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3432 =\"middle\" x=\"242\n-00003670: 3022 2079 3d22 2d32 3738 2e34 3222 2066 0\" y=\"-278.42\" f\n-00003680: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00003690: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-000036a0: 2231 302e 3030 223e 746f 706f 6c6f 6779 \"10.00\">topology\n-000036b0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....\n-00003720: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00003730: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00003740: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00003750: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n-00003760: 6f67 793c 2f74 6974 6c65 3e0a 3c70 6174 ogy......modul\n-00003b90: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00003ba0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00003bb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00003bc0: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh..\n-00003c50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-00003cf0: 0a3c 6720 6964 3d22 6e6f 6465 3133 2220 ..module_src_\n-00003d20: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00003d30: 743c 2f74 6974 6c65 3e0a 3c67 2069 643d t.\n-00003da0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..r\n-00003e50: 6573 7472 6169 6e74 3c2f 7465 7874 3e0a estraint.\n-00003e60: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-00003e70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00003e80: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-00003e90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00003ea0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00003eb0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->..module\n-00003ee0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00003ef0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00003f00: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n-00003f10: 7374 7261 696e 743c 2f74 6974 6c65 3e0a straint.\n-00003f20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00004080: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-000040f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00004100: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00004110: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00004120: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......mo\n-00004260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00004270: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n-00004280: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-00004290: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-000042a0: 6b65 3d22 626c 6163 6b22 2063 783d 2233 ke=\"black\" cx=\"3\n-000042b0: 3239 3922 2063 793d 222d 3334 332e 3739 299\" cy=\"-343.79\n-000042c0: 2220 7278 3d22 3431 2e30 3222 2072 793d \" rx=\"41.02\" ry=\n-000042d0: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n-000042e0: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n-000042f0: 646c 6522 2078 3d22 3332 3939 2220 793d dle\" x=\"3299\" y=\n-00004300: 222d 3334 312e 3239 2220 666f 6e74 2d66 \"-341.29\" font-f\n-00004310: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-00004320: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-00004330: 3022 3e74 7261 6a65 6374 6f72 793c 2f74 0\">trajectory</t\n-00004340: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n-00004350: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00004360: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00004370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00004380: 6373 5f74 7261 6a65 6374 6f72 7920 2d2d cs_trajectory --\n-00004390: 3e0a 3c67 2069 643d 2265 6467 6533 3322 >.<g id=\"edge33\"\n-000043a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-000043b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000043c0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-000043d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000043e0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-000043f0: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory......module\n-00004600: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00004610: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00004620: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n-00004630: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming....<\n-000047f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00004800: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e romacs_nbnxm -->\n-00004810: 0a3c 6720 6964 3d22 6e6f 6465 3138 2220 ..module_src_\n-00004840: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm...nbnxm.<\n-00004970: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>...\n-000049c0: 0a3c 6720 6964 3d22 6564 6765 3336 2220 ..module_src_\n-000049f0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00004a00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00004a10: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm......mo\n-00004de0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00004df0: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n-00004e00: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .compat\n-00004eb0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ..\n-00004f00: 0a3c 6720 6964 3d22 6564 6765 3337 2220 ..module_src_\n-00004f30: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00004f40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00004f50: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n-00004f60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module\n-00005130: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-00005140: 646f 6d3c 2f74 6974 6c65 3e0a 3c67 2069 dom...rando\n-00005260: 6d3c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f m......\n-000052e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000052f0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00005300: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00005310: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-00005320: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00005330: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-00005340: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-00005350: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-00005360: 3936 302e 3037 2c2d 3132 3232 2e37 3243 960.07,-1222.72C\n-00005370: 3231 3830 2e39 342c 2d31 3232 302e 3836 2180.94,-1220.86\n-00005380: 2033 3530 362e 3736 2c2d 3132 3038 2e33 3506.76,-1208.3\n-00005390: 3220 3335 3834 2c2d 3131 3734 2e35 3320 2 3584,-1174.53 \n-000053a0: 3338 3134 2e33 382c 2d31 3037 332e 3735 3814.38,-1073.75\n-000053b0: 2033 3738 342e 3234 2c2d 3932 382e 3236 3784.24,-928.26\n-000053c0: 2033 3938 302c 2d37 3730 2e34 3420 3339 3980,-770.44 39\n-000053d0: 3935 2e32 372c 2d37 3538 2e31 3320 3430 95.27,-758.13 40\n-000053e0: 3133 2e38 352c 2d37 3436 2e33 3620 3430 13.85,-746.36 40\n-000053f0: 3238 2e39 342c 2d37 3337 2e35 3122 2f3e 28.94,-737.51\"/>\n-00005400: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00005410: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n-00005420: 6c61 636b 2220 706f 696e 7473 3d22 3430 lack\" points=\"40\n-00005430: 3330 2e39 2c2d 3734 302e 3432 2034 3033 30.9,-740.42 403\n-00005440: 372e 3831 2c2d 3733 322e 3339 2034 3032 7.81,-732.39 402\n-00005450: 372e 342c 2d37 3334 2e33 3520 3430 3330 7.4,-734.35 4030\n-00005460: 2e39 2c2d 3734 302e 3432 222f 3e0a 3c2f .9,-740.42\"/>.</\n-00005470: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00005480: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-00005490: 6172 7369 6d75 6c61 746f 7220 2d2d 3e0a arsimulator -->.\n-000054a0: 3c67 2069 643d 226e 6f64 6532 3222 2063 <g id=\"node22\" c\n-000054b0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-000054c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-000054d0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000054e0: 6d75 6c61 746f 723c 2f74 6974 6c65 3e0a mulator.\n-000054f0: 3c67 2069 643d 2261 5f6e 6f64 6532 3222 ..modularsimul\n-00005620: 6174 6f72 3c2f 7465 7874 3e0a 3c2f 613e ator.\n-00005630: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....mod\n-000056b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000056c0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-000056d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000056e0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-000056f0: 723c 2f74 6974 6c65 3e0a 3c70 6174 6820 r......\n-00005850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00005860: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n-00005870: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-00005880: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00005890: 6b65 3d22 626c 6163 6b22 2063 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-->.<g id\n-00005980: 3d22 6564 6765 3338 2220 636c 6173 733d =\"edge38\" class=\n-00005990: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-000059a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000059b0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-000059c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000059d0: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n-000059e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000059f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00005a00: 6662 6662 6622 2064 3d22 4d31 3839 372e fbfbf\" d=\"M1897.\n-00005a10: 372c 2d31 3232 322e 3737 4331 3639 332e 7,-1222.77C1693.\n-00005a20: 3937 2c2d 3132 3231 2e32 3320 3536 312e 97,-1221.23 561.\n-00005a30: 3131 2c2d 3132 3038 2e33 3220 3434 362c 11,-1208.32 446,\n-00005a40: 2d31 3131 312e 3636 2033 3239 2e35 352c -1111.66 329.55,\n-00005a50: 2d31 3031 332e 3838 2033 3535 2e33 372c -1013.88 355.37,\n-00005a60: 2d38 3639 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...module_\n+00000de0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+00000df0: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..math\n+00000eb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n+00000f00: 3c67 2069 643d 2265 6467 6535 2220 636c .module_src_gr\n+00000f30: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00000f40: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00000f50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00000f60: 6174 683c 2f74 6974 6c65 3e0a 3c70 6174 ath.....\n+00001180: 3c67 2069 643d 226e 6f64 6536 2220 636c .module_src_gr\n+000011b0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+000011c0: 653c 2f74 6974 6c65 3e0a 3c67 2069 643d e...commandline...\n+00001300: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+00001380: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+00001390: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+000013a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000013b0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+000013c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00001590: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_\n+000015e0: 7372 635f 6772 6f6d 6163 735f 6666 743c src_gromacs_fft<\n+000015f0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+00001600: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00001610: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00001620: 783d 2233 3331 3122 2063 793d 222d 3635 x=\"3311\" cy=\"-65\n+00001630: 382e 3134 2220 7278 3d22 3237 2220 7279 8.14\" rx=\"27\" ry\n+00001640: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+00001650: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+00001660: 6464 6c65 2220 783d 2233 3331 3122 2079 ddle\" x=\"3311\" y\n+00001670: 3d22 2d36 3535 2e36 3422 2066 6f6e 742d =\"-655.64\" font-\n+00001680: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+00001690: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+000016a0: 3030 223e 6666 743c 2f74 6578 743e 0a3c 00\">fft</text>.<\n+000016b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000016c0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+000016d0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+000016e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000016f0: 6d61 6373 5f66 6674 202d 2d3e 0a3c 6720 macs_fft -->.<g \n+00001700: 6964 3d22 6564 6765 3233 2220 636c 6173 id=\"edge23\" clas\n+00001710: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00001720: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00001730: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00001740: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00001750: 5f73 7263 5f67 726f 6d61 6373 5f66 6674 _src_gromacs_fft\n+00001760: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00001920: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+00001970: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00001980: 6c64 3c2f 7469 746c 653e 0a3c 6720 6964 ld...<\n+00001a40: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00001a50: 3d22 6d69 6464 6c65 2220 783d 2238 3239 =\"middle\" x=\"829\n+00001a60: 2220 793d 222d 3130 3935 2e37 3322 2066 \" y=\"-1095.73\" f\n+00001a70: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+00001a80: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+00001a90: 2231 302e 3030 223e 6577 616c 643c 2f74 \"10.00\">ewald...<\n+00001ab0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+00001b00: 6720 6964 3d22 6564 6765 3232 2220 636c g id=\"edge22\" cl\n+00001b10: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00001b30: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00001b40: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00001b50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00001b60: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald......module\n+00001d10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00001d20: 7970 6573 3c2f 7469 746c 653e 0a3c 656c ypes..mdty\n+00001de0: 7065 733c 2f74 6578 743e 0a3c 2f67 3e0a pes..\n+00001df0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_grom\n+00001e70: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00001e80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00001e90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00001ea0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes....<\n+00002040: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00002050: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n+00002060: 0a3c 6720 6964 3d22 6e6f 6465 3130 2220 ..module_src_\n+00002090: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib..mdlib...\n+000021d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000021e0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000021f0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+00002200: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00002210: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00002220: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00002230: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00002240: 6662 6622 2064 3d22 4d33 3432 382e 3333 fbf\" d=\"M3428.33\n+00002250: 2c2d 3132 3835 2e35 3843 3331 3338 2e32 ,-1285.58C3138.2\n+00002260: 372c 2d31 3238 342e 3133 2031 3836 342e 7,-1284.13 1864.\n+00002270: 3434 2c2d 3132 3735 2e36 3120 3136 3932 44,-1275.61 1692\n+00002280: 2c2d 3132 3337 2e34 2031 3532 322e 3535 ,-1237.4 1522.55\n+00002290: 2c2d 3131 3939 2e38 3620 3133 3339 2e37 ,-1199.86 1339.7\n+000022a0: 392c 2d31 3039 322e 3638 2031 3237 342e 9,-1092.68 1274.\n+000022b0: 3731 2c2d 3130 3532 2e31 3422 2f3e 0a3c 71,-1052.14\"/>.<\n+000022c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000022d0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000022e0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000022f0: 3132 3736 2e33 312c 2d31 3034 392e 3031 1276.31,-1049.01\n+00002300: 2031 3236 352e 3938 2c2d 3130 3436 2e36 1265.98,-1046.6\n+00002310: 3620 3132 3732 2e35 392c 2d31 3035 342e 6 1272.59,-1054.\n+00002320: 3934 2031 3237 362e 3331 2c2d 3130 3439 94 1276.31,-1049\n+00002330: 2e30 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .01\"/>.</g>.<!--\n+00002340: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00002350: 6163 735f 7472 616a 6563 746f 7279 202d acs_trajectory -\n+00002360: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3134 ->.<g id=\"node14\n+00002370: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+00002380: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00002390: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+000023a0: 746f 7279 3c2f 7469 746c 653e 0a3c 656c tory..traj\n+00002460: 6563 746f 7279 3c2f 7465 7874 3e0a 3c2f ectory...<\n+00002750: 6720 6964 3d22 6e6f 6465 3136 2220 636c g id=\"node16\" cl\n+00002760: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+00002780: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology..topology....modu\n+000028d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000028e0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+000028f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00002900: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+00002910: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+00002a90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00002aa0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00002ab0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00002ac0: 3138 3234 2e36 352c 2d32 3738 2e37 3520 1824.65,-278.75 \n+00002ad0: 3138 3134 2e36 312c 2d32 3832 2e31 3220 1814.61,-282.12 \n+00002ae0: 3138 3234 2e35 372c 2d32 3835 2e37 3520 1824.57,-285.75 \n+00002af0: 3138 3234 2e36 352c 2d32 3738 2e37 3522 1824.65,-278.75\"\n+00002b00: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....m\n+00002b50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002b60: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+00002b70: 0a3c 6720 6964 3d22 615f 6e6f 6465 3137 ...domdec.<\n+00002c90: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....mo\n+00002d10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00002d20: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+00002d30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00002d40: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00002d50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+00002f20: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+00002f30: 6f6d 3c2f 7469 746c 653e 0a3c 6720 6964 om..\n+00002ff0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .random\n+00003050: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......modul\n+000032e0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+000032f0: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c65 lling..p\n+000033b0: 756c 6c69 6e67 3c2f 7465 7874 3e0a 3c2f ulling...\n+00003410: 3c67 2069 643d 2265 6467 6531 3722 2063 .module_src_g\n+00003440: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00003450: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00003460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00003470: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00003480: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+000035b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+00003600: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n+00003610: 6c65 6374 696f 6e3c 2f74 6974 6c65 3e0a lection.\n+00003620: 3c67 2069 643d 2261 5f6e 6f64 6532 3222 ..selection...\n+00003750: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+000037c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000037d0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000037e0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+000037f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00003800: 6163 735f 7365 6c65 6374 696f 6e3c 2f74 acs_selection</t\n+00003810: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00003820: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00003830: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00003840: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00003850: 643d 224d 3335 3435 2e37 352c 2d31 3238 d=\"M3545.75,-128\n+00003860: 352e 3736 4333 3730 352e 3038 2c2d 3132 5.76C3705.08,-12\n+00003870: 3835 2e30 3220 3431 3336 2e36 2c2d 3132 85.02 4136.6,-12\n+00003880: 3739 2e31 3320 3431 3834 2c2d 3132 3337 79.13 4184,-1237\n+00003890: 2e34 2034 3230 392e 3632 2c2d 3132 3134 .4 4209.62,-1214\n+000038a0: 2e38 3520 3431 3939 2c2d 3131 3936 2e32 .85 4199,-1196.2\n+000038b0: 3220 3431 3939 2c2d 3131 3632 2e31 2034 2 4199,-1162.1 4\n+000038c0: 3139 392c 2d31 3136 322e 3120 3431 3939 199,-1162.1 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-->.\n+00003b80: 3c67 2069 643d 2265 6467 6532 3122 2063 <g id=\"edge21\" c\n+00003b90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00003ba0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00003bb0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00003bc0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00003bd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00003be0: 676d 7861 6e61 3c2f 7469 746c 653e 0a3c gmxana.<\n+00003bf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00003c00: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00003c10: 2220 643d 224d 3335 3031 2e33 352c 2d31 \" d=\"M3501.35,-1\n+00003c20: 3237 332e 3735 4333 3533 322e 3834 2c2d 273.75C3532.84,-\n+00003c30: 3132 3531 2e31 3320 3336 3037 2e34 322c 1251.13 3607.42,\n+00003c40: 2d31 3230 322e 3437 2033 3634 382e 3636 -1202.47 3648.66\n+00003c50: 2c2d 3131 3737 2e35 3322 2f3e 0a3c 706f ,-1177.53\"/>....\n+00003d20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00003d30: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00003d40: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n+00003d50: 0a3c 6720 6964 3d22 615f 6e6f 6465 3238 .\n+00003dc0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n+00003e70: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces...<\n+00003e90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00003f10: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00003f20: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00003f30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00003f40: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00003f50: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces...\n+000040b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+00004100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00004110: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c65 ileio..\n+00004170: 3c74 6578 7420 7465 7874 2d61 6e63 686f fileio....module\n+00004250: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00004260: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00004270: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00004280: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+00004290: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000042a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000042b0: 6266 6266 6266 2220 643d 224d 3335 3430 bfbfbf\" d=\"M3540\n+000042c0: 2e36 332c 2d31 3238 312e 3332 4333 3639 .63,-1281.32C369\n+000042d0: 362e 362c 2d31 3236 372e 3437 2034 3133 6.6,-1267.47 413\n+000042e0: 392c 2d31 3232 322e 3834 2034 3133 392c 9,-1222.84 4139,\n+000042f0: 2d31 3136 322e 3120 3431 3339 2c2d 3131 -1162.1 4139,-11\n+00004300: 3632 2e31 2034 3133 392c 2d31 3136 322e 62.1 4139,-1162.\n+00004310: 3120 3431 3339 2c2d 3937 312e 3439 2034 1 4139,-971.49 4\n+00004320: 3133 392c 2d38 3533 2e39 3520 3432 3131 139,-853.95 4211\n+00004330: 2e36 342c 2d38 3131 2e31 3120 3431 3536 .64,-811.11 4156\n+00004340: 2c2d 3730 372e 3537 2034 3130 382e 3037 ,-707.57 4108.07\n+00004350: 2c2d 3631 382e 3337 2034 3036 322e 3238 ,-618.37 4062.28\n+00004360: 2c2d 3631 332e 3220 3339 3636 2c2d 3538 ,-613.2 3966,-58\n+00004370: 312e 3833 2033 3836 362e 3439 2c2d 3534 1.83 3866.49,-54\n+00004380: 392e 3431 2033 3131 322e 3636 2c2d 3533 9.41 3112.66,-53\n+00004390: 362e 3520 3239 3335 2e39 382c 2d35 3333 6.5 2935.98,-533\n+000043a0: 2e39 3122 2f3e 0a3c 706f 6c79 676f 6e20 .91\"/>.