a3c 6720 6964 gnment -->..\n-00021830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021840: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00021850: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00021860: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-00021870: 6e74 3c2f 7469 746c 653e 0a3c 7061 7468 nt..\n-00021930: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 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2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+00020080: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020090: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n+000200a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+00020200: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020210: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+00020220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00020230: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft..\n+00020330: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+000203b0: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+000203c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000203d0: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+000203e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_\n+00020560: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n+00020570: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n+00020580: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020590: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+000205a0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+000205b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00020690: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00020b30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00020b40: 7263 5f67 726f 6d61 6373 5f6d 6174 683c rc_gromacs_math<\n+00020b50: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+00020b60: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00020b70: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00020b80: 783d 2231 3834 3722 2063 793d 222d 3238 x=\"1847\" cy=\"-28\n+00020b90: 302e 3932 2220 7278 3d22 3237 2220 7279 0.92\" rx=\"27\" ry\n+00020ba0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+00020bb0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+00020bc0: 6464 6c65 2220 783d 2231 3834 3722 2079 ddle\" x=\"1847\" y\n+00020bd0: 3d22 2d32 3738 2e34 3222 2066 6f6e 742d =\"-278.42\" font-\n+00020be0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+00020bf0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+00020c00: 3030 223e 6d61 7468 3c2f 7465 7874 3e0a 00\">math</text>.\n+00020c10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00020c20: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+00020c30: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+00020c40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+00020c50: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265 pan -->.<g id=\"e\n+00020c60: 6467 6532 3233 2220 636c 6173 733d 2265 dge223\" class=\"e\n+00020c70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00020c80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020c90: 6d61 7468 2623 3435 3b26 6774 3b6d 6f64 math->mod\n+00020ca0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020cb0: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c mdspan.<\n+00020cc0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00020cd0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00020ce0: 224d 3138 3432 2e33 352c 2d32 3637 2e36 \"M1842.35,-267.6\n+00020cf0: 4331 3833 392e 3438 2c2d 3236 302e 3033 C1839.48,-260.03\n+00020d00: 2031 3833 352e 3733 2c2d 3235 302e 3120 1835.73,-250.1 \n+00020d10: 3138 3332 2e33 372c 2d32 3431 2e32 222f 1832.37,-241.2\"/\n+00020d20: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....module_\n+00020e00: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00020e10: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00020e20: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00020e30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n+00021020: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021030: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00021040: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021050: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+00021060: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00021070: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00021080: 2332 3832 6663 6322 2064 3d22 4d39 3536 #282fcc\" d=\"M956\n+00021090: 2e34 392c 2d33 3537 2e30 3243 3936 322e .49,-357.02C962.\n+000210a0: 3738 2c2d 3338 352e 3434 2039 3637 2e34 78,-385.44 967.4\n+000210b0: 332c 2d34 3538 2e31 3220 3936 392c 2d35 3,-458.12 969,-5\n+000210c0: 3138 2e39 3620 3937 332e 3236 2c2d 3638 18.96 973.26,-68\n+000210d0: 342e 3132 2039 3531 2e30 352c 2d38 3832 4.12 951.05,-882\n+000210e0: 2e36 2039 3337 2e39 342c 2d39 3438 2e37 .6 937.94,-948.7\n+000210f0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n+00021100: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00021110: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00021120: 696e 7473 3d22 3933 342e 3435 2c2d 3934 ints=\"934.45,-94\n+00021130: 382e 3339 2039 3335 2e37 372c 2d39 3538 8.39 935.77,-958\n+00021140: 2e39 2039 3431 2e32 392c 2d39 3439 2e38 .9 941.29,-949.8\n+00021150: 3620 3933 342e 3435 2c2d 3934 382e 3339 6 934.45,-948.39\n+00021160: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00021170: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021180: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00021190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000211a0: 735f 6d69 6d69 6320 2d2d 3e0a 3c67 2069 s_mimic -->.<g i\n+000211b0: 643d 2265 6467 6532 3434 2220 636c 6173 d=\"edge244\" clas\n+000211c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000211d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000211e0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+000211f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021200: 6d61 6373 5f6d 696d 6963 3c2f 7469 746c macs_mimic</titl\n+00021210: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00021220: 6f6e 6522 2073 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macs_mdrun-&\n+00021310: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00021320: 6f6d 6163 735f 7377 6170 202d 2d3e 0a3c omacs_swap -->.<\n+00021330: 6720 6964 3d22 6564 6765 3234 3122 2063 g id=\"edge241\" c\n+00021340: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00021350: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00021360: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00021370: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00021380: 6772 6f6d 6163 735f 7377 6170 3c2f 7469 gromacs_swap</ti\n+00021390: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000213a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000213b0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+000213c0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000213d0: 3d22 4d39 3231 2e30 342c 2d33 3430 2e31 =\"M921.04,-340.1\n+000213e0: 3343 3831 302e 3131 2c2d 3333 302e 3320 3C810.11,-330.3 \n+000213f0: 3432 322e 3837 2c2d 3239 352e 3939 2033 422.87,-295.99 3\n+00021400: 3031 2e30 312c 2d32 3835 2e31 3922 2f3e 01.01,-285.19\"/>\n+00021410: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00021420: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00021430: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00021440: 3d22 3330 302e 3939 2c2d 3238 312e 3638 =\"300.99,-281.68\n+00021450: 2032 3930 2e37 322c 2d32 3834 2e32 3820 290.72,-284.28 \n+00021460: 3330 302e 3337 2c2d 3238 382e 3635 2033 300.37,-288.65 3\n+00021470: 3030 2e39 392c 2d32 3831 2e36 3822 2f3e 00.99,-281.68\"/>\n+00021480: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00021490: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000214a0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+000214b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+000214c0: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c ommandline -->.<\n+000214d0: 6720 6964 3d22 6564 6765 3232 3522 2063 g id=\"edge225\" c\n+000214e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+000214f0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00021500: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00021510: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00021520: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+00021530: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine...<\n+000216a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+000218d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000218e0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+000218f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021900: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00021910: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+00021a30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00021a40: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00021a50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f 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6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00021e10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021e20: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n+00021e30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n+00021f50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+00021fc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00021fd0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00021fe0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021ff0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......mod\n+000221f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022200: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00022210: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022220: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+00022230: 6373 3c2f 7469 746c 653e 0a3c 7061 7468 cs......modu\n+000223c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000223d0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+000223e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000223f0: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+00022400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00022410: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00022420: 2220 643d 224d 3936 312e 3731 2c2d 3335 \" d=\"M961.71,-35\n+00022430: 362e 3534 4339 3739 2e33 332c 2d33 3736 6.54C979.33,-376\n+00022440: 2e32 3120 3130 3134 2e39 372c 2d34 3137 .21 1014.97,-417\n+00022450: 2e34 3720 3130 3430 2c2d 3435 362e 3039 .47 1040,-456.09\n+00022460: 2031 3132 372e 3738 2c2d 3539 312e 3533 1127.78,-591.53\n+00022470: 2031 3231 362e 3438 2c2d 3736 342e 3734 1216.48,-764.74\n+00022480: 2031 3234 362e 342c 2d38 3234 2e34 3222 1246.4,-824.42\"\n+00022490: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....module_src_grom\n+00022580: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00022590: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000225a0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec......module_src_grom\n+00022730: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00022740: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00022750: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib...\n 00022890: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-00022900: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022910: 735f 6770 755f 7574 696c 7326 2334 353b s_gpu_utils-\n-00022920: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00022930: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility</\n-00022940: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00022950: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00022960: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-00022970: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00022980: 2064 3d22 4d39 3034 2e35 2c2d 3534 312e d=\"M904.5,-541.\n-00022990: 3836 4339 3335 2e36 392c 2d35 3532 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7263 5f67 726f - module_src_gro\n-00022c50: 6d61 6373 5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n-00022c60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00022c70: 635f 6772 6f6d 6163 735f 6d61 7468 202d c_gromacs_math -\n-00022c80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235 ->.<g id=\"edge25\n-00022c90: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-00022ca0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00022cb0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00022cc0: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n-00022cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022ce0: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math......\n-00022eb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022ec0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-00022ed0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00022ee0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00022ef0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n-00022f00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n-000230b0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-000230c0: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-000230d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000230e0: 6f6d 6163 735f 7461 626c 6573 3c2f 7469 omacs_tables</ti\n-000230f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00023100: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00023110: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00023120: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00023130: 3d22 4d36 3734 2e35 392c 2d35 3930 2e33 =\"M674.59,-590.3\n-00023140: 3643 3730 362e 3431 2c2d 3538 372e 3820 6C706.41,-587.8 \n-00023150: 3734 392e 322c 2d35 3834 2e34 3520 3738 749.2,-584.45 78\n-00023160: 372c 2d35 3831 2e38 3320 3130 3736 2e32 7,-581.83 1076.2\n-00023170: 382c 2d35 3631 2e37 3820 3134 3235 2e30 8,-561.78 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645f _gromacs_listed_\n-00023810: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00023820: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023830: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n-00023840: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n-00023a20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023a30: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-00023a40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00023a50: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00023a60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00023b20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n-00023b90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-00023e00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023e10: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00023e20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00023e30: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00023e40: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils..<\n-00023eb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00023ec0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00023ed0: 706f 696e 7473 3d22 3833 362e 3135 2c2d points=\"836.15,-\n-00023ee0: 3534 362e 3734 2038 3435 2e30 332c 2d35 546.74 845.03,-5\n-00023ef0: 3430 2e39 3720 3833 342e 3438 2c2d 3533 40.97 834.48,-53\n-00023f00: 392e 3934 2038 3336 2e31 352c 2d35 3436 9.94 836.15,-546\n-00023f10: 2e37 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .74\"/>....modu\n+00022900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00022910: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00022920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022930: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n+00022940: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+00022a00: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00022a10: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00022a20: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00022a30: 3133 3839 2e37 312c 2d34 3420 3133 3938 1389.71,-44 1398\n+00022a40: 2e34 342c 2d33 372e 3939 2031 3338 372e .44,-37.99 1387.\n+00022a50: 3837 2c2d 3337 2e32 3420 3133 3839 2e37 87,-37.24 1389.7\n+00022a60: 312c 2d34 3422 2f3e 0a3c 2f67 3e0a 3c21 1,-44\"/>....module\n+00022ae0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00022af0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00022b00: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+00022b10: 7374 7261 696e 743c 2f74 6974 6c65 3e0a straint.\n+00022b20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00022c10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00022c80: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00022c90: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00022ca0: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n+00022cb0: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions...<\n+00022de0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00022e30: 3c67 2069 643d 2265 6467 6532 3432 2220 .module_src_\n+00022e60: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00022e70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00022e80: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+00022e90: 6967 6e6d 656e 743c 2f74 6974 6c65 3e0a ignment.\n+00022ea0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module\n+00023030: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00023040: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00023050: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+00023060: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald....<\n+00023190: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000231a0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000231b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000231c0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+000231d0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->..modul\n+00023200: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00023210: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00023220: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00023230: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+00023240: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+000233d0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+000233e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000233f0: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469 omacs_random......module_src_gro\n+000235d0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+000235e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000235f0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00023600: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces....<\n+00023750: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00023760: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00023770: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00023780: 6772 6f6d 6163 735f 636f 6d70 6174 202d gromacs_compat -\n+00023790: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232 ->.\n+000237b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000237c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000237d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000237e0: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+000237f0: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at.\n+000238a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n+00023990: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000239a0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+000239b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000239c0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+000239d0: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70 s_awh......module_\n+00023bd0: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00023be0: 7574 696c 7326 2334 353b 2667 743b 6d6f utils->mo\n+00023bf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00023c00: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00023c10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+00023d80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00023d90: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n+00023da0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00023db0: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm</tit\n+00023dc0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00023dd0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00023de0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00023df0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00023e00: 224d 3835 352e 3538 2c2d 3532 302e 3739 \"M855.58,-520.79\n+00023e10: 4338 3431 2e32 362c 2d35 3131 2e38 3820 C841.26,-511.88 \n+00023e20: 3832 322e 3435 2c2d 3439 382e 3935 2038 822.45,-498.95 8\n+00023e30: 3038 2e33 382c 2d34 3838 2e34 3322 2f3e 08.38,-488.43\"/>\n+00023e40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00023e50: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00023e60: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00023e70: 3d22 3831 302e 3337 2c2d 3438 352e 3535 =\"810.37,-485.55\n+00023e80: 2038 3030 2e33 312c 2d34 3832 2e32 3520 800.31,-482.25 \n+00023e90: 3830 362e 3132 2c2d 3439 312e 3131 2038 806.12,-491.11 8\n+00023ea0: 3130 2e33 372c 2d34 3835 2e35 3522 2f3e 10.37,-485.55\"/>\n+00023eb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00023ec0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+00023ed0: 755f 7574 696c 7326 2334 353b 2667 743b u_utils->\n+00023ee0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023ef0: 6373 5f75 7469 6c69 7479 202d 2d3e 0a3c cs_utility -->.