<polygon \n+000043b0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000043c0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+000043d0: 706f 696e 7473 3d22 3239 3335 2e39 332c points=\"2935.93,\n+000043e0: 2d35 3330 2e34 3120 3239 3235 2e38 382c -530.41 2925.88,\n+000043f0: 2d35 3333 2e37 3620 3239 3335 2e38 332c -533.76 2935.83,\n+00004400: 2d35 3337 2e34 2032 3933 352e 3933 2c2d -537.4 2935.93,-\n+00004410: 3533 302e 3431 222f 3e0a 3c2f 673e 0a3c 530.41\"/>.</g>.<\n+00004420: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00004430: 726f 6d61 6373 5f6f 7074 696f 6e73 202d romacs_options -\n+00004440: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3331 ->.<g id=\"node31\n+00004450: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+00004460: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00004470: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+00004480: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s...opti\n+000045a0: 6f6e 733c 2f74 6578 743e 0a3c 2f61 3e0a ons..\n+000045b0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....module\n+00004630: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00004640: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00004650: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00004660: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options</t\n+00004670: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00004680: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00004690: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+000046a0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+000046b0: 643d 224d 3335 3435 2e35 2c2d 3132 3835 d=\"M3545.5,-1285\n+000046c0: 2e36 3343 3337 3036 2e33 362c 2d31 3238 .63C3706.36,-128\n+000046d0: 342e 3532 2034 3134 362e 3736 2c2d 3132 4.52 4146.76,-12\n+000046e0: 3737 2e38 3120 3431 3937 2c2d 3132 3337 77.81 4197,-1237\n+000046f0: 2e34 2034 3232 342e 3137 2c2d 3132 3135 .4 4224.17,-1215\n+00004700: 2e35 3520 3432 3139 2c2d 3131 3936 2e39 .55 4219,-1196.9\n+00004710: 3620 3432 3139 2c2d 3131 3632 2e31 2034 6 4219,-1162.1 4\n+00004720: 3231 392c 2d31 3136 322e 3120 3432 3139 219,-1162.1 4219\n+00004730: 2c2d 3131 3632 2e31 2034 3231 392c 2d31 ,-1162.1 4219,-1\n+00004740: 3039 372e 3233 2034 3231 392c 2d39 3233 097.23 4219,-923\n+00004750: 2e38 3420 3433 3237 2e38 322c 2d38 3234 .84 4327.82,-824\n+00004760: 2e37 3220 3432 3030 2c2d 3730 372e 3537 .72 4200,-707.57\n+00004770: 2034 3135 382e 3935 2c2d 3636 392e 3935 4158.95,-669.95\n+00004780: 2034 3133 322e 3138 2c2d 3639 3120 3430 4132.18,-691 40\n+00004790: 3830 2c2d 3637 312e 3537 2034 3033 302e 80,-671.57 4030.\n+000047a0: 3235 2c2d 3635 332e 3035 2033 3937 342e 25,-653.05 3974.\n+000047b0: 3333 2c2d 3632 362e 3836 2033 3934 312e 33,-626.86 3941.\n+000047c0: 3139 2c2d 3631 302e 3735 222f 3e0a 3c70 19,-610.75\"/>.<p\n+000047d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000047e0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+000047f0: 3832 6663 6322 2070 6f69 6e74 733d 2233 82fcc\" points=\"3\n+00004800: 3934 322e 362c 2d36 3037 2e35 3420 3339 942.6,-607.54 39\n+00004810: 3332 2e30 372c 2d36 3036 2e32 3920 3339 32.07,-606.29 39\n+00004820: 3339 2e35 322c 2d36 3133 2e38 3320 3339 39.52,-613.83 39\n+00004830: 3432 2e36 2c2d 3630 372e 3534 222f 3e0a 42.6,-607.54\"/>.\n+00004840: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00004850: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+00004860: 7574 696c 202d 2d3e 0a3c 6720 6964 3d22 util -->.<g id=\"\n+00004870: 6e6f 6465 3333 2220 636c 6173 733d 226e node33\" class=\"n\n+00004880: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+00004890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000048a0: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+000048b0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .p\n+00004960: 6263 7574 696c 3c2f 7465 7874 3e0a 3c2f bcutil...\n+000049c0: 3c67 2069 643d 2265 6467 6531 3022 2063 .module_src_g\n+000049f0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00004a00: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00004a10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00004a20: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+00004a30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+00004c40: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib..gmxlib\n+00004d10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+000051d0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+000051e0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+000051f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00005200: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run.\n+00005290: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+00005350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00005360: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c cs_imd.<\n+00005370: 6720 6964 3d22 615f 6e6f 6465 3434 223e g id=\"a_node44\">\n+00005380: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..imd......m\n+00005500: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005510: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00005520: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00005530: 7263 5f67 726f 6d61 6373 5f69 6d64 3c2f rc_gromacs_imd</\n+00005540: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00005550: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00005560: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00005570: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00005580: 2064 3d22 4d33 3433 382e 3339 2c2d 3132 d=\"M3438.39,-12\n+00005590: 3739 2e32 3243 3332 3935 2e33 2c2d 3132 79.22C3295.3,-12\n+000055a0: 3539 2e33 3120 3238 3633 2e35 342c 2d31 59.31 2863.54,-1\n+000055b0: 3139 362e 3036 2032 3531 322c 2d31 3131 196.06 2512,-111\n+000055c0: 312e 3636 2032 3530 382e 3939 2c2d 3131 1.66 2508.99,-11\n+000055d0: 3130 2e39 3420 3235 3035 2e38 372c 2d31 10.94 2505.87,-1\n+000055e0: 3131 302e 3132 2032 3530 322e 3736 2c2d 110.12 2502.76,-\n+000055f0: 3131 3039 2e32 3622 2f3e 0a3c 706f 6c79 1109.26\"/>.<poly\n+00005600: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00005610: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00005620: 6363 2220 706f 696e 7473 3d22 3235 3033 cc\" points=\"2503\n+00005630: 2e35 382c 2d31 3130 352e 3835 2032 3439 .58,-1105.85 249\n+00005640: 332c 2d31 3130 362e 3432 2032 3530 312e 3,-1106.42 2501.\n+00005650: 3632 2c2d 3131 3132 2e35 3720 3235 3033 62,-1112.57 2503\n+00005660: 2e35 382c 2d31 3130 352e 3835 222f 3e0a .58,-1105.85\"/>.\n+00005670: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00005680: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00005690: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+000056a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000056b0: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n+000056c0: 3e0a 3c67 2069 643d 2265 6467 6533 2220 >.<g id=\"edge3\" \n+000056d0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000056e0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000056f0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00005700: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00005710: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005720: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+00005730: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+000058c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+00005910: 5f73 7263 5f67 726f 6d61 6373 5f61 7768 _src_gromacs_awh\n+00005920: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...\n+00005a30: 6177 683c 2f74 6578 743e 0a3c 2f61 3e0a awh..\n+00005a40: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....modu\n+00005c70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00005c80: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00005c90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00005ca0: 7465 7374 7574 696c 733c 2f74 6974 6c65 testutils</title\n+00005cb0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00005cc0: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00005cd0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00005ce0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00005cf0: 3335 3435 2e37 342c 2d31 3238 362e 3834 3545.74,-1286.84\n+00005d00: 4334 3230 312e 3937 2c2d 3132 3836 2e38 C4201.97,-1286.8\n+00005d10: 3420 3438 3538 2e32 312c 2d31 3238 362e 4 4858.21,-1286.\n+00005d20: 3834 2035 3531 342e 3435 2c2d 3132 3836 84 5514.45,-1286\n+00005d30: 2e38 3422 2f3e 0a3c 706f 6c79 676f 6e20 .84\"/>.<polygon \n+00005d40: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+00005d50: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+00005d60: 706f 696e 7473 3d22 3535 3134 2e35 392c points=\"5514.59,\n+00005d70: 2d31 3239 302e 3334 2035 3532 342e 3539 -1290.34 5524.59\n+00005d80: 2c2d 3132 3836 2e38 3420 3535 3134 2e35 ,-1286.84 5514.5\n+00005d90: 392c 2d31 3238 332e 3334 2035 3531 342e 9,-1283.34 5514.\n+00005da0: 3539 2c2d 3132 3930 2e33 3422 2f3e 0a3c 59,-1290.34\"/>.<\n+00005db0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00005dc0: 7372 635f 6772 6f6d 6163 735f 616e 616c src_gromacs_anal\n+00005dd0: 7973 6973 6461 7461 202d 2d3e 0a3c 6720 ysisdata -->.<g \n+00005de0: 6964 3d22 6e6f 6465 3322 2063 6c61 7373 id=\"node3\" class\n+00005df0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00005e00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00005e10: 6373 5f61 6e61 6c79 7369 7364 6174 613c cs_analysisdata<\n+00005e20: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+00005e30: 5f6e 6f64 6533 223e 3c61 2078 6c69 6e6b _node3\"><a xlink\n+00005e40: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+00005e50: 6475 6c65 5f5f 616e 616c 7973 6973 6461 dule__analysisda\n+00005e60: 7461 2e78 6874 6d6c 2220 7461 7267 6574 ta.xhtml\" target\n+00005e70: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n+00005e80: 746c 653d 2261 6e61 6c79 7369 7364 6174 tle=\"analysisdat\n+00005e90: 6122 3e0a 3c65 6c6c 6970 7365 2066 696c a\">.<ellipse fil\n+00005ea0: 6c3d 2223 6666 6363 6363 2220 7374 726f l=\"#ffcccc\" stro\n+00005eb0: 6b65 3d22 626c 6163 6b22 2063 783d 2233 ke=\"black\" 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6f6d 6163 735f 6d61 7468 202d 2d3e 0a3c omacs_math -->.<\n+00005fb0: 6720 6964 3d22 6564 6765 3238 2220 636c g id=\"edge28\" cl\n+00005fc0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00005fd0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00005fe0: 6f6d 6163 735f 616e 616c 7973 6973 6461 omacs_analysisda\n+00005ff0: 7461 2623 3435 3b26 6774 3b6d 6f64 756c ta->modul\n+00006000: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+00006010: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th......\n+00006220: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006230: 6373 5f61 6e61 6c79 7369 7364 6174 6126 cs_analysisdata&\n+00006240: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00006250: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+00006260: 7469 6f6e 3c2f 7469 746c 653e 0a3c 7061 tion......mod\n+000063d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000063e0: 616e 616c 7973 6973 6461 7461 2623 3435 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635f ..mo\n-00006a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00006a10: 5f6c 696e 6561 7261 6c67 6562 7261 3c2f _linearalgebra</\n-00006a20: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-00006a30: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00006a40: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00006a50: 3d22 3735 3222 2063 793d 222d 3135 352e =\"752\" cy=\"-155.\n-00006a60: 3138 2220 7278 3d22 3530 2e34 3122 2072 18\" rx=\"50.41\" r\n-00006a70: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00006a80: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00006a90: 6964 646c 6522 2078 3d22 3735 3222 2079 iddle\" x=\"752\" y\n-00006aa0: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d =\"-152.68\" font-\n-00006ab0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-00006ac0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-00006ad0: 3030 223e 6c69 6e65 6172 616c 6765 6272 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7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00006da0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00006db0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00006dc0: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n-00006dd0: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l...\n-00007000: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n-00007050: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n-00007060: 6f6e 733c 2f74 6974 6c65 3e0a 3c67 2069 ons..<\n-000070d0: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n-000070e0: 6665 3463 6322 2073 7472 6f6b 653d 2262 fe4cc\" stroke=\"b\n-000070f0: 6c61 636b 2220 6378 3d22 3336 3832 2220 lack\" cx=\"3682\" \n-00007100: 6379 3d22 2d35 3935 2e32 3722 2072 783d cy=\"-595.27\" rx=\n-00007110: 2233 332e 3838 2220 7279 3d22 3133 2e33 \"33.88\" ry=\"13.3\n-00007120: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.op\n-00007180: 7469 6f6e 733c 2f74 6578 743e 0a3c 2f61 tions....\n-000071e0: 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6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-0000a360: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0000a370: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000a380: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-0000a390: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000a3a0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000a3b0: 6662 6622 2064 3d22 4d31 3033 302e 3034 fbf\" d=\"M1030.04\n-0000a3c0: 2c2d 3833 332e 3138 4331 3033 362e 3234 ,-833.18C1036.24\n-0000a3d0: 2c2d 3830 382e 3435 2031 3035 312e 3532 ,-808.45 1051.52\n-0000a3e0: 2c2d 3735 322e 3032 2031 3037 322c 2d37 ,-752.02 1072,-7\n-0000a3f0: 3037 2e35 3720 3130 3739 2e38 352c 2d36 07.57 1079.85,-6\n-0000a400: 3930 2e35 3420 3130 3835 2e33 392c 2d36 90.54 1085.39,-6\n-0000a410: 3838 2e32 3320 3130 3934 2c2d 3637 312e 88.23 1094,-671.\n-0000a420: 3537 2031 3134 392e 3836 2c2d 3536 332e 57 1149.86,-563.\n-0000a430: 3531 2031 3136 352e 3932 2c2d 3533 362e 51 1165.92,-536.\n-0000a440: 3236 2031 3230 322c 2d34 3230 2e30 3920 26 1202,-420.09 \n-0000a450: 3132 3037 2e34 312c 2d34 3032 2e36 3820 1207.41,-402.68 \n-0000a460: 3132 3131 2e33 322c 2d33 3832 2e33 3720 1211.32,-382.37 \n-0000a470: 3132 3133 2e37 392c 2d33 3637 2e32 3322 1213.79,-367.23\"\n-0000a480: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000a490: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-0000a4a0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-0000a4b0: 7473 3d22 3132 3137 2e32 372c 2d33 3637 ts=\"1217.27,-367\n-0000a4c0: 2e36 3620 3132 3135 2e33 332c 2d33 3537 .66 1215.33,-357\n-0000a4d0: 2e32 3420 3132 3130 2e33 352c 2d33 3636 .24 1210.35,-366\n-0000a4e0: 2e35 3920 3132 3137 2e32 372c 2d33 3637 .59 1217.27,-367\n-0000a4f0: 2e36 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .66\"/>.</g>.<!--\n-0000a500: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0000a510: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-0000a520: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000a530: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-0000a540: 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 643d ology -->.<g id=\n-0000a550: 2265 6467 6535 3122 2063 6c61 7373 3d22 \"edge51\" class=\"\n-0000a560: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0000a570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000a580: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-0000a590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000a5a0: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-0000a5b0: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy......m\n-0000a8a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000a8b0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-0000a8c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000a8d0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-0000a8e0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es..<\n-0000aa60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000aa70: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0000aa80: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0000aa90: 3136 3834 2e39 362c 2d34 3831 2e39 3720 1684.96,-481.97 \n-0000aaa0: 3136 3934 2e30 382c 2d34 3736 2e35 3820 1694.08,-476.58 \n-0000aab0: 3136 3833 2e35 392c 2d34 3735 2e31 3120 1683.59,-475.11 \n-0000aac0: 3136 3834 2e39 362c 2d34 3831 2e39 3722 1684.96,-481.97\"\n-0000aad0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-0000ab40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000ab50: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-0000ab60: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-0000ab70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000ab80: 6163 735f 7469 6d69 6e67 3c2f 7469 746c acs_timing</titl\n-0000ab90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000aba0: 6f6e 6522 2073 7472 6f6b 653d 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635.7\n-0000ac90: 372c 2d34 3230 2e33 2036 3331 2e33 362c 7,-420.3 631.36,\n-0000aca0: 2d34 3239 2e39 3320 3633 382e 3333 2c2d -429.93 638.33,-\n-0000acb0: 3433 302e 3538 222f 3e0a 3c2f 673e 0a3c 430.58\"/>.</g>.<\n-0000acc0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000acd0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-0000ace0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0000acf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ad00: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e mdrunutility -->\n-0000ad10: 0a3c 6720 6964 3d22 6564 6765 3633 2220 .<g id=\"edge63\" \n-0000ad20: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0000ad30: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0000ad40: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-0000ad50: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0000ad60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ad70: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n-0000ad80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000ad90: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000ada0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0000adb0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0000adc0: 643d 224d 3130 3537 2e36 352c 2d38 3335 d=\"M1057.65,-835\n-0000add0: 2e39 3843 3130 3831 2e36 332c 2d38 3237 .98C1081.63,-827\n-0000ade0: 2e36 3120 3131 3135 2e32 382c 2d38 3134 .61 1115.28,-814\n-0000adf0: 2e32 3320 3131 3432 2c2d 3739 372e 3331 .23 1142,-797.31\n-0000ae00: 2031 3135 372e 3132 2c2d 3738 372e 3733 1157.12,-787.73\n-0000ae10: 2031 3135 372e 3333 2c2d 3738 302e 3639 1157.33,-780.69\n-0000ae20: 2031 3137 322c 2d37 3730 2e34 3420 3131 1172,-770.44 11\n-0000ae30: 3930 2e32 2c2d 3735 372e 3733 2031 3231 90.2,-757.73 121\n-0000ae40: 322e 3132 2c2d 3734 352e 3936 2031 3232 2.12,-745.96 122\n-0000ae50: 392e 3839 2c2d 3733 372e 3231 222f 3e0a 9.89,-737.21\"/>.\n-0000ae60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0000ae70: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-0000ae80: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-0000ae90: 2231 3233 312e 382c 2d37 3430 2e31 3820 \"1231.8,-740.18 \n-0000aea0: 3132 3339 2e32 392c 2d37 3332 2e36 3820 1239.29,-732.68 \n-0000aeb0: 3132 3238 2e37 362c 2d37 3333 2e38 3720 1228.76,-733.87 \n-0000aec0: 3132 3331 2e38 2c2d 3734 302e 3138 222f 1231.8,-740.18\"/\n-0000aed0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000aee0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-0000aef0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-0000af00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000af10: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n-0000af20: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535 -->.<g id=\"edge5\n-0000af30: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-0000af40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000af50: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-0000af60: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-0000af70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000af80: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-0000af90: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000afa0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000afb0: 3832 6663 6322 2064 3d22 4d39 3739 2e38 82fcc\" d=\"M979.8\n-0000afc0: 392c 2d38 3431 2e35 4339 3232 2e38 332c 9,-841.5C922.83,\n-0000afd0: 2d38 3335 2e34 3920 3832 342e 3236 2c2d -835.49 824.26,-\n-0000afe0: 3832 322e 3335 2037 3433 2c2d 3739 372e 822.35 743,-797.\n-0000aff0: 3331 2035 3730 2e37 362c 2d37 3434 2e32 31 570.76,-744.2\n-0000b000: 3420 3530 372e 3236 2c2d 3734 302e 3220 4 507.26,-740.2 \n-0000b010: 3338 342c 2d36 3038 2e37 2033 3631 2e31 384,-608.7 361.1\n-0000b020: 392c 2d35 3834 2e33 3620 3335 382e 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p\n-0000b110: 6f69 6e74 733d 2233 3032 362e 362c 2d39 oints=\"3026.6,-9\n-0000b120: 362e 3833 2033 3033 362e 3539 2c2d 3933 6.83 3036.59,-93\n-0000b130: 2e33 3220 3330 3236 2e35 392c 2d38 392e .32 3026.59,-89.\n-0000b140: 3833 2033 3032 362e 362c 2d39 362e 3833 83 3026.6,-96.83\n-0000b150: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0000b160: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000b170: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-0000b180: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000b190: 635f 6772 6f6d 6163 735f 6c69 6e65 6172 c_gromacs_linear\n-0000b1a0: 616c 6765 6272 6120 2d2d 3e0a 3c67 2069 algebra -->.<g i\n-0000b1b0: 643d 2265 6467 6536 3222 2063 6c61 7373 d=\"edge62\" class\n-0000b1c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-0000b1d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b1e0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-0000b1f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000b200: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n-0000b210: 6172 616c 6765 6272 613c 2f74 6974 6c65 aralgebra</title\n-0000b220: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000b230: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000b240: 6662 6622 2064 3d22 4d39 3831 2e38 312c fbf\" d=\"M981.81,\n-0000b250: 2d38 3430 2e35 3543 3839 362e 3338 2c2d -840.55C896.38,-\n-0000b260: 3832 382e 3136 2037 3131 2e36 362c 2d37 828.16 711.66,-7\n-0000b270: 3838 2e35 3920 3632 312c 2d36 3731 2e35 88.59 621,-671.5\n-0000b280: 3720 3534 342e 3938 2c2d 3537 332e 3434 7 544.98,-573.44\n-0000b290: 2035 3539 2e39 312c 2d35 3131 2e33 3620 559.91,-511.36 \n-0000b2a0: 3539 382c 2d33 3933 2e32 3220 3632 362e 598,-393.22 626.\n-0000b2b0: 3938 2c2d 3330 332e 3333 2036 3939 2e34 98,-303.33 699.4\n-0000b2c0: 322c 2d32 3134 2e36 3320 3733 332e 362c 2,-214.63 733.6,\n-0000b2d0: 2d31 3736 2e31 3322 2f3e 0a3c 706f 6c79 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3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000b3d0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-0000b3e0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000b3f0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-0000b400: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util....<\n-0000b680: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b690: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-0000b6a0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0000b6b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b6c0: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->..mo\n-0000b6f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000b700: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-0000b710: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000b720: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-0000b730: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path 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3537 362e 3131 2c2d 3130 3238 s=\"1576.11,-1028\n-0000b830: 2e34 3920 3135 3836 2e36 372c 2d31 3032 .49 1586.67,-102\n-0000b840: 372e 3635 2031 3537 372e 3839 2c2d 3130 7.65 1577.89,-10\n-0000b850: 3231 2e37 3220 3135 3736 2e31 312c 2d31 21.72 1576.11,-1\n-0000b860: 3032 382e 3439 222f 3e0a 3c2f 673e 0a3c 028.49\"/>.