<\n+00023f00: 6720 6964 3d22 6564 6765 3235 3322 2063 g id=\"edge253\" c\n+00023f10: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00023f20: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00023f30: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n 00023f40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023f50: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n-00023f60: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->.<g id=\"e\n-00023f70: 6467 6532 3633 2220 636c 6173 733d 2265 dge263\" class=\"e\n-00023f80: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00023f90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023fa0: 636f 6f72 6469 6e61 7465 696f 2623 3435 coordinateio-\n-00023fb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00023fc0: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n-00023fd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00023fe0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00023ff0: 3d22 2332 6363 6332 3822 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6d61 6373 5f74 696d 696e 6720 2d2d romacs_timing --\n-000241d0: 3e0a 3c67 2069 643d 226e 6f64 6534 3722 >.<g id=\"node47\"\n-000241e0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n-000241f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00024200: 5f67 726f 6d61 6373 5f74 696d 696e 673c _gromacs_timing<\n-00024210: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n-00024220: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00024230: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-00024240: 783d 2238 3038 2220 6379 3d22 2d37 3833 x=\"808\" cy=\"-783\n-00024250: 2e38 3822 2072 783d 2233 302e 3331 2220 .88\" rx=\"30.31\" \n-00024260: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n-00024270: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n-00024280: 6d69 6464 6c65 2220 783d 2238 3038 2220 middle\" x=\"808\" \n-00024290: 793d 222d 3738 312e 3338 2220 666f 6e74 y=\"-781.38\" font\n-000242a0: 2d66 616d 696c 793d 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fi\n-00024390: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000243a0: 3d22 2362 6662 6662 6622 2064 3d22 4d38 =\"#bfbfbf\" d=\"M8\n-000243b0: 3137 2e36 382c 2d37 3730 2e38 3543 3832 17.68,-770.85C82\n-000243c0: 342e 3332 2c2d 3736 322e 3620 3833 332e 4.32,-762.6 833.\n-000243d0: 332c 2d37 3531 2e34 3520 3834 302e 3939 3,-751.45 840.99\n-000243e0: 2c2d 3734 312e 3839 222f 3e0a 3c70 6f6c ,-741.89\"/>.<pol\n-000243f0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00024400: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00024410: 6662 6622 2070 6f69 6e74 733d 2238 3433 fbf\" points=\"843\n-00024420: 2e38 2c2d 3734 332e 3939 2038 3437 2e33 .8,-743.99 847.3\n-00024430: 342c 2d37 3334 2e30 3120 3833 382e 3334 4,-734.01 838.34\n-00024440: 2c2d 3733 392e 3620 3834 332e 382c 2d37 ,-739.6 843.8,-7\n-00024450: 3433 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21 43.99\"/>.</g>.<!\n+00023f50: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+00023f60: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity......module_src_grom\n+000240e0: 6163 735f 6770 755f 7574 696c 7326 2334 acs_gpu_utils\n+000240f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00024100: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+00024110: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......mod\n+000242d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000242e0: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n+000242f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00024300: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math</title\n+00024310: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00024320: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00024330: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00024340: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00024350: 3833 392e 3833 2c2d 3532 362e 3843 3735 839.83,-526.8C75\n+00024360: 332e 3133 2c2d 3531 342e 3335 2035 3435 3.13,-514.35 545\n+00024370: 2e34 322c 2d34 3735 2e32 3620 3631 322c .42,-475.26 612,\n+00024380: 2d33 3933 2e32 3220 3731 322e 3034 2c2d -393.22 712.04,-\n+00024390: 3236 392e 3935 2031 3137 382e 3636 2c2d 269.95 1178.66,-\n+000243a0: 3334 332e 3539 2031 3735 312c 2d32 3934 343.59 1751,-294\n+000243b0: 2e33 3520 3137 3731 2e31 362c 2d32 3932 .35 1771.16,-292\n+000243c0: 2e36 3220 3137 3933 2e35 382c 2d32 3839 .62 1793.58,-289\n+000243d0: 2e37 3620 3138 3131 2e36 392c 2d32 3837 .76 1811.69,-287\n+000243e0: 2e32 3322 2f3e 0a3c 706f 6c79 676f 6e20 .23\"/>.<polygon \n+000243f0: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+00024400: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+00024410: 706f 696e 7473 3d22 3138 3132 2e33 392c points=\"1812.39,\n+00024420: 2d32 3930 2e36 3620 3138 3231 2e38 2c2d -290.66 1821.8,-\n+00024430: 3238 352e 3738 2031 3831 312e 342c 2d32 285.78 1811.4,-2\n+00024440: 3833 2e37 3320 3138 3132 2e33 392c 2d32 83.73 1812.39,-2\n+00024450: 3930 2e36 3622 2f3e 0a3c 2f67 3e0a 3c21 90.66\"/>.</g>.<!\n 00024460: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00024470: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-00024480: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n-00024490: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000244a0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-000244b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000244c0: 3237 3322 2063 6c61 7373 3d22 6564 6765 273\" class=\"edge\n-000244d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000244e0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000244f0: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-00024500: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024510: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00024520: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-00024530: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n-00024720: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024730: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00024740: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n-00024750: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024760: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-00024770: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-00024900: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00024910: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n-00024920: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024930: 6373 5f74 7261 6a65 6374 6f72 793c 2f74 cs_trajectory......module_src_gro\n-00024b00: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00024b10: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n-00024b20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024b30: 6373 5f6d 6473 7061 6e3c 2f74 6974 6c65 cs_mdspan..\n-00024d10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n-00024d90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00024da0: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n-00024db0: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n-00024dc0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00024dd0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......module_src_gr\n-00024f40: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-00024f50: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n-00024f60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00024f70: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib......module_src_test\n-00025590: 7574 696c 7326 2334 353b 2667 743b 6d6f utils->mo\n-000255a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000255b0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware....\n-000256e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-00025750: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n-00025760: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00025770: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568 _gromacs_onlineh\n-00025780: 656c 703c 2f74 6974 6c65 3e0a 3c70 6174 elp......m\n-00025920: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n-00025930: 696c 7326 2334 353b 2667 743b 6d6f 6475 ils->modu\n-00025940: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00025950: 6d78 7072 6570 726f 6365 7373 3c2f 7469 mxpreprocess</ti\n-00025960: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00025970: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00025980: 6266 6266 6266 2220 643d 224d 3232 3233 bfbfbf\" d=\"M2223\n-00025990: 2e34 342c 2d39 3233 2e31 3843 3232 3139 .44,-923.18C2219\n-000259a0: 2e38 342c 2d39 3338 2e38 3520 3232 3132 .84,-938.85 2212\n-000259b0: 2e31 382c 2d39 3636 2032 3139 392c 2d39 .18,-966 2199,-9\n-000259c0: 3835 2e39 3220 3231 3736 2e32 392c 2d31 85.92 2176.29,-1\n-000259d0: 3032 302e 3235 2032 3136 382e 3939 2c2d 020.25 2168.99,-\n-000259e0: 3130 3332 2e39 3420 3231 3331 2c2d 3130 1032.94 2131,-10\n-000259f0: 3438 2e37 3920 3230 3336 2e39 312c 2d31 48.79 2036.91,-1\n-00025a00: 3038 382e 3035 2031 3333 312e 3836 2c2d 088.05 1331.86,-\n-00025a10: 3130 3935 2e35 3220 3131 3036 2e38 322c 1095.52 1106.82,\n-00025a20: 2d31 3039 362e 3932 222f 3e0a 3c70 6f6c -1096.92\"/>.<pol\n-00025a30: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00025a40: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00025a50: 6662 6622 2070 6f69 6e74 733d 2231 3130 fbf\" points=\"110\n-00025a60: 362e 3736 2c2d 3130 3933 2e34 3220 3130 6.76,-1093.42 10\n-00025a70: 3936 2e37 382c 2d31 3039 362e 3938 2031 96.78,-1096.98 1\n-00025a80: 3130 362e 382c 2d31 3130 302e 3432 2031 106.8,-1100.42 1\n-00025a90: 3130 362e 3736 2c2d 3130 3933 2e34 3222 106.76,-1093.42\"\n-00025aa0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00025ab0: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n-00025ac0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00025ad0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-00025ae0: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964 _utils -->.<g id\n-00025af0: 3d22 6564 6765 3236 3522 2063 6c61 7373 =\"edge265\" class\n-00025b00: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00025b10: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-00025b20: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n+00024470: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00024480: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00024490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000244a0: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n+000244b0: 3c67 2069 643d 2265 6467 6532 3631 2220 <g id=\"edge261\" \n+000244c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000244d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000244e0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000244f0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00024500: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024510: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+00024520: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00024530: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00024540: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00024550: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00024560: 643d 224d 3634 342e 332c 2d36 3038 2e31 d=\"M644.3,-608.1\n+00024570: 3143 3637 302e 3935 2c2d 3632 372e 3931 1C670.95,-627.91\n+00024580: 2037 3139 2c2d 3637 302e 3438 2037 3139 719,-670.48 719\n+00024590: 2c2d 3732 302e 3031 2037 3139 2c2d 3834 ,-720.01 719,-84\n+000245a0: 372e 3735 2037 3139 2c2d 3834 372e 3735 7.75 719,-847.75\n+000245b0: 2037 3139 2c2d 3834 372e 3735 2037 3139 719,-847.75 719\n+000245c0: 2c2d 3838 372e 3631 2038 3332 2e32 322c ,-887.61 832.22,\n+000245d0: 2d39 3335 2e32 3920 3839 332e 3138 2c2d -935.29 893.18,-\n+000245e0: 3935 382e 3038 222f 3e0a 3c70 6f6c 7967 958.08\"/>.<polyg\n+000245f0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00024600: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00024610: 6322 2070 6f69 6e74 733d 2238 3932 2e32 c\" points=\"892.2\n+00024620: 352c 2d39 3631 2e34 3720 3930 322e 3835 5,-961.47 902.85\n+00024630: 2c2d 3936 312e 3635 2038 3934 2e36 382c ,-961.65 894.68,\n+00024640: 2d39 3534 2e39 2038 3932 2e32 352c 2d39 -954.9 892.25,-9\n+00024650: 3631 2e34 3722 2f3e 0a3c 2f67 3e0a 3c21 61.47\"/>.</g>.<!\n+00024660: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00024670: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00024680: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00024690: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000246a0: 6162 6c65 7320 2d2d 3e0a 3c67 2069 643d ables -->.<g id=\n+000246b0: 2265 6467 6532 3630 2220 636c 6173 733d \"edge260\" class=\n+000246c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000246d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000246e0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+000246f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00024700: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+00024710: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modu\n+000248b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+000248c0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+000248d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000248e0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+000248f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00024900: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00024910: 3d22 7265 6422 2064 3d22 4d36 3533 2e31 =\"red\" d=\"M653.1\n+00024920: 362c 2d36 3037 2e30 3443 3637 332e 332c 6,-607.04C673.3,\n+00024930: 2d36 3135 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2f67 3e0a 3c21 87.19\"/>.</g>.<!\n+00024bf0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00024c00: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00024c10: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00024c20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00024c30: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22 dlib -->.