</g>.<\n-0000b870: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b880: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-0000b890: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0000b8a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b8b0: 7369 6d64 202d 2d3e 0a3c 6720 6964 3d22 simd -->.<g id=\"\n-0000b8c0: 6564 6765 3535 2220 636c 6173 733d 2265 edge55\" class=\"e\n-0000b8d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000b8e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b8f0: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n-0000b900: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b910: 5f67 726f 6d61 6373 5f73 696d 643c 2f74 _gromacs_simd</t\n-0000b920: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000b930: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000b940: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0000b950: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0000b960: 643d 224d 3130 3134 2e37 312c 2d38 3333 d=\"M1014.71,-833\n-0000b970: 2e34 3443 3130 3036 2e35 322c 2d38 3234 .44C1006.52,-824\n-0000b980: 2e33 3220 3939 362e 3437 2c2d 3831 312e .32 996.47,-811.\n-0000b990: 3133 2039 3932 2c2d 3739 372e 3331 2039 13 992,-797.31 9\n-0000b9a0: 3838 2e33 322c 2d37 3835 2e39 3520 3938 88.32,-785.95 98\n-0000b9b0: 382e 3636 2c2d 3738 312e 3931 2039 3932 8.66,-781.91 992\n-0000b9c0: 2c2d 3737 302e 3434 2031 3030 312e 3236 ,-770.44 1001.26\n-0000b9d0: 2c2d 3733 382e 3634 2031 3030 392e 3034 ,-738.64 1009.04\n-0000b9e0: 2c2d 3733 312e 3434 2031 3033 322c 2d37 ,-731.44 1032,-7\n-0000b9f0: 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7372 635f 6772 -- module_src_gr\n-0000bae0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-0000baf0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-0000bb00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000bb10: 6174 6820 2d2d 3e0a 3c67 2069 643d 2265 ath -->.<g id=\"e\n-0000bb20: 6467 6535 3222 2063 6c61 7373 3d22 6564 dge52\" class=\"ed\n-0000bb30: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0000bb40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-0000bb50: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-0000bb60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000bb70: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n-0000bb80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000bb90: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000bba0: 6266 6266 6266 2220 643d 224d 3130 3332 bfbfbf\" d=\"M1032\n-0000bbb0: 2e33 382c 2d38 3333 2e33 3243 3130 3430 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le_src_testutils\n-0000bd90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-0000bf40: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n-0000bf50: 616e 3c2f 7469 746c 653e 0a3c 656c 6c69 an.\n-0000bfb0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .mdspan\n-0000c010: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....module_src_grom\n-0000c090: 6163 735f 6d64 7370 616e 2623 3435 3b26 acs_mdspan-&\n-0000c0a0: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n-0000c0b0: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n-0000c0c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n-0000c240: 6720 6964 3d22 6e6f 6465 3722 2063 6c61 g id=\"node7\" cla\n-0000c250: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.module_src_gro\n-0000c270: 6d61 6373 5f6f 6e6c 696e 6568 656c 703c macs_onlinehelp<\n-0000c280: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>..\n-0000c2f0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .o\n-0000c3a0: 6e6c 696e 6568 656c 703c 2f74 6578 743e 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dule_src_gromacs\n-0000c5e0: 5f6f 6e6c 696e 6568 656c 7026 2334 353b _onlinehelp-\n-0000c5f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n-0000c600: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720 estutils -->.<g \n-0000c610: 6964 3d22 6564 6765 3637 2220 636c 6173 id=\"edge67\" clas\n-0000c620: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0000c630: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000c640: 6163 735f 6f6e 6c69 6e65 6865 6c70 2623 acs_onlinehelp&#\n-0000c650: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000c660: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils</tit\n-0000c670: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000c680: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000c690: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n-0000c6a0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0000c6b0: 224d 3338 3338 2e33 392c 2d35 3936 2e39 \"M3838.39,-596.9\n-0000c6c0: 3643 3430 3231 2e34 362c 2d36 3030 2e31 6C4021.46,-600.1\n-0000c6d0: 3320 3437 3336 2e35 362c 2d36 3134 2e34 3 4736.56,-614.4\n-0000c6e0: 3420 3437 3733 2c2d 3634 342e 3720 3438 4 4773,-644.7 48\n-0000c6f0: 3736 2e33 382c 2d37 3330 2e35 3620 3435 76.38,-730.56 45\n-0000c700: 3630 2e36 362c 2d31 3133 392e 3737 2034 60.66,-1139.77 4\n-0000c710: 3635 332c 2d31 3233 372e 3420 3436 3831 653,-1237.4 4681\n-0000c720: 2e34 392c 2d31 3236 372e 3532 2035 3330 .49,-1267.52 530\n-0000c730: 302e 3038 2c2d 3132 3831 2e36 2035 3437 0.08,-1281.6 547\n-0000c740: 352e 3832 2c2d 3132 3835 222f 3e0a 3c70 5.82,-1285\"/>.<p\n-0000c750: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n-0000c760: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n-0000c770: 6363 6332 3822 2070 6f69 6e74 733d 2235 ccc28\" points=\"5\n-0000c780: 3437 352e 3936 2c2d 3132 3838 2e35 2035 475.96,-1288.5 5\n-0000c790: 3438 362e 3032 2c2d 3132 3835 2e32 2035 486.02,-1285.2 5\n-0000c7a0: 3437 362e 3039 2c2d 3132 3831 2e35 3120 476.09,-1281.51 \n-0000c7b0: 3534 3735 2e39 362c 2d31 3238 382e 3522 5475.96,-1288.5\"\n-0000c7c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000c7d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c7e0: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n-0000c7f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000c800: 6d61 6373 5f68 6172 6477 6172 6520 2d2d macs_hardware --\n-0000c810: 3e0a 3c67 2069 643d 2265 6467 6536 3922 >.<g id=\"edge69\"\n-0000c820: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000c830: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000c840: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0000c850: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0000c860: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-0000c870: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-0000c880: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000c890: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-0000c8a0: 224d 3131 3839 2e38 312c 2d33 3533 2e37 \"M1189.81,-353.7\n-0000c8b0: 3143 3131 3635 2e31 382c 2d33 3631 2e35 1C1165.18,-361.5\n-0000c8c0: 3120 3131 3238 2e39 362c 2d33 3734 2e35 1 1128.96,-374.5\n-0000c8d0: 3320 3131 3031 2c2d 3339 332e 3232 2031 3 1101,-393.22 1\n-0000c8e0: 3036 382e 3839 2c2d 3431 342e 3638 2031 068.89,-414.68 1\n-0000c8f0: 3036 372e 3637 2c2d 3432 382e 3135 2031 067.67,-428.15 1\n-0000c900: 3034 312c 2d34 3536 2e30 3920 3130 3134 041,-456.09 1014\n-0000c910: 2e33 332c 2d34 3834 2e30 3320 3130 3037 .33,-484.03 1007\n-0000c920: 2e30 312c 2d34 3930 2e34 3120 3938 312c .01,-490.41 981,\n-0000c930: 2d35 3138 2e39 3620 3934 352e 3432 2c2d -518.96 945.42,-\n-0000c940: 3535 382e 3033 2039 3432 2e38 322c 2d35 558.03 942.82,-5\n-0000c950: 3733 2e39 3620 3930 332c 2d36 3038 2e37 73.96 903,-608.7\n-0000c960: 2038 3838 2e32 2c2d 3632 312e 3631 2038 888.2,-621.61 8\n-0000c970: 3639 2e37 322c 2d36 3333 2e37 3120 3835 69.72,-633.71 85\n-0000c980: 332e 3831 2c2d 3634 322e 3539 222f 3e0a 3.81,-642.59\"/>.\n-0000c990: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....module\n-0000ca70: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-0000ca80: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d _utils->m\n-0000ca90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000caa0: 735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n-0000cab0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000cac0: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-0000cad0: 6b22 2064 3d22 4d31 3231 382e 3338 2c2d k\" d=\"M1218.38,-\n-0000cae0: 3333 302e 3143 3132 3230 2e36 2c2d 3331 330.1C1220.6,-31\n-0000caf0: 342e 3320 3132 3236 2e30 392c 2d32 3837 4.3 1226.09,-287\n-0000cb00: 2e30 3320 3132 3339 2c2d 3236 372e 3438 .03 1239,-267.48\n-0000cb10: 2031 3238 372e 352c 2d31 3934 2e30 3320 1287.5,-194.03 \n-0000cb20: 3133 3039 2e35 382c 2d31 3732 2e36 3220 1309.58,-172.62 \n-0000cb30: 3133 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_gromacs_math --\n-0000cc20: 3e0a 3c67 2069 643d 2265 6467 6537 3022 >.<g id=\"edge70\"\n-0000cc30: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000cc40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000cc50: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0000cc60: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0000cc70: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n-0000cc80: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th..<\n-0000cd20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000cd30: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0000cd40: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0000cd50: 3138 3630 2e30 392c 2d32 3233 2e36 2031 1860.09,-223.6 1\n-0000cd60: 3836 392e 3938 2c2d 3231 392e 3820 3138 869.98,-219.8 18\n-0000cd70: 3539 2e38 382c 2d32 3136 2e36 2031 3836 59.88,-216.6 186\n-0000cd80: 302e 3039 2c2d 3232 332e 3622 2f3e 0a3c 0.09,-223.6\"/>.<\n-0000cd90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-0000ce00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ce10: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n-0000ce20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000ce30: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-0000ce40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000ce50: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0000ce60: 6266 6266 2220 643d 224d 3233 3933 2e33 bfbf\" d=\"M2393.3\n-0000ce70: 392c 2d31 3038 352e 3233 4332 3335 392e 9,-1085.23C2359.\n-0000ce80: 3732 2c2d 3130 3338 2e36 3320 3232 3336 72,-1038.63 2236\n-0000ce90: 2e31 392c 2d38 3730 2e33 3120 3231 3832 .19,-870.31 2182\n-0000cea0: 2c2d 3833 332e 3331 2032 3134 392e 3731 ,-833.31 2149.71\n-0000ceb0: 2c2d 3831 312e 3236 2032 3130 362e 3535 ,-811.26 2106.55\n-0000cec0: 2c2d 3739 382e 3535 2032 3037 352e 3734 ,-798.55 2075.74\n-0000ced0: 2c2d 3739 312e 3733 222f 3e0a 3c70 6f6c 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6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000cfd0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n-0000cfe0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000cff0: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology</t\n-0000d000: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000d010: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000d020: 2362 6662 6662 6622 2064 3d22 4d32 3432 #bfbfbf\" d=\"M242\n-0000d030: 302e 3933 2c2d 3130 3837 2e33 3643 3234 0.93,-1087.36C24\n-0000d040: 3337 2e30 332c 2d31 3037 382e 3437 2032 37.03,-1078.47 2\n-0000d050: 3436 302e 3239 2c2d 3130 3634 2e34 3320 460.29,-1064.43 \n-0000d060: 3234 3738 2c2d 3130 3438 2e37 3920 3235 2478,-1048.79 25\n-0000d070: 3238 2c2d 3130 3034 2e36 3220 3235 3435 28,-1004.62 2545\n-0000d080: 2e32 372c 2d39 3838 2e31 3220 3235 3630 .27,-988.12 2560\n-0000d090: 2c2d 3932 332e 3035 2032 3536 352e 312c ,-923.05 2565.1,\n-0000d0a0: 2d39 3030 2e35 2032 3535 342e 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6820 6669 /title>.<path fi\n-0000d280: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000d290: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n-0000d2a0: 3430 332e 3137 2c2d 3130 3834 2e37 3843 403.17,-1084.78C\n-0000d2b0: 3234 3036 2e33 362c 2d31 3034 332e 3136 2406.36,-1043.16\n-0000d2c0: 2032 3431 302e 382c 2d39 3037 2e32 3920 2410.8,-907.29 \n-0000d2d0: 3233 3432 2c2d 3833 332e 3331 2032 3331 2342,-833.31 231\n-0000d2e0: 322e 3636 2c2d 3830 312e 3736 2032 3239 2.66,-801.76 229\n-0000d2f0: 302e 3732 2c2d 3831 362e 3220 3232 3532 0.72,-816.2 2252\n-0000d300: 2c2d 3739 372e 3331 2032 3230 322e 3038 ,-797.31 2202.08\n-0000d310: 2c2d 3737 322e 3936 2032 3139 302e 3438 ,-772.96 2190.48\n-0000d320: 2c2d 3736 342e 3834 2032 3134 342c 2d37 ,-764.84 2144,-7\n-0000d330: 3334 2e34 3420 3230 3634 2e37 352c 2d36 34.44 2064.75,-6\n-0000d340: 3832 2e36 3120 3230 3436 2e39 342c 2d36 82.61 2046.94,-6\n-0000d350: 3636 2e35 3920 3139 3732 2c2d 3630 382e 66.59 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655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d450: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n-0000d460: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d470: 6373 5f74 696d 696e 6720 2d2d 3e0a 3c67 cs_timing -->.<g\n-0000d480: 2069 643d 2265 6467 6538 3122 2063 6c61 id=\"edge81\" cla\n-0000d490: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000d4a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000d4b0: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n-0000d4c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000d4d0: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing</\n-0000d4e0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000d4f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000d500: 2223 6266 6266 6266 2220 643d 224d 3233 \"#bfbfbf\" d=\"M23\n-0000d510: 3935 2e39 392c 2d31 3038 342e 3932 4332 95.99,-1084.92C2\n-0000d520: 3338 382e 3432 2c2d 3130 3639 2e37 3520 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romacs_pulling&#\n-0000d9b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000d9c0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-0000d9d0: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d dline -->.<g id=\n-0000d9e0: 2265 6467 6537 3122 2063 6c61 7373 3d22 \"edge71\" class=\"\n-0000d9f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0000da00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000da10: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n-0000da20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000da30: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n-0000da40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000da50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000da60: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n-0000da70: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0000da80: 643d 224d 3234 3235 2e31 392c 2d31 3038 d=\"M2425.19,-108\n-0000da90: 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s=\"edge\">.<title\n-0000dc60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000dc70: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n-0000dc80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000dc90: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility</\n-0000dca0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000dcb0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000dcc0: 2223 3238 3266 6363 2220 643d 224d 3234 \"#282fcc\" d=\"M24\n-0000dcd0: 3235 2e31 372c 2d31 3038 392e 3037 4332 25.17,-1089.07C2\n-0000dce0: 3433 302e 3933 2c2d 3130 3837 2e33 3620 430.93,-1087.36 \n-0000dcf0: 3234 3337 2e31 332c 2d31 3038 352e 3737 2437.13,-1085.77\n-0000dd00: 2032 3434 332c 2d31 3038 342e 3739 2032 2443,-1084.79 2\n-0000dd10: 3738 392e 3937 2c2d 3130 3236 2e36 3820 789.97,-1026.68 \n-0000dd20: 3337 3037 2e36 362c 2d31 3134 312e 3837 3707.66,-1141.87\n-0000dd30: 2034 3032 332c 2d39 3835 2e39 3220 3431 4023,-985.92 41\n-0000dd40: 3836 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746c 653e 0a3c 7061 7468 2066 ..\n-0000e020: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-0000e090: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n-0000e100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e110: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-0000e120: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000e130: 6f6d 6163 735f 7062 6375 7469 6c3c 2f74 omacs_pbcutil</t\n-0000e140: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000e150: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000e160: 2362 6662 6662 6622 2064 3d22 4d32 3431 #bfbfbf\" d=\"M241\n-0000e170: 362e 3333 2c2d 3130 3836 2e32 3943 3234 6.33,-1086.29C24\n-0000e180: 3633 2e35 352c 2d31 3034 382e 3936 2032 63.55,-1048.96 2\n-0000e190: 3630 372e 362c 2d39 3233 2e38 3120 3235 607.6,-923.81 25\n-0000e1a0: 3432 2c2d 3833 332e 3331 2032 3531 312e 42,-833.31 2511.\n-0000e1b0: 3831 2c2d 3739 312e 3636 2032 3437 372e 81,-791.66 2477.\n-0000e1c0: 392c 2d38 3230 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2d38 3636 0.64 997.72,-866\n-0000f810: 2e37 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .77\"/>.</g>.<!--\n-0000f820: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0000f830: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-0000f840: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000f850: 6d61 6373 5f74 6f70 6f6c 6f67 7920 2d2d macs_topology --\n-0000f860: 3e0a 3c67 2069 643d 2265 6467 6538 3822 >.<g id=\"edge88\"\n-0000f870: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000f880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000f890: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n-0000f8a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000f8b0: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-0000f8c0: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy....<\n-0000fac0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000fad0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-0000fae0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000faf0: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n-0000fb00: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539 -->.\n-0000fb20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000fb30: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n-0000fb40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000fb50: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0000fb60: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes...\n-0000fd30: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-0000fdb0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-0000fdc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000fdd0: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n-0000fde0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n-00010080: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00010090: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000100a0: 6f6d 6163 735f 7469 6d69 6e67 3c2f 7469 omacs_timing......module_src_grom\n-00010300: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-00010310: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010320: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random.....\n-00010520: 3c67 2069 643d 226e 6f64 6532 3522 2063 .module_src_g\n-00010550: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00010560: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ..\n-000105d0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .se\n-00010680: 6c65 6374 696f 6e3c 2f74 6578 743e 0a3c lection.<\n-00010690: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....module\n-00010710: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n-00010720: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-00010730: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n-00010740: 6c65 6374 696f 6e3c 2f74 6974 6c65 3e0a lection.\n-00010750: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00010830: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-000108a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-00010920: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00010930: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00010940: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-00010950: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e....<\n-00010b00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00010b10: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-00010b20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00010b30: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n-00010b40: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538 -->.\n-00010b60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00010b70: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n-00010b80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00010b90: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n-00010ba0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 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3431 2032 3236 352e 3131 2c2d 412.41 2265.11,-\n-000110a0: 3431 372e 3631 2032 3236 362e 3334 2c2d 417.61 2266.34,-\n-000110b0: 3431 302e 3732 222f 3e0a 3c2f 673e 0a3c 410.72\"/>.</g>.<\n-000110c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000110d0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-000110e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000110f0: 6772 6f6d 6163 735f 6f70 7469 6f6e 7320 gromacs_options \n-00011100: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00011110: 3031 2220 636c 6173 733d 2265 6467 6522 01\" class=\"edge\"\n-00011120: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00011130: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-00011140: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00011150: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-00011160: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......\n-000113d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000113e0: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n-000113f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011400: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n-00011410: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00011420: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00011430: 6662 6622 2064 3d22 4d33 3034 392e 3937 fbf\" d=\"M3049.97\n-00011440: 2c2d 3133 3437 2e39 3743 3238 3436 2e30 ,-1347.97C2846.0\n-00011450: 342c 2d31 3334 322e 3235 2031 3535 372c 4,-1342.25 1557,\n-00011460: 2d31 3330 322e 3939 2031 3535 372c 2d31 -1302.99 1557,-1\n-00011470: 3232 342e 3937 2031 3535 372c 2d31 3232 224.97 1557,-122\n-00011480: 342e 3937 2031 3535 372c 2d31 3232 342e 4.97 1557,-1224.\n-00011490: 3937 2031 3535 372c 2d31 3136 302e 3120 97 1557,-1160.1 \n-000114a0: 3135 3537 2c2d 3131 3231 2e31 2031 3537 1557,-1121.1 157\n-000114b0: 392e 3531 2c2d 3130 3830 2e33 3720 3135 9.51,-1080.37 15\n-000114c0: 3935 2e31 392c 2d31 3035 362e 3734 222f 95.19,-1056.74\"/\n-000114d0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-000114e0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-000114f0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00011500: 733d 2231 3539 382e 3233 2c2d 3130 3538 s=\"1598.23,-1058\n-00011510: 2e34 3920 3136 3031 2e30 312c 2d31 3034 .49 1601.01,-104\n-00011520: 382e 3237 2031 3539 322e 3436 2c2d 3130 8.27 1592.46,-10\n-00011530: 3534 2e35 3320 3135 3938 2e32 332c 2d31 54.53 1598.23,-1\n-00011540: 3035 382e 3439 222f 3e0a 3c2f 673e 0a3c 058.49\"/>.</g>.<\n-00011550: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011560: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-00011570: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00011580: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n-00011590: 3e0a 3c67 2069 643d 2265 6467 6539 3422 >.