<g id=\"\n+00024c40: 6564 6765 3235 3522 2063 6c61 7373 3d22 edge255\" class=\"\n+00024c50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00024c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024c70: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00024c80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00024c90: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+00024ca0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00024cb0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00024cc0: 3d22 2362 6662 6662 6622 2064 3d22 4d36 =\"#bfbfbf\" 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756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024dc0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+00024dd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00024de0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00024df0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n+00024e00: 6532 3632 2220 636c 6173 733d 2265 6467 e262\" class=\"edg\n+00024e10: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00024e20: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00024e30: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00024e40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00024e50: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00024e60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00024e70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00024e80: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00024e90: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00024ea0: 643d 224d 3632 392e 3032 2c2d 3538 312e d=\"M629.02,-581.\n+00024eb0: 3636 4336 3334 2e35 392c 2d35 3731 2e39 66C634.59,-571.9\n+00024ec0: 3720 3634 342e 3631 2c2d 3535 382e 3139 7 644.61,-558.19\n+00024ed0: 2036 3533 2c2d 3534 352e 3833 2036 3632 653,-545.83 662\n+00024ee0: 2e33 2c2d 3533 322e 3133 2036 3838 2e33 .3,-532.13 688.3\n+00024ef0: 372c 2d34 3938 2e38 3620 3639 332c 2d34 7,-498.86 693,-4\n+00024f00: 3832 2e39 3620 3639 362e 3334 2c2d 3437 82.96 696.34,-47\n+00024f10: 312e 3439 2036 3937 2e33 372c 2d34 3637 1.49 697.37,-467\n+00024f20: 2e32 3120 3639 332c 2d34 3536 2e30 3920 .21 693,-456.09 \n+00024f30: 3638 382e 3732 2c2d 3434 352e 3139 2036 688.72,-445.19 6\n+00024f40: 3830 2e37 312c 2d34 3335 2e32 3920 3637 80.71,-435.29 67\n+00024f50: 332e 3138 2c2d 3432 372e 3332 222f 3e0a 3.18,-427.32\"/>.\n+00024f60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00024f70: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+00024f80: 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6475 ces->modu\n+00025070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00025080: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......modu\n+00025230: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00025240: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+00025250: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025260: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00025270: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+000253b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n+00025400: 6720 6964 3d22 6564 6765 3235 3722 2063 g id=\"edge257\" c\n+00025410: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00025430: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00025440: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00025450: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025460: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils...\n+00025540: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n+000255c0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+000255d0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+000255e0: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+000255f0: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions...<\n+000257d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00025820: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+00025830: 6d69 6e67 3c2f 7469 746c 653e 0a3c 656c ming..timing\n+000258f0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ...\n+00025960: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00025970: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+00025980: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+00025990: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+000259a0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.\n+00025a10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n+00025b00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025b10: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00025b20: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n 00025b30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00025b40: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-00025b50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00025b60: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00025b70: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00025b80: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00025b90: 3232 3335 2e30 362c 2d38 3936 2e33 3343 2235.06,-896.33C\n-00025ba0: 3232 3439 2e39 362c 2d38 3734 2e38 3820 2249.96,-874.88 \n-00025bb0: 3232 3738 2c2d 3832 382e 3638 2032 3237 2278,-828.68 227\n-00025bc0: 382c 2d37 3834 2e38 3820 3232 3738 2c2d 8,-784.88 2278,-\n-00025bd0: 3738 342e 3838 2032 3237 382c 2d37 3834 784.88 2278,-784\n-00025be0: 2e38 3820 3232 3738 2c2d 3635 372e 3134 .88 2278,-657.14\n-00025bf0: 2032 3237 382c 2d35 3837 2e37 3720 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7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n-00025fa0: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n-00025fb0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00025fc0: 7861 6e61 202d 2d3e 0a3c 6720 6964 3d22 xana -->.<g id=\"\n-00025fd0: 6564 6765 3238 3022 2063 6c61 7373 3d22 edge280\" class=\"\n-00025fe0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00025ff0: 6475 6c65 5f73 7263 5f70 726f 6772 616d dule_src_program\n-00026000: 735f 6d64 7275 6e5f 7465 7374 7326 2334 s_mdrun_tests\n-00026010: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00026020: 5f67 726f 6d61 6373 5f67 6d78 616e 613c _gromacs_gmxana<\n-00026030: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00026040: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00026050: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-00026060: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00026070: 2220 643d 224d 3232 3739 2e39 382c 2d32 \" 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6e74 733d 2231 3331 392e 3431 2c2d 3130 nts=\"1319.41,-10\n-00026170: 3238 2e35 3620 3133 3039 2e36 312c 2d31 28.56 1309.61,-1\n-00026180: 3033 322e 3539 2031 3331 392e 3738 2c2d 032.59 1319.78,-\n-00026190: 3130 3335 2e35 3520 3133 3139 2e34 312c 1035.55 1319.41,\n-000261a0: 2d31 3032 382e 3536 222f 3e0a 3c2f 673e -1028.56\"/>.</g>\n-000261b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-000261c0: 5f70 726f 6772 616d 735f 6d64 7275 6e5f _programs_mdrun_\n-000261d0: 7465 7374 7326 2334 353b 2667 743b 6d6f tests->mo\n-000261e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000261f0: 5f74 7261 6a65 6374 6f72 7920 2d2d 3e0a _trajectory -->.