<g id=\"edge94\"\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 6577 616c 643c c_gromacs_ewald<\n-000115f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00011600: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00011610: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00011620: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00011630: 2220 643d 224d 3330 3439 2e39 352c 2d31 \" d=\"M3049.95,-1\n-00011640: 3334 382e 3332 4332 3836 312e 3838 2c2d 348.32C2861.88,-\n-00011650: 3133 3435 2e35 3420 3137 3436 2e39 392c 1345.54 1746.99,\n-00011660: 2d31 3332 382e 3120 3134 3039 2c2d 3133 -1328.1 1409,-13\n-00011670: 3030 2e32 3720 3132 3032 2e34 372c 2d31 00.27 1202.47,-1\n-00011680: 3238 332e 3237 2031 3133 312e 3936 2c2d 283.27 1131.96,-\n-00011690: 3133 3330 2e38 3620 3934 372c 2d31 3233 1330.86 947,-123\n-000116a0: 372e 3420 3931 322e 3235 2c2d 3132 3139 7.4 912.25,-1219\n-000116b0: 2e38 3420 3930 302e 3633 2c2d 3132 3130 .84 900.63,-1210\n-000116c0: 2e36 3120 3838 362c 2d31 3137 342e 3533 .61 886,-1174.53\n-000116d0: 2038 3739 2e32 332c 2d31 3135 372e 3834 879.23,-1157.84\n-000116e0: 2038 3830 2e39 2c2d 3131 3337 2e33 3320 880.9,-1137.33 \n-000116f0: 3838 332e 3838 2c2d 3131 3231 2e39 3422 883.88,-1121.94\"\n-00011700: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00011710: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00011720: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-00011730: 7473 3d22 3838 372e 3339 2c2d 3131 3232 ts=\"887.39,-1122\n-00011740: 2e32 3820 3838 362e 3139 2c2d 3131 3131 .28 886.19,-1111\n-00011750: 2e37 3620 3838 302e 3536 2c2d 3131 3230 .76 880.56,-1120\n-00011760: 2e37 3420 3838 372e 3339 2c2d 3131 3232 .74 887.39,-1122\n-00011770: 2e32 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .28\"/>.</g>.<!--\n-00011780: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00011790: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-000117a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000117b0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-000117c0: 656e 7420 2d2d 3e0a 3c67 2069 643d 2265 ent -->.<g id=\"e\n-000117d0: 6467 6539 3922 2063 6c61 7373 3d22 6564 dge99\" class=\"ed\n-000117e0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-000117f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00011800: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-00011810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011820: 7461 736b 6173 7369 676e 6d65 6e74 3c2f taskassignment</\n-00011830: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00011840: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00011850: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00011860: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00011870: 2064 3d22 4d33 3034 392e 3937 2c2d 3133 d=\"M3049.97,-13\n-00011880: 3438 2e36 3743 3238 3731 2e32 362c 2d31 48.67C2871.26,-1\n-00011890: 3334 382e 3237 2031 3835 372e 3633 2c2d 348.27 1857.63,-\n-000118a0: 3133 3434 2e31 3120 3135 3532 2c2d 3133 1344.11 1552,-13\n-000118b0: 3030 2e32 3720 3133 3634 2e32 2c2d 3132 00.27 1364.2,-12\n-000118c0: 3733 2e33 3320 3131 3437 2e32 362c 2d31 73.33 1147.26,-1\n-000118d0: 3230 352e 3334 2031 3035 382e 3736 2c2d 205.34 1058.76,-\n-000118e0: 3131 3735 2e39 3622 2f3e 0a3c 706f 6c79 1175.96\"/>.<poly\n-000118f0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-00011900: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-00011910: 6363 2220 706f 696e 7473 3d22 3130 3539 cc\" points=\"1059\n-00011920: 2e37 2c2d 3131 3732 2e35 3920 3130 3439 .7,-1172.59 1049\n-00011930: 2e31 2c2d 3131 3732 2e37 3420 3130 3537 .1,-1172.74 1057\n-00011940: 2e34 382c 2d31 3137 392e 3233 2031 3035 .48,-1179.23 105\n-00011950: 392e 372c 2d31 3137 322e 3539 222f 3e0a 9.7,-1172.59\"/>.\n-00011960: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00011970: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n-00011980: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-00011990: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-000119a0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n-000119b0: 6564 6765 3836 2220 636c 6173 733d 2265 edge86\" class=\"e\n-000119c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000119d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000119e0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-000119f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011a00: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n-00011a10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00011b60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n-00011c40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011c50: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n-00011c60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011c70: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n-00011c80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-00011e50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-00011f10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00011f20: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-00011f30: 6570 726f 6365 7373 3c2f 7469 746c 653e eprocess\n-00011f40: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..gmxpreprocess<\n-00012000: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>....modu\n-00012080: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00012090: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-000120a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000120b0: 676d 7870 7265 7072 6f63 6573 733c 2f74 gmxpreprocess</t\n-000120c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000120d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000120e0: 2362 6662 6662 6622 2064 3d22 4d33 3037 #bfbfbf\" d=\"M307\n-000120f0: 372c 2d31 3333 362e 3039 4333 3037 372c 7,-1336.09C3077,\n-00012100: 2d31 3332 382e 3735 2033 3037 372c 2d31 -1328.75 3077,-1\n-00012110: 3331 392e 3236 2033 3037 372c 2d31 3331 319.26 3077,-131\n-00012120: 302e 3635 222f 3e0a 3c70 6f6c 7967 6f6e 0.65\"/>.<polygon\n-00012130: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00012140: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-00012150: 2070 6f69 6e74 733d 2233 3038 302e 352c points=\"3080.5,\n-00012160: 2d31 3331 302e 3433 2033 3037 372c 2d31 -1310.43 3077,-1\n-00012170: 3330 302e 3433 2033 3037 332e 352c 2d31 300.43 3073.5,-1\n-00012180: 3331 302e 3433 2033 3038 302e 352c 2d31 310.43 3080.5,-1\n-00012190: 3331 302e 3433 222f 3e0a 3c2f 673e 0a3c 310.43\"/>.</g>.<\n-000121a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000121b0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-000121c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000121d0: 7465 7374 7574 696c 7320 2d2d 3e0a 3c67 testutils -->.<g\n-000121e0: 2069 643d 2265 6467 6531 3035 2220 636c id=\"edge105\" cl\n-000121f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00012200: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00012210: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-00012220: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n-00012230: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n-00012240: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-00012320: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00012330: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7926 romacs_topology&\n-00012340: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012350: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n-00012360: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->..modul\n-00012390: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-000123a0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d pology->m\n-000123b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000123c0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-000123d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-000128a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000128b0: 6373 5f74 6f70 6f6c 6f67 7926 2334 353b cs_topology-\n-000128c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n-000128d0: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n-000128e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-00012ac0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n-00012d10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012d20: 6373 5f61 7768 2623 3435 3b26 6774 3b6d cs_awh->m\n-00012d30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012d40: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling</title\n-00012d50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00012d60: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00012d70: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00012d80: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00012d90: 3237 3231 2e31 352c 2d31 3135 372e 3139 2721.15,-1157.19\n-00012da0: 4332 3636 382e 3432 2c2d 3131 3530 2e39 C2668.42,-1150.9\n-00012db0: 3920 3235 3434 2e38 322c 2d31 3133 352e 9 2544.82,-1135.\n-00012dc0: 3120 3234 3433 2c2d 3131 3131 2e36 3620 1 2443,-1111.66 \n-00012dd0: 3234 3430 2e35 332c 2d31 3131 312e 3039 2440.53,-1111.09\n-00012de0: 2032 3433 372e 3938 2c2d 3131 3130 2e34 2437.98,-1110.4\n-00012df0: 3520 3234 3335 2e34 332c 2d31 3130 392e 5 2435.43,-1109.\n-00012e00: 3737 222f 3e0a 3c70 6f6c 7967 6f6e 2066 77\"/>.<polygon f\n-00012e10: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00012e20: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00012e30: 6f69 6e74 733d 2232 3433 362e 3238 2c2d oints=\"2436.28,-\n-00012e40: 3131 3036 2e33 3720 3234 3235 2e37 2c2d 1106.37 2425.7,-\n-00012e50: 3131 3037 2e30 3120 3234 3334 2e33 372c 1107.01 2434.37,\n-00012e60: 2d31 3131 332e 3131 2032 3433 362e 3238 -1113.11 2436.28\n-00012e70: 2c2d 3131 3036 2e33 3722 2f3e 0a3c 2f67 ,-1106.37\"/>.</g\n-00012e80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00012e90: 635f 6772 6f6d 6163 735f 6177 6826 2334 c_gromacs_awh\n-00012ea0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00012eb0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00012ec0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00012ed0: 3131 3022 2063 6c61 7373 3d22 6564 6765 110\" class=\"edge\n-00012ee0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00012ef0: 5f73 7263 5f67 726f 6d61 6373 5f61 7768 _src_gromacs_awh\n-00012f00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00012f10: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00012f20: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes..\n-00012ff0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n-000130b0: 6720 6964 3d22 6564 6765 3132 3122 2063 g id=\"edge121\" c\n-000130c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000130e0: 726f 6d61 6373 5f61 7768 2623 3435 3b26 romacs_awh-&\n-000130f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013100: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-00013110: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00013280: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-000132f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00013300: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n-00013310: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00013320: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming....\n-000134b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-00013520: 756c 655f 7372 635f 6772 6f6d 6163 735f 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3435 cs_restraint-\n-00014740: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014750: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n-00014760: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00014770: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00014780: 2223 6266 6266 6266 2220 643d 224d 3137 \"#bfbfbf\" d=\"M17\n-00014790: 3839 2e36 392c 2d31 3032 322e 3637 4331 89.69,-1022.67C1\n-000147a0: 3831 392e 3836 2c2d 3939 342e 3833 2031 819.86,-994.83 1\n-000147b0: 3839 382e 3131 2c2d 3932 322e 3320 3139 898.11,-922.3 19\n-000147c0: 3632 2c2d 3836 302e 3138 2031 3938 312e 62,-860.18 1981.\n-000147d0: 3439 2c2d 3834 312e 3233 2032 3030 332e 49,-841.23 2003.\n-000147e0: 3339 2c2d 3831 392e 3135 2032 3031 382e 39,-819.15 2018.\n-000147f0: 3436 2c2d 3830 332e 3832 222f 3e0a 3c70 46,-803.82\"/>.<p\n-00014800: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00014810: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" 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6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00006fd0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00006fe0: 3d22 352c 3222 2064 3d22 4d32 3832 392e =\"5,2\" d=\"M2829.\n+00006ff0: 3232 2c2d 3130 3838 2e36 3943 3238 3631 22,-1088.69C2861\n+00007000: 2e30 322c 2d31 3038 302e 3937 2032 3930 .02,-1080.97 290\n+00007010: 352e 3932 2c2d 3130 3637 2e38 3720 3239 5.92,-1067.87 29\n+00007020: 3432 2c2d 3130 3438 2e37 3920 3330 3231 42,-1048.79 3021\n+00007030: 2e39 362c 2d31 3030 362e 3532 2033 3035 .96,-1006.52 305\n+00007040: 302e 3436 2c2d 3939 372e 3337 2033 3130 0.46,-997.37 310\n+00007050: 322c 2d39 3233 2e30 3520 3331 3534 2e37 2,-923.05 3154.7\n+00007060: 312c 2d38 3437 2e30 3420 3331 3536 2e39 1,-847.04 3156.9\n+00007070: 392c 2d37 3330 2e36 3620 3331 3535 2e33 9,-730.66 3155.3\n+00007080: 312c 2d36 3831 2e38 3822 2f3e 0a3c 706f 1,-681.88\"/>....\n+00007150: 3c67 2069 643d 2265 6467 6533 3822 2063 .module_src_g\n+00007180: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00007190: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+000071a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000071b0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+000071c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+00007310: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00007320: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00007330: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00007340: 3138 3434 2e38 392c 2d34 3738 2e38 3320 1844.89,-478.83 \n+00007350: 3138 3334 2e32 392c 2d34 3738 2e39 3320 1834.29,-478.93 \n+00007360: 3138 3432 2e36 342c 2d34 3835 2e34 3620 1842.64,-485.46 \n+00007370: 3138 3434 2e38 392c 2d34 3738 2e38 3322 1844.89,-478.83\"\n+00007380: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n+000073f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00007400: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+00007410: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00007420: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007430: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+00007440: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00007450: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00007460: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00007470: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00007480: 4d32 3733 342e 3135 2c2d 3130 3934 2e37 M2734.15,-1094.7\n+00007490: 3243 3236 3737 2e33 332c 2d31 3039 322e 2C2677.33,-1092.\n+000074a0: 3134 2032 3538 352e 3935 2c2d 3130 3838 14 2585.95,-1088\n+000074b0: 2e30 3520 3235 3037 2c2d 3130 3834 2e37 .05 2507,-1084.7\n+000074c0: 3920 3230 3236 2e34 382c 2d31 3036 342e 9 2026.48,-1064.\n+000074d0: 3934 2031 3434 322e 3532 2c2d 3130 3433 94 1442.52,-1043\n+000074e0: 2e34 2031 3238 382e 3635 2c2d 3130 3337 .4 1288.65,-1037\n+000074f0: 2e37 3722 2f3e 0a3c 706f 6c79 676f 6e20 .77\"/>.<polygon \n+00007500: 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655f 7372 635f itle>module_src_\n+000075f0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00007600: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00007610: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007620: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+00007630: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......m\n+00007800: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007810: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00007820: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00007830: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+00007840: 6374 696f 6e3c 2f74 6974 6c65 3e0a 3c70 ction......module_src_grom\n+00007a50: 6163 735f 6d64 7370 616e 3c2f 7469 746c acs_mdspan..mdspan.\n+00007b20: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00007e30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007e40: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00007e50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00007e60: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00007e70: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io..\n+00007f70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n+00008060: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00008070: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+00008080: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00008090: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+000080a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000080b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000080c0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+000080d0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+000080e0: 643d 224d 3238 3332 2e36 382c 2d31 3038 d=\"M2832.68,-108\n+000080f0: 392e 3531 4332 3837 392e 3733 2c2d 3130 9.51C2879.73,-10\n+00008100: 3830 2e38 3820 3239 3536 2e36 342c 2d31 80.88 2956.64,-1\n+00008110: 3036 352e 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5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+000082f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008300: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil</titl\n+00008310: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00008320: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00008330: 6266 6266 2220 643d 224d 3237 3832 2e32 bfbf\" d=\"M2782.2\n+00008340: 392c 2d31 3038 342e 3739 4332 3735 362e 9,-1084.79C2756.\n+00008350: 3838 2c2d 3130 3338 2e30 3320 3236 3635 88,-1038.03 2665\n+00008360: 2e38 312c 2d38 3733 2e33 3820 3236 3232 .81,-873.38 2622\n+00008370: 2c2d 3833 332e 3331 2032 3539 362e 3138 ,-833.31 2596.18\n+00008380: 2c2d 3830 392e 3720 3235 3830 2e30 322c ,-809.7 2580.02,\n+00008390: 2d38 3138 2e32 3620 3235 3532 2c2d 3739 -818.26 2552,-79\n+000083a0: 372e 3331 2032 3532 312e 3036 2c2d 3737 7.31 2521.06,-77\n+000083b0: 342e 3139 2032 3531 302e 3639 2c2d 3736 4.19 2510.69,-76\n+000083c0: 382e 3234 2032 3439 322c 2d37 3334 2e34 8.24 2492,-734.4\n+000083d0: 3420 3234 3631 2e33 352c 2d36 3739 2032 4 2461.35,-679 2\n+000083e0: 3435 372c 2d36 3539 2e36 3220 3234 3537 457,-659.62 2457\n+000083f0: 2c2d 3539 362e 3237 2032 3435 372c 2d35 ,-596.27 2457,-5\n+00008400: 3936 2e32 3720 3234 3537 2c2d 3539 362e 96.27 2457,-596.\n+00008410: 3237 2032 3435 372c 2d35 3331 2e34 2032 27 2457,-531.4 2\n+00008420: 3435 372c 2d34 3932 2e37 3420 3234 3335 457,-492.74 2435\n+00008430: 2e37 362c 2d34 3531 2e39 3120 3234 3230 .76,-451.91 2420\n+00008440: 2e39 372c 2d34 3238 2e31 3622 2f3e 0a3c .97,-428.16\"/>.<\n+00008450: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00008460: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00008470: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00008480: 3234 3233 2e38 342c 2d34 3236 2e31 3620 2423.84,-426.16 \n+00008490: 3234 3135 2e34 382c 2d34 3139 2e36 3520 2415.48,-419.65 \n+000084a0: 3234 3137 2e39 362c 2d34 3239 2e39 3520 2417.96,-429.95 \n+000084b0: 3234 3233 2e38 342c 2d34 3236 2e31 3622 2423.84,-426.16\"\n+000084c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000084d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000084e0: 636f 6d70 6174 202d 2d3e 0a3c 6720 6964 compat -->.<g id\n+000084f0: 3d22 6e6f 6465 3335 2220 636c 6173 733d =\"node35\" class=\n+00008500: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+00008510: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008520: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n+00008530: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..compa\n+000085e0: 743c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 t....m\n+00008660: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008670: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00008680: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008690: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+000086a0: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at..\n+000087b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+00008820: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n+000088a0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+000088b0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000088c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000088d0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......modu\n+00008a90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00008aa0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00008ab0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00008ac0: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+00008ad0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+00008d50: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00008d60: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+00008d70: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+00008d80: 7374 7574 696c 733c 2f74 6974 6c65 3e0a 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7369 7a65 3d22 3130 2e30 font-size=\"10.0\n+00009040: 3022 3e6c 696e 6561 7261 6c67 6562 7261 0\">linearalgebra\n+00009050: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d </text>.</g>.<!-\n+00009060: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00009070: 6d61 6373 5f6d 6174 6826 2334 353b 2667 macs_math-&g\n+00009080: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00009090: 6d61 6373 5f6c 696e 6561 7261 6c67 6562 macs_linearalgeb\n+000090a0: 7261 202d 2d3e 0a3c 6720 6964 3d22 6564 ra -->.<g id=\"ed\n+000090b0: 6765 3437 2220 636c 6173 733d 2265 6467 ge47\" class=\"edg\n+000090c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000090d0: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+000090e0: 7468 2623 3435 3b26 6774 3b6d 6f64 756c th->modul\n+000090f0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00009100: 6e65 6172 616c 6765 6272 613c 2f74 6974 nearalgebra</tit\n+00009110: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path 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635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000ba50: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib...\n+0000bb40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+0000bb90: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n+0000bba0: 643c 2f74 6974 6c65 3e0a 3c67 2069 643d d...simd.<\n+0000bcc0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>....\n+0000bd10: 3c67 2069 643d 2265 6467 6536 3922 2063 .module_src_g\n+0000bd40: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0000bd50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000bd60: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd...<\n+0000bec0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+0000bf30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000bf40: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+0000bf50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000bf60: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n+0000bf70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000bf80: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000bf90: 6266 6266 2220 643d 224d 3830 302e 3138 bfbf\" d=\"M800.18\n+0000bfa0: 2c2d 3130 3935 2e35 3143 3734 312e 3139 ,-1095.51C741.19\n+0000bfb0: 2c2d 3130 3931 2e34 3120 3630 392e 3538 ,-1091.41 609.58\n+0000bfc0: 2c2d 3130 3739 2e30 3220 3537 382c 2d31 ,-1079.02 578,-1\n+0000bfd0: 3034 382e 3739 2035 3436 2e38 352c 2d31 048.79 546.85,-1\n+0000bfe0: 3031 382e 3937 2035 3234 2e30 322c 2d37 018.97 524.02,-7\n+0000bff0: 3439 2e39 3220 3532 332c 2d37 3334 2e34 49.92 523,-734.4\n+0000c000: 3420 3532 302e 3335 2c2d 3639 342e 3233 4 520.35,-694.23\n+0000c010: 2035 3234 2e33 2c2d 3638 332e 3237 2035 524.3,-683.27 5\n+0000c020: 3336 2c2d 3634 342e 3720 3535 332e 3531 36,-644.7 553.51\n+0000c030: 2c2d 3538 362e 3939 2035 3531 2e33 2c2d ,-586.99 551.3,-\n+0000c040: 3536 372e 3536 2035 3837 2c2d 3531 382e 567.56 587,-518.\n+0000c050: 3936 2036 3236 2e30 332c 2d34 3635 2e38 96 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6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+0000c150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c160: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069 _domdec -->.<g i\n+0000c170: 643d 2265 6467 6537 3022 2063 6c61 7373 d=\"edge70\" class\n+0000c180: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0000c190: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c1a0: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+0000c1b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000c1c0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n+0000c1d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000c1e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000c1f0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000c200: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000c210: 4d38 3537 2e32 352c 2d31 3039 342e 3939 M857.25,-1094.99\n+0000c220: 4339 3238 2e34 342c 2d31 3038 392e 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module_src_gro\n+0000c310: 6d61 6373 5f68 6172 6477 6172 6520 2d2d macs_hardware --\n+0000c320: 3e0a 3c67 2069 643d 226e 6f64 6532 3122 >.<g id=\"node21\"\n+0000c330: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+0000c340: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000c350: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+0000c360: 653c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 e..hardware..\n+0000c470: 0a3c 6720 6964 3d22 6564 6765 3736 2220 ..module_src_\n+0000c4a0: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+0000c4b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c4c0: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+0000c4d0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module_src_gro\n+0000c680: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+0000c690: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000c6a0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio.....<\n+0000c840: 6720 6964 3d22 6e6f 6465 3332 2220 636c g id=\"node32\" cl\n+0000c850: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+0000c870: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm...\n+0000c990: 6e62 6e78 6d3c 2f74 6578 743e 0a3c 2f61 nbnxm.....<\n+0000c9f0: 6720 6964 3d22 6564 6765 3733 2220 636c g id=\"edge73\" cl\n+0000ca00: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000ca20: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n+0000ca30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000ca40: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm...\n+0000cb40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0000cbb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000cbc0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+0000cbd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000cbe0: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n+0000cbf0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000ccf0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0000cd00: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0000cd10: 3d22 3233 3635 2e32 352c 2d34 3131 2e31 =\"2365.25,-411.1\n+0000cd20: 3820 3233 3735 2e32 342c 2d34 3037 2e36 8 2375.24,-407.6\n+0000cd30: 3520 3233 3635 2e32 332c 2d34 3034 2e31 5 2365.23,-404.1\n+0000cd40: 3820 3233 3635 2e32 352c 2d34 3131 2e31 8 2365.25,-411.1\n+0000cd50: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>.</g>.<!-- m\n+0000cd60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000cd70: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+0000cd80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000cd90: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n+0000cda0: 2069 643d 2265 6467 6537 3122 2063 6c61 id=\"edge71\" cla\n+0000cdb0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000cdc0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000cdd0: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+0000cde0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000cdf0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n+0000ce00: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000ce10: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000ce20: 6266 6266 6266 2220 643d 224d 3835 372e bfbfbf\" d=\"M857.\n+0000ce30: 3838 2c2d 3130 3936 2e36 3343 3937 302e 88,-1096.63C970.\n+0000ce40: 3939 2c2d 3130 3933 2e36 3720 3133 3933 99,-1093.67 1393\n+0000ce50: 2e39 362c 2d31 3037 362e 3820 3137 3237 .96,-1076.8 1727\n+0000ce60: 2c2d 3938 352e 3932 2031 3830 322e 3731 ,-985.92 1802.71\n+0000ce70: 2c2d 3936 352e 3236 2031 3831 392e 3335 ,-965.26 1819.35\n+0000ce80: 2c2d 3935 322e 3733 2031 3839 322c 2d39 ,-952.73 1892,-9\n+0000ce90: 3233 2e30 3520 3139 3536 2e36 352c 2d38 23.05 1956.65,-8\n+0000cea0: 3936 2e36 3420 3139 3733 2e31 352c 2d38 96.64 1973.15,-8\n+0000ceb0: 3930 2e36 3220 3230 3336 2c2d 3836 302e 90.62 2036,-860.\n+0000cec0: 3138 2032 3037 362e 3339 2c2d 3834 302e 18 2076.39,-840.\n+0000ced0: 3632 2032 3132 322e 3032 2c2d 3831 352e 62 2122.02,-815.\n+0000cee0: 3732 2032 3135 302e 3135 2c2d 3830 302e 72 2150.15,-800.\n+0000cef0: 3033 222f 3e0a 3c70 6f6c 7967 6f6e 2066 03\"/>.<polygon f\n+0000cf00: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000cf10: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000cf20: 6f69 6e74 733d 2232 3135 312e 3937 2c2d oints=\"2151.97,-\n+0000cf30: 3830 332e 3033 2032 3135 382e 3938 2c2d 803.03 2158.98,-\n+0000cf40: 3739 352e 3039 2032 3134 382e 3535 2c2d 795.09 2148.55,-\n+0000cf50: 3739 362e 3932 2032 3135 312e 3937 2c2d 796.92 2151.97,-\n+0000cf60: 3830 332e 3033 222f 3e0a 3c2f 673e 0a3c 803.03\"/>.</g>.<\n+0000cf70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000cf80: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0000cf90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000cfa0: 6772 6f6d 6163 735f 7469 6d69 6e67 202d gromacs_timing -\n+0000cfb0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3637 ->.<g id=\"edge67\n+0000cfc0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000cfd0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000cfe0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+0000cff0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000d000: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+0000d010: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g......mod\n+0000d3e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000d3f0: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+0000d400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000d410: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+0000d420: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n+0000d600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000d610: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+0000d620: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+0000d630: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modul\n+0000d830: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000d840: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+0000d850: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000d860: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math......mo\n+0000da10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000da20: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+0000da30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000da40: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+0000da50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000da60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000da70: 6266 6266 6266 2220 643d 224d 3138 3034 bfbfbf\" d=\"M1804\n+0000da80: 2e39 392c 2d34 3535 2e39 3943 3137 3939 .99,-455.99C1799\n+0000da90: 2e39 392c 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cs_pbcutil -->.<\n+0000db80: 6720 6964 3d22 6564 6765 3833 2220 636c g id=\"edge83\" cl\n+0000db90: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000dba0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000dbb0: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n+0000dbc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000dbd0: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n+0000dbe0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000dc50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0000dd10: 6720 6964 3d22 6564 6765 3832 2220 636c g id=\"edge82\" cl\n+0000dd20: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000dd40: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n+0000dd50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000dd60: 5f67 726f 6d61 6373 5f74 696d 696e 673c _gromacs_timing<\n+0000dd70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+0000dde0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n+0000de50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+0000ded0: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0000dee0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000def0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+0000df00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+0000dfa0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000dfb0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000dfc0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000dfd0: 3936 342e 3737 2c2d 3334 342e 3335 2039 964.77,-344.35 9\n+0000dfe0: 3534 2e35 362c 2d33 3437 2e31 3820 3936 54.56,-347.18 96\n+0000dff0: 342e 332c 2d33 3531 2e33 3420 3936 342e 4.3,-351.34 964.\n+0000e000: 3737 2c2d 3334 342e 3335 222f 3e0a 3c2f 77,-344.35\"/>....mo\n+0000e080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e090: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+0000e0a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e0b0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+0000e0c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000e0d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+0000e0e0: 6163 6b22 2064 3d22 4d31 3738 372e 3536 ack\" d=\"M1787.56\n+0000e0f0: 2c2d 3435 372e 3633 4331 3735 362e 3936 ,-457.63C1756.96\n+0000e100: 2c2d 3433 382e 3838 2031 3730 312c 2d33 ,-438.88 1701,-3\n+0000e110: 3937 2e34 2031 3730 312c 2d33 3434 2e37 97.4 1701,-344.7\n+0000e120: 3920 3137 3031 2c2d 3334 342e 3739 2031 9 1701,-344.79 1\n+0000e130: 3730 312c 2d33 3434 2e37 3920 3137 3031 701,-344.79 1701\n+0000e140: 2c2d 3231 372e 3035 2031 3730 312c 2d31 ,-217.05 1701,-1\n+0000e150: 3233 2e37 3320 3138 3035 2e38 322c 2d31 23.73 1805.82,-1\n+0000e160: 3631 2e36 2031 3839 372c 2d31 3431 2e37 61.6 1897,-141.7\n+0000e170: 3420 3230 3430 2e35 352c 2d31 3130 2e34 4 2040.55,-110.4\n+0000e180: 3720 3235 3030 2e32 332c 2d39 372e 3420 7 2500.23,-97.4 \n+0000e190: 3236 3336 2e35 352c 2d39 342e 3135 222f 2636.55,-94.15\"/\n+0000e1a0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000e1b0: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n+0000e1c0: 626c 6163 6b22 2070 6f69 6e74 733d 2232 black\" points=\"2\n+0000e1d0: 3633 362e 3938 2c2d 3937 2e36 3420 3236 636.98,-97.64 26\n+0000e1e0: 3436 2e39 2c2d 3933 2e39 3120 3236 3336 46.9,-93.91 2636\n+0000e1f0: 2e38 322c 2d39 302e 3635 2032 3633 362e .82,-90.65 2636.\n+0000e200: 3938 2c2d 3937 2e36 3422 2f3e 0a3c 2f67 98,-97.64\"/>.</g\n+0000e210: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0000e220: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+0000e230: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000e240: 7263 5f67 726f 6d61 6373 5f6d 6174 6820 rc_gromacs_math \n+0000e250: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538 -->.<g id=\"edge8\n+0000e260: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+0000e270: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000e280: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000e290: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000e2a0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+0000e2b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+0000e4b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e4c0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+0000e4d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e4e0: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+0000e4f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000e500: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000e510: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+0000e520: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000e530: 643d 224d 3132 3737 2e38 352c 2d31 3033 d=\"M1277.85,-103\n+0000e540: 322e 3735 4331 3335 312e 3535 2c2d 3130 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ewald..\n+0000e7f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0000e860: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e870: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+0000e880: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e890: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+0000e8a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000e8b0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000e8c0: 6266 6266 2220 643d 224d 3132 3439 2e30 bfbf\" d=\"M1249.0\n+0000e8d0: 392c 2d31 3032 312e 3535 4331 3234 342e 9,-1021.55C1244.\n+0000e8e0: 3539 2c2d 3935 342e 3531 2031 3232 372e 59,-954.51 1227.\n+0000e8f0: 3538 2c2d 3634 342e 3631 2031 3239 322c 58,-644.61 1292,\n+0000e900: 2d35 3831 2e38 3320 3133 3633 2e38 352c -581.83 1363.85,\n+0000e910: 2d35 3131 2e38 3220 3136 3534 2e32 322c -511.82 1654.22,\n+0000e920: 2d35 3934 2e34 2031 3734 322c 2d35 3435 -594.4 1742,-545\n+0000e930: 2e38 3320 3137 3535 2e30 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module_src_groma\n+0000ea20: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+0000ea30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ea40: 6163 735f 7369 6d64 202d 2d3e 0a3c 6720 acs_simd -->.<g \n+0000ea50: 6964 3d22 6564 6765 3839 2220 636c 6173 id=\"edge89\" clas\n+0000ea60: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0000ea70: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000ea80: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+0000ea90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000eaa0: 6d61 6373 5f73 696d 643c 2f74 6974 6c65 macs_simd</title\n+0000eab0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000eac0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0000ead0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0000eae0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0000eaf0: 3132 3534 2e34 342c 2d31 3032 322e 3031 1254.44,-1022.01\n+0000eb00: 4331 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3334 362e .45 3246.3,-346.\n+0000edc0: 3231 222f 3e0a 3c70 6f6c 7967 6f6e 2066 21\"/>.<polygon f\n+0000edd0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000ede0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000edf0: 6f69 6e74 733d 2233 3234 362e 3532 2c2d oints=\"3246.52,-\n+0000ee00: 3334 392e 3731 2033 3235 362e 3432 2c2d 349.71 3256.42,-\n+0000ee10: 3334 352e 3932 2033 3234 362e 3332 2c2d 345.92 3246.32,-\n+0000ee20: 3334 322e 3731 2033 3234 362e 3532 2c2d 342.71 3246.52,-\n+0000ee30: 3334 392e 3731 222f 3e0a 3c2f 673e 0a3c 349.71\"/>.</g>.<\n+0000ee40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000ee50: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0000ee60: 6974 7920 2d2d 3e0a 3c67 2069 643d 226e ity -->.<g id=\"n\n+0000ee70: 6f64 6531 3522 2063 6c61 7373 3d22 6e6f ode15\" class=\"no\n+0000ee80: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n+0000ee90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000eea0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n+0000eeb0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n+0000eec0: 6531 3522 3e3c 6120 786c 696e 6b3a 6872 e15\"><a xlink:hr\n+0000eed0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n+0000eee0: 655f 5f6d 6472 756e 7574 696c 6974 792e e__mdrunutility.\n+0000eef0: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n+0000ef00: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n+0000ef10: 3d22 6d64 7275 6e75 7469 6c69 7479 223e =\"mdrunutility\">\n+0000ef20: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n+0000ef30: 2365 3563 6366 6622 2073 7472 6f6b 653d #e5ccff\" stroke=\n+0000ef40: 2262 6c61 636b 2220 6378 3d22 3136 3435 \"black\" cx=\"1645\n+0000ef50: 2220 6379 3d22 2d37 3231 2e30 3122 2072 \" cy=\"-721.01\" r\n+0000ef60: 783d 2234 372e 3235 2220 7279 3d22 3133 x=\"47.25\" ry=\"13\n+0000ef70: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+0000ef80: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+0000ef90: 2220 783d 2231 3634 3522 2079 3d22 2d37 \" x=\"1645\" y=\"-7\n+0000efa0: 3138 2e35 3122 2066 6f6e 742d 6661 6d69 18.51\" font-fami\n+0000efb0: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n+0000efc0: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n+0000efd0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7465 mdrunutility</te\n+0000efe0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f xt>.</a>.</g>.</\n+0000eff0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000f000: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000f010: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000f020: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000f030: 6e75 7469 6c69 7479 202d 2d3e 0a3c 6720 nutility -->.<g \n+0000f040: 6964 3d22 6564 6765 3130 3222 2063 6c61 id=\"edge102\" cla\n+0000f050: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000f060: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000f070: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+0000f080: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000f090: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+0000f0a0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty....\n+0000f210: 0a3c 6720 6964 3d22 6564 6765 3930 2220 ..module_src_\n+0000f240: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+0000f250: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000f260: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+0000f270: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n+0000f400: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0000f470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f480: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+0000f490: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f4a0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n+0000f4b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n+0000f630: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000f640: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+0000f650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+0000f660: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom......mod\n+0000f880: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f890: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+0000f8a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f8b0: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n+0000f8c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+0000f9d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000f9e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+0000f9f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000fa00: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+0000fa10: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module_\n+0000fa40: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+0000fa50: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+0000fa60: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+0000fa70: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware......modu\n+0000fc30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000fc40: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+0000fc50: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..\n+0000fcb0: 3c74 6578 7420 7465 7874 2d61 6e63 686f essent\n+0000fd10: 6961 6c64 796e 616d 6963 733c 2f74 6578 ialdynamics....modu\n+0000fda0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000fdb0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+0000fdc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000fdd0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+0000fde0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_\n+00010170: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00010180: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00010190: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+000101a0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio..\n+000102e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+00010350: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010360: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+00010370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00010380: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n+00010390: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000103a0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+000103b0: 224d 3132 3232 2e39 2c2d 3130 3331 2e31 \"M1222.9,-1031.1\n+000103c0: 3543 3131 3736 2e37 322c 2d31 3032 342e 5C1176.72,-1024.\n+000103d0: 3720 3130 3831 2e31 312c 2d31 3030 382e 7 1081.11,-1008.\n+000103e0: 3737 2031 3030 332c 2d39 3835 2e39 3220 77 1003,-985.92 \n+000103f0: 3934 342e 392c 2d39 3638 2e39 3220 3837 944.9,-968.92 87\n+00010400: 392e 3732 2c2d 3934 322e 3120 3834 332e 9.72,-942.1 843.\n+00010410: 3834 2c2d 3932 352e 3438 222f 3e0a 3c70 84,-925.48\"/>....\n+000104d0: 3c67 2069 643d 2265 6467 6538 3522 2063 .module_src_g\n+00010500: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00010510: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00010520: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n+00010530: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....\n+00010740: 3c67 2069 643d 226e 6f64 6533 3422 2063 .module_src_g\n+00010770: 726f 6d61 6373 5f74 6162 6c65 733c 2f74 romacs_tables...tables......modu\n+00010920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00010930: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00010940: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010950: 7461 626c 6573 3c2f 7469 746c 653e 0a3c tables.<\n+00010960: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00010970: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00010980: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00010990: 6179 3d22 352c 3222 2064 3d22 4d31 3235 ay=\"5,2\" d=\"M125\n+000109a0: 372e 3836 2c2d 3130 3232 2e34 3443 3132 7.86,-1022.44C12\n+000109b0: 3637 2e38 342c 2d31 3030 372e 3435 2031 67.84,-1007.45 1\n+000109c0: 3238 352e 3732 2c2d 3938 3120 3133 3032 285.72,-981 1302\n+000109d0: 2c2d 3935 392e 3035 2031 3431 312e 3731 ,-959.05 1411.71\n+000109e0: 2c2d 3831 312e 3132 2031 3431 362e 3531 ,-811.12 1416.51\n+000109f0: 2c2d 3734 332e 3420 3135 3732 2c2d 3634 ,-743.4 1572,-64\n+00010a00: 342e 3720 3136 3035 2e34 322c 2d36 3233 4.7 1605.42,-623\n+00010a10: 2e34 3920 3136 3439 2e31 312c 2d36 3130 .49 1649.11,-610\n+00010a20: 2e35 3520 3136 3739 2e37 372c 2d36 3033 .55 1679.77,-603\n+00010a30: 2e34 3522 2f3e 0a3c 706f 6c79 676f 6e20 .45\"/>...\n+00010ab0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+00010b20: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00010b30: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00010b40: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00010b50: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat..\n+00010c40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....<\n+00010d10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00010d20: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00010d30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00010d40: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00010d50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00010e20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+00010f10: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+00010f20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00010f30: 6d61 6373 5f74 696d 696e 673c 2f74 6974 macs_timing......mo\n+000110f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011100: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00011110: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011120: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00011130: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00011140: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00011150: 6662 6662 6622 2064 3d22 4d31 3232 352e fbfbf\" d=\"M1225.