\n-00026200: 3c67 2069 643d 2265 6467 6532 3737 2220 <g id=\"edge277\" \n-00026210: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00026220: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00026230: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74 programs_mdrun_t\n-00026240: 6573 7473 2623 3435 3b26 6774 3b6d 6f64 ests->mod\n-00026250: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026260: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory</titl\n-00026270: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00026280: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n-00026290: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n-000262a0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000262b0: 4d32 3238 362e 3034 2c2d 3233 312e 3737 M2286.04,-231.77\n-000262c0: 4332 3331 312e 362c 2d32 3635 2e38 3320 C2311.6,-265.83 \n-000262d0: 3233 3734 2e30 382c 2d33 3630 2e35 2032 2374.08,-360.5 2\n-000262e0: 3332 392c 2d34 3230 2e30 3920 3232 3538 329,-420.09 2258\n-000262f0: 2e39 312c 2d35 3132 2e37 3520 3138 3932 .91,-512.75 1892\n-00026300: 2e33 392c 2d35 3730 2e32 3420 3137 3630 .39,-570.24 1760\n-00026310: 2e34 312c 2d35 3838 2e32 222f 3e0a 3c70 .41,-588.2\"/>.<p\n-00026320: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n-00026330: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n-00026340: 6363 6332 3822 2070 6f69 6e74 733d 2231 ccc28\" points=\"1\n-00026350: 3735 392e 3636 2c2d 3538 342e 3737 2031 759.66,-584.77 1\n-00026360: 3735 302e 3232 2c2d 3538 392e 3537 2031 750.22,-589.57 1\n-00026370: 3736 302e 362c 2d35 3931 2e37 2031 3735 760.6,-591.7 175\n-00026380: 392e 3636 2c2d 3538 342e 3737 222f 3e0a 9.66,-584.77\"/>.\n-00026390: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-000263a0: 5f73 7263 5f70 726f 6772 616d 735f 6d64 _src_programs_md\n-000263b0: 7275 6e5f 7465 7374 7326 2334 353b 2667 run_tests-&g\n-000263c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000263d0: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a macs_mdspan -->.\n-000263e0: 3c67 2069 643d 2265 6467 6532 3835 2220 <g id=\"edge285\" \n-000263f0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00026400: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00026410: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74 programs_mdrun_t\n-00026420: 6573 7473 2623 3435 3b26 6774 3b6d 6f64 ests->mod\n-00026430: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026440: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c mdspan.<\n-00026450: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00026460: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00026470: 224d 3232 3434 2e39 342c 2d32 3330 2e36 \"M2244.94,-230.6\n-00026480: 3243 3232 3235 2e37 322c 2d32 3337 2e37 2C2225.72,-237.7\n-00026490: 3220 3232 3030 2e33 342c 2d32 3435 2e38 2 2200.34,-245.8\n-000264a0: 3620 3231 3737 2c2d 3234 392e 3438 2032 6 2177,-249.48 2\n-000264b0: 3039 302e 3034 2c2d 3236 322e 3936 2032 090.04,-262.96 2\n-000264c0: 3036 362e 3536 2c2d 3235 382e 3237 2031 066.56,-258.27 1\n-000264d0: 3937 392c 2d32 3439 2e34 3820 3139 3339 979,-249.48 1939\n-000264e0: 2e32 342c 2d32 3435 2e34 3920 3138 3934 .24,-245.49 1894\n-000264f0: 2e35 382c 2d32 3335 2e38 3720 3138 3633 .58,-235.87 1863\n-00026500: 2e34 362c 2d32 3238 2e33 3222 2f3e 0a3c .46,-228.32\"/>.<\n-00026510: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00026520: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00026530: 706f 696e 7473 3d22 3138 3633 2e39 392c points=\"1863.99,\n-00026540: 2d32 3234 2e38 3520 3138 3533 2e34 352c -224.85 1853.45,\n-00026550: 2d32 3235 2e38 3520 3138 3632 2e33 322c -225.85 1862.32,\n-00026560: 2d32 3331 2e36 3520 3138 3633 2e39 392c -231.65 1863.99,\n-00026570: 2d32 3234 2e38 3522 2f3e 0a3c 2f67 3e0a -224.85\"/>..\n-00026580: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-000265f0: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-00026600: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-00026610: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00026620: 635f 6772 6f6d 6163 735f 746f 6f6c 733c c_gromacs_tools<\n-00026630: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00026640: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00026650: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-00026660: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00026670: 2220 643d 224d 3232 3933 2e39 2c2d 3233 \" d=\"M2293.9,-23\n-00026680: 312e 3234 4332 3330 352e 3739 2c2d 3234 1.24C2305.79,-24\n-00026690: 302e 3131 2032 3332 302e 3939 2c2d 3235 0.11 2320.99,-25\n-000266a0: 332e 3036 2032 3333 312c 2d32 3637 2e34 3.06 2331,-267.4\n-000266b0: 3820 3233 3438 2e30 352c 2d32 3932 2e30 8 2348.05,-292.0\n-000266c0: 3520 3233 3437 2e39 332c 2d33 3031 2e32 5 2347.93,-301.2\n-000266d0: 3920 3233 3535 2c2d 3333 302e 3335 2032 9 2355,-330.35 2\n-000266e0: 3338 392e 3536 2c2d 3437 322e 3337 2032 389.56,-472.37 2\n-000266f0: 3339 322c 2d35 3130 2e39 3720 3233 3932 392,-510.97 2392\n-00026700: 2c2d 3635 372e 3134 2032 3339 322c 2d37 ,-657.14 2392,-7\n-00026710: 3232 2e30 3120 3233 3932 2c2d 3732 322e 22.01 2392,-722.\n-00026720: 3031 2032 3339 322c 2d37 3232 2e30 3120 01 2392,-722.01 \n-00026730: 3233 3932 2c2d 3932 342e 3031 2032 3333 2392,-924.01 233\n-00026740: 362e 3932 2c2d 3130 3137 2e38 3720 3231 6.92,-1017.87 21\n-00026750: 3538 2c2d 3131 3131 2e36 3620 3231 3133 58,-1111.66 2113\n-00026760: 2e31 362c 2d31 3133 352e 3136 2031 3334 .16,-1135.16 134\n-00026770: 332e 3932 2c2d 3131 3534 2e39 3220 3131 3.92,-1154.92 11\n-00026780: 3634 2e32 392c 2d31 3135 392e 3233 222f 64.29,-1159.23\"/\n-00026790: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-000267a0: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-000267b0: 3d22 2332 6363 6332 3822 2070 6f69 6e74 =\"#2ccc28\" point\n-000267c0: 733d 2231 3136 332e 3935 2c2d 3131 3535 s=\"1163.95,-1155\n-000267d0: 2e37 3320 3131 3534 2e30 332c 2d31 3135 .73 1154.03,-115\n-000267e0: 392e 3437 2031 3136 342e 3131 2c2d 3131 9.47 1164.11,-11\n-000267f0: 3632 2e37 3320 3131 3633 2e39 352c 2d31 62.73 1163.95,-1\n-00026800: 3135 352e 3733 222f 3e0a 3c2f 673e 0a3c 155.73\"/>.</g>.<\n-00026810: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70 !