\n+00011160: 3936 2c2d 3130 3238 2e32 3243 3131 3834 96,-1028.22C1184\n+00011170: 2e37 312c 2d31 3031 362e 3138 2031 3130 .71,-1016.18 110\n+00011180: 312e 3937 2c2d 3938 352e 3037 2031 3037 1.97,-985.07 107\n+00011190: 322c 2d39 3233 2e30 3520 3130 3239 2e39 2,-923.05 1029.9\n+000111a0: 332c 2d38 3335 2e39 3920 3130 3633 2e34 3,-835.99 1063.4\n+000111b0: 2c2d 3830 312e 3837 2031 3034 322c 2d37 ,-801.87 1042,-7\n+000111c0: 3037 2e35 3720 3130 3239 2e30 322c 2d36 07.57 1029.02,-6\n+000111d0: 3530 2e33 3820 3130 3230 2e38 392c 2d36 50.38 1020.89,-6\n+000111e0: 3337 2e33 3520 3130 3032 2c2d 3538 312e 37.35 1002,-581.\n+000111f0: 3833 2039 3734 2e39 362c 2d35 3032 2e33 83 974.96,-502.3\n+00011200: 3620 3934 302e 3138 2c2d 3430 382e 3935 6 940.18,-408.95\n+00011210: 2039 3234 2e34 322c 2d33 3637 2e30 3722 924.42,-367.07\"\n+00011220: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00011230: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00011240: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00011250: 7473 3d22 3932 372e 3634 2c2d 3336 352e ts=\"927.64,-365.\n+00011260: 3639 2039 3230 2e38 342c 2d33 3537 2e35 69 920.84,-357.5\n+00011270: 3720 3932 312e 3039 2c2d 3336 382e 3136 7 921.09,-368.16\n+00011280: 2039 3237 2e36 342c 2d33 3635 2e36 3922 927.64,-365.69\"\n+00011290: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000112a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000112b0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+000112c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000112d0: 5f69 6d64 202d 2d3e 0a3c 6720 6964 3d22 _imd -->.<g id=\"\n+000112e0: 6564 6765 3130 3722 2063 6c61 7373 3d22 edge107\" class=\"\n+000112f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00011300: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011310: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00011320: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011330: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70 s_imd......<\n+00011480: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00011490: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+000114a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000114b0: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+000114c0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......m\n+00011700: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011710: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00011720: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011730: 6373 5f61 7768 3c2f 7469 746c 653e 0a3c cs_awh.<\n+00011740: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011750: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00011760: 224d 3132 3738 2e31 372c 2d31 3033 362e \"M1278.17,-1036.\n+00011770: 3736 4331 3439 382e 3438 2c2d 3130 3339 76C1498.48,-1039\n+00011780: 2e39 3620 3239 3338 2e37 382c 2d31 3036 .96 2938.78,-106\n+00011790: 312e 3720 3330 3237 2c2d 3130 3834 2e37 1.7 3027,-1084.7\n+000117a0: 3920 3330 3732 2e36 2c2d 3130 3936 2e37 9 3072.6,-1096.7\n+000117b0: 3320 3331 3139 2e39 342c 2d31 3132 352e 3 3119.94,-1125.\n+000117c0: 3433 2033 3134 372e 3039 2c2d 3131 3433 43 3147.09,-1143\n+000117d0: 2e37 3522 2f3e 0a3c 706f 6c79 676f 6e20 .75\"/>.....m\n+000118b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000118c0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000118d0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+000118e0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils......modu\n+00011b20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00011b30: 696e 6561 7261 6c67 6562 7261 2623 3435 inearalgebra-\n+00011b40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011b50: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+00011b60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00011b70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00011b80: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+00011b90: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00011ba0: 643d 224d 3236 3033 2e31 362c 2d31 3432 d=\"M2603.16,-142\n+00011bb0: 2e34 3443 3236 3136 2e38 342c 2d31 3333 .44C2616.84,-133\n+00011bc0: 2e30 3820 3236 3336 2e31 352c 2d31 3139 .08 2636.15,-119\n+00011bd0: 2e38 3820 3236 3531 2e33 312c 2d31 3039 .88 2651.31,-109\n+00011be0: 2e35 3122 2f3e 0a3c 706f 6c79 676f 6e20 .51\"/>.<polygon \n+00011bf0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472 fill=\"black\" str\n+00011c00: 6f6b 653d 2262 6c61 636b 2220 706f 696e oke=\"black\" poin\n+00011c10: 7473 3d22 3236 3533 2e34 2c2d 3131 322e ts=\"2653.4,-112.\n+00011c20: 3332 2032 3635 392e 3638 2c2d 3130 332e 32 2659.68,-103.\n+00011c30: 3739 2032 3634 392e 3435 2c2d 3130 362e 79 2649.45,-106.\n+00011c40: 3534 2032 3635 332e 342c 2d31 3132 2e33 54 2653.4,-112.3\n+00011c50: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n+00011c60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011c70: 735f 746f 6f6c 7320 2d2d 3e0a 3c67 2069 s_tools -->.<g i\n+00011c80: 643d 226e 6f64 6531 3222 2063 6c61 7373 d=\"node12\" class\n+00011c90: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00011ca0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011cb0: 6373 5f74 6f6f 6c73 3c2f 7469 746c 653e cs_tools\n+00011cc0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..t\n+00011d70: 6f6f 6c73 3c2f 7465 7874 3e0a 3c2f 673e ools.\n+00011d80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00011e00: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+00011e10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00011e20: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00011e30: 7373 3c2f 7469 746c 653e 0a3c 7061 7468 ss..\n+00011f20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+00011f90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011fa0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00011fb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011fc0: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math......module\n+00012230: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00012240: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00012250: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00012260: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+00012270: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00012280: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+00012290: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n+000122a0: 7261 793d 2235 2c32 2220 643d 224d 3239 ray=\"5,2\" d=\"M29\n+000122b0: 3034 2e30 342c 2d31 3334 382e 3737 4333 04.04,-1348.77C3\n+000122c0: 3036 302e 3237 2c2d 3133 3438 2e39 3420 060.27,-1348.94 \n+000122d0: 3338 3438 2e38 2c2d 3133 3437 2e34 3120 3848.8,-1347.41 \n+000122e0: 3430 3836 2c2d 3133 3030 2e32 3720 3431 4086,-1300.27 41\n+000122f0: 3635 2e34 322c 2d31 3238 342e 3439 2034 65.42,-1284.49 4\n+00012300: 3230 352e 3039 2c2d 3132 3939 2e35 3520 205.09,-1299.55 \n+00012310: 3432 3537 2c2d 3132 3337 2e34 2034 3333 4257,-1237.4 433\n+00012320: 332e 3434 2c2d 3131 3435 2e38 3820 3432 3.44,-1145.88 42\n+00012330: 3731 2e39 382c 2d37 3732 2e35 3620 3431 71.98,-772.56 41\n+00012340: 3732 2c2d 3730 372e 3537 2034 3038 382e 72,-707.57 4088.\n+00012350: 3337 2c2d 3635 332e 3231 2033 3337 342e 37,-653.21 3374.\n+00012360: 3439 2c2d 3637 382e 3637 2033 3237 352c 49,-678.67 3275,\n+00012370: 2d36 3731 2e35 3720 3332 3533 2e38 332c -671.57 3253.83,\n+00012380: 2d36 3730 2e30 3620 3332 3330 2e36 332c -670.06 3230.63,\n+00012390: 2d36 3637 2e38 3220 3332 3130 2e32 352c -667.82 3210.25,\n+000123a0: 2d36 3635 2e36 3522 2f3e 0a3c 706f 6c79 -665.65\"/>.<poly\n+000123b0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n+000123c0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000123d0: 706f 696e 7473 3d22 3332 3130 2e35 312c points=\"3210.51,\n+000123e0: 2d36 3632 2e31 3620 3332 3030 2e31 392c -662.16 3200.19,\n+000123f0: 2d36 3634 2e35 3720 3332 3039 2e37 362c -664.57 3209.76,\n+00012400: 2d36 3639 2e31 3220 3332 3130 2e35 312c -669.12 3210.51,\n+00012410: 2d36 3632 2e31 3622 2f3e 0a3c 2f67 3e0a -662.16\"/>.</g>.\n+00012420: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00012430: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+00012440: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00012450: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e _gromacs_fft -->\n+00012460: 0a3c 6720 6964 3d22 6564 6765 3132 3122 .<g id=\"edge121\"\n+00012470: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00012480: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00012490: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+000124a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000124b0: 635f 6772 6f6d 6163 735f 6666 743c 2f74 c_gromacs_fft</t\n+000124c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000124d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000124e0: 2362 6662 6662 6622 2064 3d22 4d32 3930 #bfbfbf\" d=\"M290\n+000124f0: 332e 3533 2c2d 3133 3436 2e36 3343 3330 3.53,-1346.63C30\n+00012500: 3036 2e36 322c 2d31 3333 362e 3920 3333 06.62,-1336.9 33\n+00012510: 3738 2e38 2c2d 3132 3835 2e36 3520 3334 78.8,-1285.65 34\n+00012520: 3539 2c2d 3130 3438 2e37 3920 3334 3834 59,-1048.79 3484\n+00012530: 2e35 322c 2d39 3733 2e34 3320 3334 3338 .52,-973.43 3438\n+00012540: 2e32 352c 2d37 3731 2e38 3720 3334 3337 .25,-771.87 3437\n+00012550: 2c2d 3737 302e 3434 2033 3339 362e 3939 ,-770.44 3396.99\n+00012560: 2c2d 3732 342e 3635 2033 3334 312e 3931 ,-724.65 3341.91\n+00012570: 2c2d 3738 322e 3737 2033 3330 352c 2d37 ,-782.77 3305,-7\n+00012580: 3334 2e34 3420 3332 3933 2e35 372c 2d37 34.44 3293.57,-7\n+00012590: 3139 2e34 3820 3332 3936 2e38 352c 2d36 19.48 3296.85,-6\n+000125a0: 3937 2e36 3220 3333 3031 2e39 332c 2d36 97.62 3301.93,-6\n+000125b0: 3831 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 81.3\"/>.<polygon\n+000125c0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+000125d0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+000125e0: 2070 6f69 6e74 733d 2233 3330 352e 3336 points=\"3305.36\n+000125f0: 2c2d 3638 322e 3120 3333 3035 2e33 392c ,-682.1 3305.39,\n+00012600: 2d36 3731 2e35 2033 3239 382e 3736 2c2d -671.5 3298.76,-\n+00012610: 3637 392e 3736 2033 3330 352e 3336 2c2d 679.76 3305.36,-\n+00012620: 3638 322e 3122 2f3e 0a3c 2f67 3e0a 3c21 682.1\"/>.</g>.<!\n+00012630: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012640: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00012650: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00012660: 726f 6d61 6373 5f65 7761 6c64 202d 2d3e romacs_ewald -->\n+00012670: 0a3c 6720 6964 3d22 6564 6765 3132 3022 .<g id=\"edge120\"\n+00012680: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00012690: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000126a0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+000126b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000126c0: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n+000126d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000126e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000126f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00012700: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00012710: 2220 643d 224d 3238 3439 2e39 332c 2d31 \" d=\"M2849.93,-1\n+00012720: 3334 382e 3636 4332 3634 332e 392c 2d31 348.66C2643.9,-1\n+00012730: 3334 382e 3236 2031 3332 362e 3737 2c2d 348.26 1326.77,-\n+00012740: 3133 3433 2e39 3320 3131 3536 2c2d 3133 1343.93 1156,-13\n+00012750: 3030 2e32 3720 3130 3337 2e30 342c 2d31 00.27 1037.04,-1\n+00012760: 3236 392e 3835 2031 3031 302e 3539 2c2d 269.85 1010.59,-\n+00012770: 3132 3434 2e39 3520 3931 302c 2d31 3137 1244.95 910,-117\n+00012780: 342e 3533 2038 3836 2e32 312c 2d31 3135 4.53 886.21,-115\n+00012790: 372e 3838 2038 3632 2e32 362c 2d31 3133 7.88 862.26,-113\n+000127a0: 342e 3631 2038 3436 2e36 342c 2d31 3131 4.61 846.64,-111\n+000127b0: 382e 3337 222f 3e0a 3c70 6f6c 7967 6f6e 8.37\"/>.<polygon\n+000127c0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+000127d0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+000127e0: 2070 6f69 6e74 733d 2238 3439 2e30 392c points=\"849.09,\n+000127f0: 2d31 3131 352e 3837 2038 3339 2e36 382c -1115.87 839.68,\n+00012800: 2d31 3131 312e 3031 2038 3434 2e30 312c -1111.01 844.01,\n+00012810: 2d31 3132 302e 3638 2038 3439 2e30 392c -1120.68 849.09,\n+00012820: 2d31 3131 352e 3837 222f 3e0a 3c2f 673e -1115.87\"/>.</g>\n+00012830: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00012840: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+00012850: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012860: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00012870: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+00012880: 6531 3134 2220 636c 6173 733d 2265 6467 e114\" class=\"edg\n+00012890: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000128a0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+000128b0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+000128c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000128d0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+000128e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000128f0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00012900: 2220 643d 224d 3238 3439 2e37 322c 2d31 \" d=\"M2849.72,-1\n+00012910: 3334 382e 3437 4332 3536 332e 3434 2c2d 348.47C2563.44,-\n+00012920: 3133 3435 2e39 3720 3131 392e 3637 2c2d 1345.97 119.67,-\n+00012930: 3133 3233 2e39 3520 3932 2c2d 3133 3030 1323.95 92,-1300\n+00012940: 2e32 3720 3537 2e35 352c 2d31 3237 302e .27 57.55,-1270.\n+00012950: 3738 2035 372c 2d31 3134 342e 3537 2035 78 57,-1144.57 5\n+00012960: 372c 2d31 3039 392e 3233 2035 372c 2d31 7,-1099.23 57,-1\n+00012970: 3039 392e 3233 2035 372c 2d31 3039 392e 099.23 57,-1099.\n+00012980: 3233 2035 372c 2d39 3731 2e34 3920 3537 23 57,-971.49 57\n+00012990: 2c2d 3838 382e 3037 2037 372c 2d38 3638 ,-888.07 77,-868\n+000129a0: 2e32 3920 3737 2c2d 3738 342e 3838 2037 .29 77,-784.88 7\n+000129b0: 372c 2d37 3834 2e38 3820 3737 2c2d 3738 7,-784.88 77,-78\n+000129c0: 342e 3838 2037 372c 2d35 3934 2e32 3720 4.88 77,-594.27 \n+000129d0: 3737 2c2d 3530 372e 3534 2031 3437 382e 77,-507.54 1478.\n+000129e0: 3435 2c2d 3437 362e 3639 2031 3735 382e 45,-476.69 1758.\n+000129f0: 362c 2d34 3731 2e33 3922 2f3e 0a3c 706f 6,-471.39\"/>..\n+00012a70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+00012ae0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00012af0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00012b00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012b10: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00012b20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00012b30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00012b40: 2220 643d 224d 3238 3439 2e38 332c 2d31 \" d=\"M2849.83,-1\n+00012b50: 3334 382e 3635 4332 3637 362e 3637 2c2d 348.65C2676.67,-\n+00012b60: 3133 3438 2e31 3720 3137 3235 2e31 392c 1348.17 1725.19,\n+00012b70: 2d31 3334 332e 3534 2031 3433 382c 2d31 -1343.54 1438,-1\n+00012b80: 3330 302e 3237 2031 3331 312e 3834 2c2d 300.27 1311.84,-\n+00012b90: 3132 3831 2e32 3620 3131 3631 2c2d 3133 1281.26 1161,-13\n+00012ba0: 3532 2e35 3520 3131 3631 2c2d 3132 3234 52.55 1161,-1224\n+00012bb0: 2e39 3720 3131 3631 2c2d 3132 3234 2e39 .97 1161,-1224.9\n+00012bc0: 3720 3131 3631 2c2d 3132 3234 2e39 3720 7 1161,-1224.97 \n+00012bd0: 3131 3631 2c2d 3131 3630 2e31 2031 3136 1161,-1160.1 116\n+00012be0: 312c 2d31 3131 342e 3937 2031 3230 302e 1,-1114.97 1200.\n+00012bf0: 352c 2d31 3037 352e 3035 2031 3232 362e 5,-1075.05 1226.\n+00012c00: 3837 2c2d 3130 3533 2e34 3322 2f3e 0a3c 87,-1053.43\"/>.<\n+00012c10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00012c20: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00012c30: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00012c40: 3132 3239 2e32 332c 2d31 3035 362e 3032 1229.23,-1056.02\n+00012c50: 2031 3233 342e 392c 2d31 3034 372e 3037 1234.9,-1047.07\n+00012c60: 2031 3232 342e 3839 2c2d 3130 3530 2e35 1224.89,-1050.5\n+00012c70: 3320 3132 3239 2e32 332c 2d31 3035 362e 3 1229.23,-1056.\n+00012c80: 3032 222f 3e0a 3c2f 673e 0a3c 212d 2d20 02\"/>...<\n+00012f20: 6720 6964 3d22 6564 6765 3131 3622 2063 g id=\"edge116\" c\n+00012f30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00012f50: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00012f60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012f70: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+00012f80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00013150: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+000131c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000131d0: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+000131e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000131f0: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n+00013200: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00013210: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+00013220: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n+00013230: 7261 793d 2235 2c32 2220 643d 224d 3239 ray=\"5,2\" d=\"M29\n+00013240: 3034 2e30 362c 2d31 3334 382e 3636 4333 04.06,-1348.66C3\n+00013250: 3038 372e 3939 2c2d 3133 3438 2e30 3620 087.99,-1348.06 \n+00013260: 3431 3530 2e31 392c 2d31 3334 302e 3137 4150.19,-1340.17\n+00013270: 2034 3234 342c 2d31 3233 372e 3420 3433 4244,-1237.4 43\n+00013280: 3031 2e33 362c 2d31 3137 342e 3536 2034 01.36,-1174.56 4\n+00013290: 3233 362e 3538 2c2d 3131 3130 2e31 3920 236.58,-1110.19 \n+000132a0: 3431 3536 2c2d 3833 332e 3331 2034 3134 4156,-833.31 414\n+000132b0: 372e 3834 2c2d 3830 352e 3238 2034 3134 7.84,-805.28 414\n+000132c0: 392e 342c 2d37 3936 2e38 3720 3431 3337 9.4,-796.87 4137\n+000132d0: 2c2d 3737 302e 3434 2034 3133 322e 3437 ,-770.44 4132.47\n+000132e0: 2c2d 3736 302e 3739 2034 3132 362e 3233 ,-760.79 4126.23\n+000132f0: 2c2d 3735 302e 3835 2034 3132 302e 3435 ,-750.85 4120.45\n+00013300: 2c2d 3734 322e 3522 2f3e 0a3c 706f 6c79 ,-742.5\"/>.<poly\n+00013310: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n+00013320: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00013330: 706f 696e 7473 3d22 3431 3233 2e31 352c points=\"4123.15,\n+00013340: 2d37 3430 2e32 3520 3431 3134 2e34 382c -740.25 4114.48,\n+00013350: 2d37 3334 2e31 3620 3431 3137 2e34 352c -734.16 4117.45,\n+00013360: 2d37 3434 2e33 3320 3431 3233 2e31 352c -744.33 4123.15,\n+00013370: 2d37 3430 2e32 3522 2f3e 0a3c 2f67 3e0a -740.25\"/>.</g>.\n+00013380: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00013390: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+000133a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000133b0: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n+000133c0: 6f6e 202d 2d3e 0a3c 6720 6964 3d22 6564 on -->.<g id=\"ed\n+000133d0: 6765 3132 3522 2063 6c61 7373 3d22 6564 ge125\" class=\"ed\n+000133e0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000133f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00013400: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00013410: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013420: 7365 6c65 6374 696f 6e3c 2f74 6974 6c65 selection</title\n+00013430: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00013440: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+00013450: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n+00013460: 7261 793d 2235 2c32 2220 643d 224d 3239 ray=\"5,2\" d=\"M29\n+00013470: 3033 2e38 382c 2d31 3334 382e 3332 4333 03.88,-1348.32C3\n+00013480: 3037 362e 3739 2c2d 3133 3435 2e37 3420 076.79,-1345.74 \n+00013490: 3430 3239 2e34 2c2d 3133 3330 2e32 3320 4029.4,-1330.23 \n+000134a0: 3431 3535 2c2d 3133 3030 2e32 3720 3432 4155,-1300.27 42\n+000134b0: 3333 2e30 322c 2d31 3238 312e 3636 2034 33.02,-1281.66 4\n+000134c0: 3331 392c 2d31 3330 352e 3137 2034 3331 319,-1305.17 431\n+000134d0: 392c 2d31 3232 342e 3937 2034 3331 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3843\n+000135c0: 2e34 372c 2d36 3536 2e37 3322 2f3e 0a3c .47,-656.73\"/>.<\n+000135d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000135e0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+000135f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00013600: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00013610: 7465 645f 666f 7263 6573 202d 2d3e 0a3c ted_forces -->.<\n+00013620: 6720 6964 3d22 6564 6765 3131 3822 2063 g id=\"edge118\" c\n+00013630: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00013640: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00013650: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00013660: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00013670: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00013680: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces..<\n+00013740: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00013750: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00013760: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00013770: 3137 3633 2e37 312c 2d38 3730 2e39 3520 1763.71,-870.95 \n+00013780: 3137 3633 2e30 392c 2d38 3630 2e33 3820 1763.09,-860.38 \n+00013790: 3137 3536 2e39 382c 2d38 3639 2e30 3320 1756.98,-869.03 \n+000137a0: 3137 3633 2e37 312c 2d38 3730 2e39 3522 1763.71,-870.95\"\n+000137b0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_grom\n+00013830: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+00013840: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00013850: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio......mod\n+00013a40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013a50: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00013a60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00013a70: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n+00013a80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+00013c70: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00013c80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013c90: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil.\n+00013e40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n+00013f30: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00013f40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013f50: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib.....<\n+000140e0: 6720 6964 3d22 6564 6765 3133 3022 2063 g id=\"edge130\" c\n+000140f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00014110: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00014120: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014130: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing....\n+00014330: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+00014380: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014390: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+000143a0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...<\n+00014470: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00014480: 3d22 6d69 6464 6c65 2220 783d 2234 3537 =\"middle\" x=\"457\n+00014490: 2220 793d 222d 3131 3538 2e36 2220 666f \" y=\"-1158.6\" fo\n+000144a0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+000144b0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+000144c0: 3130 2e30 3022 3e74 6173 6b61 7373 6967 10.00\">taskassig\n+000144d0: 6e6d 656e 743c 2f74 6578 743e 0a3c 2f61 nment......mod\n+00014560: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014570: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00014580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014590: 5f74 6173 6b61 7373 6967 6e6d 656e 743c _taskassignment<\n+000145a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000145b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000145c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000145d0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000145e0: 2220 643d 224d 3238 3439 2e39 332c 2d31 \" d=\"M2849.93,-1\n+000145f0: 3334 382e 3439 4332 3539 332e 3831 2c2d 348.49C2593.81,-\n+00014600: 3133 3436 2e33 3620 3630 352e 3139 2c2d 1346.36 605.19,-\n+00014610: 3133 3238 2e39 3620 3535 322c 2d31 3330 1328.96 552,-130\n+00014620: 302e 3237 2035 3035 2e35 332c 2d31 3237 0.27 505.53,-127\n+00014630: 352e 3231 2034 3737 2e32 322c 2d31 3231 5.21 477.22,-121\n+00014640: 362e 3320 3436 342e 3637 2c2d 3131 3834 6.3 464.67,-1184\n+00014650: 2e30 3922 2f3e 0a3c 706f 6c79 676f 6e20 .09\"/>.<polygon \n+00014660: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00014670: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00014680: 706f 696e 7473 3d22 3436 372e 3932 2c2d points=\"467.92,-\n+00014690: 3131 3832 2e37 3920 3436 312e 3134 2c2d 1182.79 461.14,-\n+000146a0: 3131 3734 2e36 3420 3436 312e 3336 2c2d 1174.64 461.36,-\n+000146b0: 3131 3835 2e32 3420 3436 372e 3932 2c2d 1185.24 467.92,-\n+000146c0: 3131 3832 2e37 3922 2f3e 0a3c 2f67 3e0a 1182.79\"/>.</g>.\n+000146d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+000146e0: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+000146f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014700: 5f67 726f 6d61 6373 5f6d 6472 756e 202d _gromacs_mdrun -\n+00014710: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.<g id=\"edge12\n+00014720: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+00014730: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00014740: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+00014750: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014760: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00014770: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n.....\n-000148c0: 3c67 2069 643d 2265 6467 6531 3235 2220 .\n+000148c0: 3c67 2069 643d 2265 6467 6531 3137 2220 .module_src_\n-000148f0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00014900: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-00014910: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00014920: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes..\n-00014a90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-00014ae0: 6720 6964 3d22 6564 6765 3132 3322 2063 g id=\"edge123\" c\n-00014af0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00014b10: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n-00014b20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00014b30: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n-00014b40: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity.....\n-00014d80: 3c67 2069 643d 2265 6467 6531 3238 2220 .module_src_\n-00014db0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00014dc0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-00014dd0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-00014de0: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util.....\n-000150f0: 3c67 2069 643d 2265 6467 6531 3234 2220 .module_src_\n-00015120: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-00015130: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-00015140: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n-00015150: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h....\n-000152d0: 0a3c 6720 6964 3d22 6564 6765 3133 3322 ..<\n-000152f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00015300: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00015310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00015320: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-00015330: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils......module_\n-000154c0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-000154d0: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n-000154e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-000154f0: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n-00015500: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-00015610: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-00015680: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00015690: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n-000156a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000156b0: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n-000156c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module\n-00015a30: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00015a40: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-00015a50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015a60: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n-00015a70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-00015bc0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00015bd0: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n-00015be0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015bf0: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math.....\n-00015d50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00015d60: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n-00015d70: 7374 6963 733c 2f74 6974 6c65 3e0a 3c65 stics..stat\n-00015e30: 6973 7469 6373 3c2f 7465 7874 3e0a 3c2f istics....module_src_gro\n-00015ec0: 6d61 6373 5f73 7461 7469 7374 6963 7326 macs_statistics&\n-00015ed0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015ee0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-00015ef0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty..\n-00015f90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n-00016000: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-00016070: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00016080: 6373 5f73 7461 7469 7374 6963 7326 2334 cs_statistics\n-00016090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000160a0: 5f67 726f 6d61 6373 5f6d 6174 683c 2f74 _gromacs_math</t\n-000160b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000160c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000160d0: 2362 6662 6662 6622 2064 3d22 4d34 3132 #bfbfbf\" d=\"M412\n-000160e0: 342e 3635 2c2d 3237 382e 3836 4333 3834 4.65,-278.86C384\n-000160f0: 382e 3333 2c2d 3237 312e 3434 2032 3230 8.33,-271.44 220\n-00016100: 322e 3335 2c2d 3232 372e 3234 2031 3933 2.35,-227.24 193\n-00016110: 332e 3938 2c2d 3232 302e 3034 222f 3e0a 3.98,-220.04\"/>.\n-00016120: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00016130: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-00016140: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-00016150: 2231 3933 342e 3036 2c2d 3231 362e 3534 \"1934.06,-216.54\n-00016160: 2031 3932 332e 3937 2c2d 3231 392e 3737 1923.97,-219.77\n-00016170: 2031 3933 332e 3837 2c2d 3232 332e 3534 1933.87,-223.54\n-00016180: 2031 3933 342e 3036 2c2d 3231 362e 3534 1934.06,-216.54\n-00016190: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-000161a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000161b0: 5f74 7261 6a65 6374 6f72 7926 2334 353b _trajectory-\n-000161c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000161d0: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n-000161e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000161f0: 3339 2220 636c 6173 733d 2265 6467 6522 39\" class=\"edge\"\n-00016200: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00016210: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00016220: 6563 746f 7279 2623 3435 3b26 6774 3b6d ectory->m\n-00016230: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016240: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n-00016250: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00016260: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00016270: 6266 6266 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3b6d ectory->m\n-00016360: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016370: 735f 7574 696c 6974 7920 2d2d 3e0a 3c67 s_utility -->.<g\n-00016380: 2069 643d 2265 6467 6531 3337 2220 636c id=\"edge137\" cl\n-00016390: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-000163a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-000163b0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-000163c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000163d0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n-000163e0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity.....\n-00016580: 3c67 2069 643d 2265 6467 6531 3338 2220 .module_src_\n-000165b0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-000165c0: 7279 2623 3435 3b26 6774 3b6d 6f64 756c ry->modul\n-000165d0: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n-000165e0: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th...<\n-00016720: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-00016790: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000167a0: 735f 7469 6d69 6e67 2623 3435 3b26 6774 s_timing->\n-000167b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000167c0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n-000167d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000167e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-000167f0: 6422 2064 3d22 4d36 3636 2e39 392c 2d34 d\" d=\"M666.99,-4\n-00016800: 3039 2e32 4338 3137 2e39 372c 2d34 3137 09.2C817.97,-417\n-00016810: 2e33 3220 3134 3933 2e38 372c 2d34 3535 .32 1493.87,-455\n-00016820: 2e30 3520 3136 3739 2e36 362c 2d34 3635 .05 1679.66,-465\n-00016830: 2e37 3122 2f3e 0a3c 706f 6c79 676f 6e20 .71\"/>.<polygon \n-00016840: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n-00016850: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n-00016860: 3136 3739 2e34 382c 2d34 3639 2e32 3120 1679.48,-469.21 \n-00016870: 3136 3839 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;>module_src_\n-00016b30: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n-00016b40: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00016b50: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n-00016b60: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n-00016b70: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00016b80: 4d36 3438 2e33 372c 2d33 3933 2e38 3643 M648.37,-393.86C\n-00016b90: 3637 362e 342c 2d33 3635 2e37 2037 3532 676.4,-365.7 752\n-00016ba0: 2e33 342c 2d32 3934 2e38 3520 3833 322c .34,-294.85 832,\n-00016bb0: 2d32 3637 2e34 3820 3933 302e 3734 2c2d -267.48 930.74,-\n-00016bc0: 3233 332e 3535 2031 3638 322e 382c 2d32 233.55 1682.8,-2\n-00016bd0: 3231 2e38 3120 3138 3539 2e37 382c 2d32 21.81 1859.78,-2\n-00016be0: 3139 2e35 222f 3e0a 3c70 6f6c 7967 6f6e 19.5\"/>.<polygon\n-00016bf0: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n-00016c00: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n-00016c10: 6e74 733d 2231 3835 392e 3935 2c2d 3232 nts=\"1859.95,-22\n-00016c20: 322e 3939 2031 3836 392e 392c 2d32 3139 2.99 1869.9,-219\n-00016c30: 2e33 3720 3138 3539 2e38 362c 2d32 3135 .37 1859.86,-215\n-00016c40: 2e39 3920 3138 3539 2e39 352c 2d32 3232 .99 1859.95,-222\n-00016c50: 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .99\"/>.</g>.<!--\n-00016c60: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00016c70: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-00016c80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00016c90: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a macs_gmxlib -->.\n-00016ca0: 3c67 2069 643d 2265 6467 6531 3437 2220 <g id=\"edge147\" \n-00016cb0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00016cc0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00016cd0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-00016ce0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00016cf0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n-00016d00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00016d10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00016d20: 3d22 2362 6662 6662 6622 2064 3d22 4d38 =\"#bfbfbf\" d=\"M8\n-00016d30: 3339 2e39 372c 2d39 3035 2e35 4331 3030 39.97,-905.5C100\n-00016d40: 372e 3633 2c2d 3838 382e 3620 3138 3036 7.63,-888.6 1806\n-00016d50: 2e30 382c 2d38 3038 2e31 3520 3139 3936 .08,-808.15 1996\n-00016d60: 2e32 372c 2d37 3838 2e39 3822 2f3e 0a3c .27,-788.98\"/>.<\n-00016d70: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00016d80: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00016d90: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00016da0: 3139 3936 2e37 392c 2d37 3932 2e34 3420 1996.79,-792.44 \n-00016db0: 3230 3036 2e33 392c 2d37 3837 2e39 3620 2006.39,-787.96 \n-00016dc0: 3139 3936 2e30 392c 2d37 3835 2e34 3820 1996.09,-785.48 \n-00016dd0: 3139 3936 2e37 392c 2d37 3932 2e34 3422 1996.79,-792.44\"\n-00016de0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00016df0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016e00: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-00016e10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00016e20: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n-00016e30: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135 ->.<g id=\"edge15\n-00016e40: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n-00016e50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00016e60: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-00016e70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00016e80: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00016e90: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n-00016ea0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00016eb0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00016ec0: 6663 6322 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626e 786d rc_gromacs_nbnxm\n-00016fb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00016fc0: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-00016fd0: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n-00016fe0: 2265 6467 6531 3532 2220 636c 6173 733d \"edge152\" class=\n-00016ff0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00017000: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00017010: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-00017020: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00017030: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00017040: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00017050: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00017060: 6266 6266 6266 2220 643d 224d 3831 322e bfbfbf\" d=\"M812.\n-00017070: 3336 2c2d 3839 352e 3939 4338 3139 2e37 36,-895.99C819.7\n-00017080: 2c2d 3837 302e 3136 2038 3339 2e32 322c ,-870.16 839.22,\n-00017090: 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222f 208.54,-366.71\"/\n-00017180: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00017190: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-000171a0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-000171b0: 733d 2231 3231 312e 3839 2c2d 3336 372e s=\"1211.89,-367.\n-000171c0: 3736 2031 3231 322e 3234 2c2d 3335 372e 76 1212.24,-357.\n-000171d0: 3137 2031 3230 352e 3336 2c2d 3336 352e 17 1205.36,-365.\n-000171e0: 3233 2031 3231 312e 3839 2c2d 3336 372e 23 1211.89,-367.\n-000171f0: 3736 222f 3e0a 3c2f 673e 0a3c 212d 2d20 76\"/>.</g>.<!-- \n-00017200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00017210: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-00017220: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00017230: 6163 735f 746f 706f 6c6f 6779 202d 2d3e acs_topology -->\n-00017240: 0a3c 6720 6964 3d22 6564 6765 3135 3122 .<g id=\"edge151\"\n-00017250: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00017260: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017270: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n-00017280: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00017290: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-000172a0: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy...\n-00017510: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00017580: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-00017590: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n-000175a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000175b0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-000175c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000175d0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-000175e0: 224d 3832 392e 3938 2c2d 3839 392e 3235 \"M829.98,-899.25\n-000175f0: 4338 3639 2e30 312c 2d38 3831 2e34 3720 C869.01,-881.47 \n-00017600: 3935 342e 3932 2c2d 3834 302e 3732 2031 954.92,-840.72 1\n-00017610: 3032 322c 2d37 3937 2e33 3120 3130 3331 022,-797.31 1031\n-00017620: 2e34 392c 2d37 3931 2e31 3720 3130 3934 .49,-791.17 1094\n-00017630: 2e31 312c 2d37 3432 2e35 3420 3131 3032 .11,-742.54 1102\n-00017640: 2c2d 3733 342e 3434 2031 3131 322e 3339 ,-734.44 1112.39\n-00017650: 2c2d 3732 332e 3738 2031 3130 392e 3633 ,-723.78 1109.63\n-00017660: 2c2d 3731 352e 3835 2031 3132 322c 2d37 ,-715.85 1122,-7\n-00017670: 3037 2e35 3720 3131 3736 2e31 312c 2d36 07.57 1176.11,-6\n-00017680: 3731 2e33 3720 3132 3037 2e30 332c 2d37 71.37 1207.03,-7\n-00017690: 3033 2e30 3820 3132 3634 2c2d 3637 312e 03.08 1264,-671.\n-000176a0: 3537 2031 3331 342e 3534 2c2d 3634 332e 57 1314.54,-643.\n-000176b0: 3631 2031 3331 312e 3538 2c2d 3631 362e 61 1311.58,-616.\n-000176c0: 3220 3133 3538 2c2d 3538 312e 3833 2031 2 1358,-581.83 1\n-000176d0: 3338 342e 3233 2c2d 3536 322e 3431 2031 384.23,-562.41 1\n-000176e0: 3339 342e 3231 2c2d 3536 322e 3934 2031 394.21,-562.94 1\n-000176f0: 3432 322c 2d35 3435 2e38 3320 3134 3430 422,-545.83 1440\n-00017700: 2e32 342c 2d35 3334 2e36 2031 3434 322e .24,-534.6 1442.\n-00017710: 3136 2c2d 3532 372e 3033 2031 3436 322c 16,-527.03 1462,\n-00017720: 2d35 3138 2e39 3620 3135 3334 2e34 352c -518.96 1534.45,\n-00017730: 2d34 3839 2e35 3120 3136 3235 2e33 322c -489.51 1625.32,\n-00017740: 2d34 3737 2e38 3620 3136 3739 2e36 332c -477.86 1679.63,\n-00017750: 2d34 3733 2e33 3322 2f3e 0a3c 706f 6c79 -473.33\"/>....\n-00017810: 3c67 2069 643d 2265 6467 6531 3534 2220 .module_src_\n-00017840: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-00017850: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017860: 5f67 726f 6d61 6373 5f74 696d 696e 673c _gromacs_timing<\n-00017870: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n-000179f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00017a60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017a70: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n-00017a80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00017a90: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-00017aa0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-00017c10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-00017c80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-00017c90: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-00017ca0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017cb0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-00017cc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-00017d50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n-00017e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-00017e40: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-00017e50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017e60: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-00017e70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n-00018000: 6720 6964 3d22 6564 6765 3135 3022 2063 g id=\"edge150\" 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735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-000191c0: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-000191d0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-000191e0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-000191f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00019200: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00019210: 2220 643d 224d 3132 3231 2e37 322c 2d37 \" d=\"M1221.72,-7\n-00019220: 3134 2e33 3343 3131 3338 2e37 352c 2d37 14.33C1138.75,-7\n-00019230: 3032 2e39 3320 3935 322e 332c 2d36 3737 02.93 952.3,-677\n-00019240: 2e33 3120 3836 352e 3735 2c2d 3636 352e .31 865.75,-665.\n-00019250: 3432 222f 3e0a 3c70 6f6c 7967 6f6e 2066 42\"/>.....m\n-00019340: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00019350: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-00019360: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019370: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00019380: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......m\n-00019520: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00019530: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-00019540: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019550: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-00019560: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gro\n-00019760: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-00019770: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-00019780: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00019790: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio.\n-00019830: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-00019920: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00019930: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-00019940: 655f 7372 635f 7465 7374 7574 696c 733c e_src_testutils<\n-00019950: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gr\n-00019bb0: 6f6d 6163 735f 636f 6d70 6174 2623 3435 omacs_compat-\n-00019bc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00019bd0: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n-00019be0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...<\n-00019cb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n-00019d20: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n-00019d30: 6174 2623 3435 3b26 6774 3b6d 6f64 756c at->modul\n-00019d40: 655f 7372 635f 7465 7374 7574 696c 733c e_src_testutils<\n-00019d50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00019d60: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00019d70: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-00019d80: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00019d90: 2220 643d 224d 3135 312e 3734 2c2d 3330 \" d=\"M151.74,-30\n-00019da0: 2e35 3543 3531 352e 3133 2c2d 3331 2e38 .55C515.13,-31.8\n-00019db0: 3220 3336 3135 2e31 332c 2d34 332e 3636 2 3615.13,-43.66\n-00019dc0: 2034 3032 322c 2d37 382e 3837 2034 3139 4022,-78.87 419\n-00019dd0: 362e 3438 2c2d 3933 2e39 3720 3432 3432 6.48,-93.97 4242\n-00019de0: 2e37 332c 2d39 332e 3138 2034 3431 312c .73,-93.18 4411,\n-00019df0: 2d31 3431 2e37 3420 3437 3534 2e33 322c -141.74 4754.32,\n-00019e00: 2d32 3430 2e38 3220 3439 3432 2e31 352c -240.82 4942.15,\n-00019e10: 2d31 3636 2e31 3520 3531 3531 2c2d 3435 -166.15 5151,-45\n-00019e20: 362e 3039 2035 3139 312e 352c 2d35 3132 6.09 5191.5,-512\n-00019e30: 2e33 3220 3531 3534 2e36 322c 2d35 3439 .32 5154.62,-549\n-00019e40: 2e32 3520 3531 3139 2c2d 3630 382e 3720 .25 5119,-608.7 \n-00019e50: 3530 3431 2e39 372c 2d37 3337 2e32 3520 5041.97,-737.25 \n-00019e60: 3437 3637 2e31 332c 2d31 3133 332e 3336 4767.13,-1133.36\n-00019e70: 2034 3837 352c 2d31 3233 372e 3420 3439 4875,-1237.4 49\n-00019e80: 3138 2e30 362c 2d31 3237 382e 3933 2035 18.06,-1278.93 5\n-00019e90: 3333 352e 3138 2c2d 3132 3834 2e38 3920 335.18,-1284.89 \n-00019ea0: 3534 3735 2e39 2c2d 3132 3835 2e37 3122 5475.9,-1285.71\"\n-00019eb0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00019ec0: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-00019ed0: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n-00019ee0: 7473 3d22 3534 3735 2e39 322c 2d31 3238 ts=\"5475.92,-128\n-00019ef0: 392e 3231 2035 3438 352e 3934 2c2d 3132 9.21 5485.94,-12\n-00019f00: 3835 2e37 3720 3534 3735 2e39 362c 2d31 85.77 5475.96,-1\n-00019f10: 3238 322e 3231 2035 3437 352e 3932 2c2d 282.21 5475.92,-\n-00019f20: 3132 3839 2e32 3122 2f3e 0a3c 2f67 3e0a 1289.21\"/>.</g>.