-- module_src_p\n-00026820: 726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n-00026830: 7374 7326 2334 353b 2667 743b 6d6f 6475 sts->modu\n-00026840: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00026850: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n-00026860: 2265 6467 6532 3834 2220 636c 6173 733d \"edge284\" class=\n-00026870: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00026880: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-00026890: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-000268a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000268b0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-000268c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-000269c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n-00026ab0: 6c65 5f73 7263 5f70 726f 6772 616d 735f le_src_programs_\n-00026ac0: 6d64 7275 6e5f 7465 7374 7326 2334 353b mdrun_tests-\n-00026ad0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00026ae0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-00026af0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00026b00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00026b10: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-00026b20: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00026b30: 2220 643d 224d 3232 3637 2e34 392c 2d32 \" d=\"M2267.49,-2\n-00026b40: 3034 2e35 3543 3232 3437 2e33 342c 2d31 04.55C2247.34,-1\n-00026b50: 3736 2e31 3620 3231 3933 2e35 322c 2d31 76.16 2193.52,-1\n-00026b60: 3037 2e30 3520 3231 3239 2c2d 3738 2e38 07.05 2129,-78.8\n-00026b70: 3720 3230 3639 2e37 392c 2d35 332e 3031 7 2069.79,-53.01\n-00026b80: 2031 3632 372e 3935 2c2d 3336 2e37 3520 1627.95,-36.75 \n-00026b90: 3134 3738 2e33 352c 2d33 312e 3933 222f 1478.35,-31.93\"/\n-00026ba0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00026bb0: 2223 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2e38 3622 2f3e 43.59,-839.86\"/>\n-00026e70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00026e80: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n-00026e90: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n-00026ea0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00026eb0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00026ec0: 6573 7320 2d2d 3e0a 3c67 2069 643d 2265 ess -->.<g id=\"e\n-00026ed0: 6467 6532 3831 2220 636c 6173 733d 2265 dge281\" class=\"e\n-00026ee0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00026ef0: 756c 655f 7372 635f 7072 6f67 7261 6d73 ule_src_programs\n-00026f00: 5f6d 6472 756e 5f74 6573 7473 2623 3435 _mdrun_tests-\n-00026f10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00026f20: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00026f30: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70 ocess...<\n-000270e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_pr\n-00027160: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n-00027170: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n-00027180: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00027190: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald......\n+00025b40: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility.....\n+00025d20: 3c67 2069 643d 2265 6467 6532 3732 2220 .module_src_\n+00025d50: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00025d60: 666f 7263 6573 5f61 7768 2623 3435 3b26 forces_awh-&\n+00025d70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00025d80: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes......\n+00025f10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00025f20: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+00025f30: 645f 666f 7263 6573 5f61 7768 2623 3435 d_forces_awh-\n+00025f40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025f50: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00025f60: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry...\n+000260a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+000263c0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+000263d0: 6573 5f61 7768 2623 3435 3b26 6774 3b6d es_awh->m\n+000263e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000263f0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+00026400: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+00026750: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026760: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00026770: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+00026780: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+00026790: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom...\n+00026940: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+000269b0: 655f 7372 635f 7465 7374 7574 696c 7326 e_src_testutils&\n+000269c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 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3033 2e37 382c 2d39 3235 2e32 8 1403.78,-925.2\n+00026ac0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>....\n+00026b80: 3c67 2069 643d 2265 6467 6532 3636 2220 .module_src_\n+00026bb0: 7465 7374 7574 696c 7326 2334 353b 2667 testutils-&g\n+00026bc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00026bd0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware...<\n+00026d00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+00026d70: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+00026d80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00026d90: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n+00026da0: 696e 6568 656c 703c 2f74 6974 6c65 3e0a inehelp.\n+00026db0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_te\n+00026f50: 7374 7574 696c 7326 2334 353b 2667 743b stutils->\n+00026f60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026f70: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00026f80: 3c2f 7469 746c 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"./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17693,15 +17693,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons Sijbers, Balint Soproni, David\n van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten\n Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG Groningen,\n The Netherlands.\n-\u00a9 2001 \u2013 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": "@@ -4439,15 +4439,15 @@\n 00011560: 556e 6976 6572 7369 7479 206f 6620 4772 University of Gr\n 00011570: 6f6e 696e 6765 6e2e 0a4e 696a 656e 626f oningen..Nijenbo\n 00011580: 7267 6820 342c 2039 3734 3720 4147 2047 rgh 4, 9747 AG G\n 00011590: 726f 6e69 6e67 656e 2c20 5468 6520 4e65 roningen, The Ne\n 000115a0: 7468 6572 6c61 6e64 732e 3c2f 703e 0a3c therlands.

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The GROMACS dev\n 00011600: 656c 6f70 6d65 6e74 2074 6561 6d73 2061 elopment teams a\n 00011610: 7420 7468 6520 526f 7961 6c20 496e 7374 t the Royal Inst\n 00011620: 6974 7574 6520 6f66 2054 6563 686e 6f6c itute of Technol\n 00011630: 6f67 7920 616e 640a 5570 7073 616c 6120 ogy and.Uppsala \n 00011640: 556e 6976 6572 7369 7479 2c20 5377 6564 University, Swed\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -430,15 +430,15 @@\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 user\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -11186,15 +11186,15 @@\n \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 373],\n \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 337, 350, 373],\n \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 325, 373],\n \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 326, 373],\n \"2023\": [38, 122, 193, 287, 301, 302, 322, 328, 329, 330, 331, 332, 333, 334, 373],\n \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 339, 345, 346, 347, 354, 355, 368],\n \"2025\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 348, 349, 351, 352, 353, 354, 355, 356, 357, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377],\n- \"2026\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377],\n+ \"2026\": [249, 358],\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"}]}]}]}]}]}