\n-00019f30: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00019f40: 6772 6f6d 6163 735f 7261 6e64 6f6d 2623 gromacs_random&#\n-00019f50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019f60: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-00019f70: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n-00019f80: 6531 3638 2220 636c 6173 733d 2265 6467 e168\" class=\"edg\n-00019f90: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00019fa0: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n-00019fb0: 6e64 6f6d 2623 3435 3b26 6774 3b6d 6f64 ndom->mod\n-00019fc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019fd0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-00019fe0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n-0001a1d0: 6163 735f 7261 6e64 6f6d 2623 3435 3b26 acs_random-&\n-0001a1e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001a1f0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math..\n-0001a3b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-0001a420: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n-0001a430: 6e64 6f6d 2623 3435 3b26 6774 3b6d 6f64 ndom->mod\n-0001a440: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n-0001a450: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...<\n-0001a5e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-0001a860: 0a3c 6720 6964 3d22 6564 6765 3137 3922 ..<\n-0001a880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001a890: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-0001a8a0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-0001a8b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001a8c0: 6d61 6373 5f6d 6472 756e 3c2f 7469 746c macs_mdrun...\n-0001a9e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+00014b10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014b20: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+00014b30: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n+00014b40: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......mod\n+00014c90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014ca0: 7369 6d64 2623 3435 3b26 6774 3b6d 6f64 simd->mod\n+00014cb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014cc0: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math....\n+00014e20: 0a3c 6720 6964 3d22 6564 6765 3133 3222 ..<\n+00014e40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014e50: 5f67 726f 6d61 6373 5f73 696d 6426 2334 _gromacs_simd\n+00014e60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014e70: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+00014e80: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..\n+00014fd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00015040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015050: 735f 7369 6d64 2623 3435 3b26 6774 3b6d s_simd->m\n+00015060: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015070: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n+00015080: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00015090: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+000150a0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+000150b0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000150c0: 3135 3037 2e39 342c 2d33 3435 2e34 3343 1507.94,-345.43C\n+000150d0: 3134 3130 2e36 352c 2d33 3438 2e30 3120 1410.65,-348.01 \n+000150e0: 3130 3832 2e37 382c 2d33 3539 2e32 2031 1082.78,-359.2 1\n+000150f0: 3035 322c 2d33 3933 2e32 3220 3130 3433 052,-393.22 1043\n+00015100: 2e39 392c 2d34 3032 2e30 3820 3130 3433 .99,-402.08 1043\n+00015110: 2e39 342c 2d34 3131 2e32 3820 3130 3532 .94,-411.28 1052\n+00015120: 2c2d 3432 302e 3039 2031 3138 382e 3137 ,-420.09 1188.17\n+00015130: 2c2d 3536 382e 3839 2032 3636 312e 3533 ,-568.89 2661.53\n+00015140: 2c2d 3533 3620 3238 3633 2c2d 3534 352e ,-536 2863,-545.\n+00015150: 3833 2033 3235 362e 3633 2c2d 3536 352e 83 3256.63,-565.\n+00015160: 3034 2033 3335 352e 3537 2c2d 3535 382e 04 3355.57,-558.\n+00015170: 3834 2033 3734 392c 2d35 3831 2e38 3320 84 3749,-581.83 \n+00015180: 3337 3839 2e37 382c 2d35 3834 2e32 3120 3789.78,-584.21 \n+00015190: 3338 3336 2e32 322c 2d35 3837 2e38 3520 3836.22,-587.85 \n+000151a0: 3338 3639 2e30 382c 2d35 3930 2e35 3722 3869.08,-590.57\"\n+000151b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000151c0: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+000151d0: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n+000151e0: 7473 3d22 3338 3638 2e39 382c 2d35 3934 ts=\"3868.98,-594\n+000151f0: 2e30 3820 3338 3739 2e32 342c 2d35 3931 .08 3879.24,-591\n+00015200: 2e34 3220 3338 3639 2e35 372c 2d35 3837 .42 3869.57,-587\n+00015210: 2e31 2033 3836 382e 3938 2c2d 3539 342e .1 3868.98,-594.\n+00015220: 3038 222f 3e0a 3c2f 673e 0a3c 212d 2d20 08\"/>.</g>.<!-- \n+00015230: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015240: 6373 5f73 696d 6426 2334 353b 2667 743b cs_simd->\n+00015250: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015260: 6373 5f75 7469 6c69 7479 202d 2d3e 0a3c cs_utility -->.<\n+00015270: 6720 6964 3d22 6564 6765 3133 3322 2063 g id=\"edge133\" c\n+00015280: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00015290: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000152a0: 726f 6d61 6373 5f73 696d 6426 2334 353b romacs_simd-\n+000152b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000152c0: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility</\n+000152d0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000152e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000152f0: 2223 3238 3266 6363 2220 643d 224d 3135 \"#282fcc\" d=\"M15\n+00015300: 3334 2e33 342c 2d33 3330 2e32 4331 3533 34.34,-330.2C153\n+00015310: 332e 3232 2c2d 3239 332e 3931 2031 3533 3.22,-293.91 153\n+00015320: 352e 3531 2c2d 3138 382e 3734 2031 3539 5.51,-188.74 159\n+00015330: 362c 2d31 3431 2e37 3420 3136 3337 2e39 6,-141.74 1637.9\n+00015340: 2c2d 3130 392e 3139 2032 3434 392e 3238 ,-109.19 2449.28\n+00015350: 2c2d 3936 2e33 3320 3236 3336 2e36 332c ,-96.33 2636.63,\n+00015360: 2d39 332e 3739 222f 3e0a 3c70 6f6c 7967 -93.79\"/>.<polyg\n+00015370: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00015380: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00015390: 6322 2070 6f69 6e74 733d 2232 3633 362e c\" points=\"2636.\n+000153a0: 3837 2c2d 3937 2e32 3920 3236 3436 2e38 87,-97.29 2646.8\n+000153b0: 332c 2d39 332e 3636 2032 3633 362e 3738 3,-93.66 2636.78\n+000153c0: 2c2d 3930 2e32 3920 3236 3336 2e38 372c ,-90.29 2636.87,\n+000153d0: 2d39 372e 3239 222f 3e0a 3c2f 673e 0a3c -97.29\"/>.</g>.<\n+000153e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000153f0: 726f 6d61 6373 5f73 696d 6426 2334 353b romacs_simd-\n+00015400: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+00015410: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720 estutils -->.<g \n+00015420: 6964 3d22 6564 6765 3133 3522 2063 6c61 id=\"edge135\" cla\n+00015430: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00015440: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00015450: 6d61 6373 5f73 696d 6426 2334 353b 2667 macs_simd-&g\n+00015460: 743b 6d6f 6475 6c65 5f73 7263 5f74 6573 t;module_src_tes\n+00015470: 7475 7469 6c73 3c2f 7469 746c 653e 0a3c tutils.<\n+00015480: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00015490: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+000154a0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000154b0: 6179 3d22 352c 3222 2064 3d22 4d31 3536 ay=\"5,2\" d=\"M156\n+000154c0: 322e 3137 2c2d 3334 352e 3035 4331 3838 2.17,-345.05C188\n+000154d0: 342e 3933 2c2d 3334 382e 3236 2034 3937 4.93,-348.26 497\n+000154e0: 372e 3133 2c2d 3338 322e 3631 2035 3130 7.13,-382.61 510\n+000154f0: 372c 2d35 3138 2e39 3620 3531 3639 2e37 7,-518.96 5169.7\n+00015500: 342c 2d35 3834 2e38 3320 3439 3833 2e33 4,-584.83 4983.3\n+00015510: 332c 2d38 3132 2e33 3520 3439 3438 2c2d 3,-812.35 4948,-\n+00015520: 3839 362e 3138 2034 3930 312e 3432 2c2d 896.18 4901.42,-\n+00015530: 3130 3036 2e37 3220 3438 3835 2e37 382c 1006.72 4885.78,\n+00015540: 2d31 3033 332e 3137 2034 3835 302c 2d31 -1033.17 4850,-1\n+00015550: 3134 372e 3636 2034 3834 312e 3638 2c2d 147.66 4841.68,-\n+00015560: 3131 3734 2e32 3720 3438 3232 2e30 382c 1174.27 4822.08,\n+00015570: 2d31 3232 332e 3539 2034 3833 352c 2d31 -1223.59 4835,-1\n+00015580: 3233 372e 3420 3438 3831 2e33 352c 2d31 237.4 4881.35,-1\n+00015590: 3238 362e 3935 2035 3336 312e 3233 2c2d 286.95 5361.23,-\n+000155a0: 3132 3837 2e34 3520 3535 3134 2e33 332c 1287.45 5514.33,\n+000155b0: 2d31 3238 362e 3332 222f 3e0a 3c70 6f6c -1286.32\"/>....\n+00015680: 3c67 2069 643d 2265 6467 6531 3338 2220 .module_src_\n+000156b0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+000156c0: 7279 2623 3435 3b26 6774 3b6d 6f64 756c ry->modul\n+000156d0: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+000156e0: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th......\n+00015a60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015a70: 6373 5f74 7261 6a65 6374 6f72 7926 2334 cs_trajectory\n+00015a80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00015a90: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+00015aa0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+00015b50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+00015bc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+00015c40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00015c50: 756e 7574 696c 6974 7926 2334 353b 2667 unutility-&g\n+00015c60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00015c70: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+00015c80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+00015fe0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00015ff0: 6e75 7469 6c69 7479 2623 3435 3b26 6774 nutility->\n+00016000: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00016010: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n+00016020: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00016030: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00016040: 6266 6266 6266 2220 643d 224d 3135 3939 bfbfbf\" d=\"M1599\n+00016050: 2e32 312c 2d37 3137 2e32 3943 3134 3239 .21,-717.29C1429\n+00016060: 2e39 342c 2d37 3037 2e32 3620 3834 302e .94,-707.26 840.\n+00016070: 3337 2c2d 3637 322e 3332 2036 3636 2e35 37,-672.32 666.5\n+00016080: 372c 2d36 3632 2e30 3122 2f3e 0a3c 706f 7,-662.01\"/>.<po\n+00016090: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+000160a0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+000160b0: 6266 6266 2220 706f 696e 7473 3d22 3636 bfbf\" points=\"66\n+000160c0: 362e 3634 2c2d 3635 382e 3531 2036 3536 6.64,-658.51 656\n+000160d0: 2e34 352c 2d36 3631 2e34 3120 3636 362e .45,-661.41 666.\n+000160e0: 3233 2c2d 3636 352e 3520 3636 362e 3634 23,-665.5 666.64\n+000160f0: 2c2d 3635 382e 3531 222f 3e0a 3c2f 673e ,-658.51\"/>.</g>\n+00016100: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00016110: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+00016120: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n+00016130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016140: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n+00016150: 643d 2265 6467 6531 3433 2220 636c 6173 d=\"edge143\" clas\n+00016160: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016170: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016180: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+00016190: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000161a0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+000161b0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io...\n+000162c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00016310: 3c67 2069 643d 2265 6467 6531 3436 2220 .module_src_\n+00016340: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00016350: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n+00016360: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016370: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n+00016380: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016390: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000163a0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000163b0: 6179 3d22 352c 3222 2064 3d22 4d31 3633 ay=\"5,2\" d=\"M163\n+000163c0: 332e 3635 2c2d 3730 372e 3743 3136 3235 3.65,-707.7C1625\n+000163d0: 2e30 382c 2d36 3938 2e31 3620 3136 3133 .08,-698.16 1613\n+000163e0: 2e32 372c 2d36 3834 2e34 3420 3136 3034 .27,-684.44 1604\n+000163f0: 2c2d 3637 312e 3537 2031 3531 392e 3433 ,-671.57 1519.43\n+00016400: 2c2d 3535 342e 3132 2031 3534 322e 3738 ,-554.12 1542.78\n+00016410: 2c2d 3438 392e 3831 2031 3433 352c 2d33 ,-489.81 1435,-3\n+00016420: 3933 2e32 3220 3133 3132 2e35 2c2d 3238 93.22 1312.5,-28\n+00016430: 332e 3433 2038 3232 2e37 372c 2d39 332e 3.43 822.77,-93.\n+00016440: 3233 2036 3930 2e32 322c 2d34 322e 3933 23 690.22,-42.93\n+00016450: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....module_src_gro\n+00016540: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00016550: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00016560: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+00016570: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing...<\n+000166b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00016700: 3c67 2069 643d 2265 6467 6531 3432 2220 .module_src_\n+00016730: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00016740: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n+00016750: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016760: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00016770: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+00016960: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016970: 5f6d 6472 756e 7574 696c 6974 7926 2334 _mdrunutility\n+00016980: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00016990: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils</titl\n+000169a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000169b0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+000169c0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+000169d0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+000169e0: 4d31 3639 322e 3431 2c2d 3732 322e 3532 M1692.41,-722.52\n+000169f0: 4331 3936 372e 3937 2c2d 3732 352e 3538 C1967.97,-725.58\n+00016a00: 2033 3336 352e 3836 2c2d 3734 322e 3236 3365.86,-742.26\n+00016a10: 2033 3739 352c 2d37 3730 2e34 3420 3430 3795,-770.44 40\n+00016a20: 3532 2e31 392c 2d37 3837 2e33 3320 3437 52.19,-787.33 47\n+00016a30: 3735 2e39 312c 2d37 3034 2e33 3120 3439 75.91,-704.31 49\n+00016a40: 3438 2c2d 3839 362e 3138 2034 3937 342e 48,-896.18 4974.\n+00016a50: 3633 2c2d 3932 352e 3837 2034 3935 362e 63,-925.87 4956.\n+00016a60: 3538 2c2d 3934 362e 3937 2034 3934 382c 58,-946.97 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2d31 3238 362e 3231 2035 3531 .76,-1286.21 551\n+00016b60: 342e 3733 2c2d 3132 3832 2e37 3820 3535 4.73,-1282.78 55\n+00016b70: 3134 2e37 382c 2d31 3238 392e 3738 222f 14.78,-1289.78\"/\n+00016b80: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00016b90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00016ba0: 6f70 6f6c 6f67 7926 2334 353b 2667 743b opology->\n+00016bb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016bc0: 6373 5f6d 6174 6820 2d2d 3e0a 3c67 2069 cs_math -->.<g i\n+00016bd0: 643d 2265 6467 6531 3439 2220 636c 6173 d=\"edge149\" clas\n+00016be0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016bf0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016c00: 6163 735f 746f 706f 6c6f 6779 2623 3435 acs_topology-\n+00016c10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016c20: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n+00016c30: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path 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2d32 3135 2e37 3820 3235 3133 2e39 6,-215.78 2513.9\n+00016d30: 332c 2d32 3232 2e37 3822 2f3e 0a3c 2f67 3,-222.78\"/>.</g\n+00016d40: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00016d50: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+00016d60: 6779 2623 3435 3b26 6774 3b6d 6f64 756c gy->modul\n+00016d70: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00016d80: 6d70 6174 202d 2d3e 0a3c 6720 6964 3d22 mpat -->.<g id=\"\n+00016d90: 6564 6765 3135 3022 2063 6c61 7373 3d22 edge150\" class=\"\n+00016da0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00016db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016dc0: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n+00016dd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00016de0: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n+00016df0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00016e00: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 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module_src\n+00016ef0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00016f00: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00016f10: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+00016f20: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n+00016f30: 6564 6765 3134 3822 2063 6c61 7373 3d22 edge148\" class=\"\n+00016f40: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00016f50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016f60: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n+00016f70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00016f80: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+00016f90: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00016fa0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00016fb0: 3238 3266 6363 2220 643d 224d 3137 3837 282fcc\" d=\"M1787\n+00016fc0: 2e33 332c 2d32 3637 2e38 3243 3138 3132 .33,-267.82C1812\n+00016fd0: 2e32 362c 2d32 3339 2e36 3320 3138 3739 .26,-239.63 1879\n+00016fe0: 2e30 332c 2d31 3639 2e38 3420 3139 3532 .03,-169.84 1952\n+00016ff0: 2c2d 3134 312e 3734 2032 3037 382e 362c ,-141.74 2078.6,\n+00017000: 2d39 322e 3938 2032 3530 352e 3039 2c2d -92.98 2505.09,-\n+00017010: 3932 2032 3633 362e 3238 2c2d 3932 2e39 92 2636.28,-92.9\n+00017020: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00017030: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00017040: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00017050: 6e74 733d 2232 3633 362e 362c 2d39 362e nts=\"2636.6,-96.\n+00017060: 3431 2032 3634 362e 3633 2c2d 3932 2e39 41 2646.63,-92.9\n+00017070: 3820 3236 3336 2e36 362c 2d38 392e 3431 8 2636.66,-89.41\n+00017080: 2032 3633 362e 362c 2d39 362e 3431 222f 2636.6,-96.41\"/\n+00017090: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000170a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000170b0: 6f70 6f6c 6f67 7926 2334 353b 2667 743b opology->\n+000170c0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+000170d0: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+000170e0: 6564 6765 3135 3122 2063 6c61 7373 3d22 edge151\" class=\"\n+000170f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00017100: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017110: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n+00017120: 743b 6d6f 6475 6c65 5f73 7263 5f74 6573 t;module_src_tes\n+00017130: 7475 7469 6c73 3c2f 7469 746c 653e 0a3c tutils.<\n+00017140: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00017150: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+00017160: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00017170: 6179 3d22 352c 3222 2064 3d22 4d31 3831 ay=\"5,2\" d=\"M181\n+00017180: 342e 3435 2c2d 3238 322e 3034 4332 3030 4.45,-282.04C200\n+00017190: 312e 352c 2d32 3832 2e38 3520 3238 3533 1.5,-282.85 2853\n+000171a0: 2e31 382c 2d32 3838 2e37 3720 3335 3439 .18,-288.77 3549\n+000171b0: 2c2d 3333 302e 3335 2034 3135 352e 3832 ,-330.35 4155.82\n+000171c0: 2c2d 3336 362e 3632 2034 3331 332e 3736 ,-366.62 4313.76\n+000171d0: 2c2d 3334 322e 3639 2034 3931 312c 2d34 ,-342.69 4911,-4\n+000171e0: 3536 2e30 3920 3530 3039 2e32 332c 2d34 56.09 5009.23,-4\n+000171f0: 3734 2e37 3420 3530 3636 2e39 392c 2d34 74.74 5066.99,-4\n+00017200: 3338 2e39 3920 3531 3237 2c2d 3531 382e 38.99 5127,-518.\n+00017210: 3936 2035 3136 382e 332c 2d35 3733 2e39 96 5168.3,-573.9\n+00017220: 3920 3531 3236 2e35 322c 2d36 3037 2e36 9 5126.52,-607.6\n+00017230: 3720 3531 3031 2c2d 3637 312e 3537 2035 7 5101,-671.57 5\n+00017240: 3039 302e 3433 2c2d 3639 382e 3034 2034 090.43,-698.04 4\n+00017250: 3931 362e 3239 2c2d 3131 3139 2e38 3720 916.29,-1119.87 \n+00017260: 3439 3130 2c2d 3131 3437 2e36 3620 3439 4910,-1147.66 49\n+00017270: 3031 2e33 392c 2d31 3138 352e 3732 2034 01.39,-1185.72 4\n+00017280: 3839 392e 3733 2c2d 3132 3330 2e36 3520 899.73,-1230.65 \n+00017290: 3439 3036 2c2d 3132 3337 2e34 2034 3934 4906,-1237.4 494\n+000172a0: 372e 3236 2c2d 3132 3831 2e38 3220 3533 7.26,-1281.82 53\n+000172b0: 3732 2e30 332c 2d31 3238 352e 3837 2035 72.03,-1285.87 5\n+000172c0: 3531 342e 3632 2c2d 3132 3835 2e39 3622 514.62,-1285.96\"\n+000172d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />...\n+00017350: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+000175d0: 3c67 2069 643d 2265 6467 6531 3539 2220 .module_src_\n+00017600: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+00017610: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00017620: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n+00017630: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....\n+000177a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000177b0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+000177c0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+000177d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+000177e0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......\n+00017990: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000179a0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+000179b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000179c0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+000179d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000179e0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+000179f0: 2220 643d 224d 3135 3939 2e38 342c 2d39 \" d=\"M1599.84,-9\n+00017a00: 3738 2e35 3743 3135 3139 2e34 2c2d 3939 78.57C1519.4,-99\n+00017a10: 302e 3334 2031 3331 352e 3733 2c2d 3130 0.34 1315.73,-10\n+00017a20: 3138 2e37 3120 3133 3031 2c2d 3130 3231 18.71 1301,-1021\n+00017a30: 2e39 3220 3132 3935 2e37 312c 2d31 3032 .92 1295.71,-102\n+00017a40: 332e 3038 2031 3239 302e 3131 2c2d 3130 3.08 1290.11,-10\n+00017a50: 3234 2e35 3520 3132 3834 2e35 392c 2d31 24.55 1284.59,-1\n+00017a60: 3032 362e 3038 222f 3e0a 3c70 6f6c 7967 026.08\"/>.<polyg\n+00017a70: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+00017a80: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+00017a90: 733d 2231 3238 332e 352c 2d31 3032 322e s=\"1283.5,-1022.\n+00017aa0: 3735 2031 3237 342e 3832 2c2d 3130 3238 75 1274.82,-1028\n+00017ab0: 2e38 3320 3132 3835 2e33 392c 2d31 3032 .83 1285.39,-102\n+00017ac0: 392e 3439 2031 3238 332e 352c 2d31 3032 9.49 1283.5,-102\n+00017ad0: 322e 3735 222f 3e0a 3c2f 673e 0a3c 212d 2.75\"/>.</g>.<!-\n+00017ae0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00017af0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00017b00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017b10: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n+00017b20: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00017b30: 3536 2220 636c 6173 733d 2265 6467 6522 56\" class=\"edge\"\n+00017b40: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00017b50: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00017b60: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00017b70: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00017b80: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n+00017b90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00017ba0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00017bb0: 2220 643d 224d 3136 3030 2e37 362c 2d39 \" d=\"M1600.76,-9\n+00017bc0: 3635 2e35 3643 3135 3737 2e33 382c 2d39 65.56C1577.38,-9\n+00017bd0: 3539 2e33 3120 3135 3436 2e39 362c 2d39 59.31 1546.96,-9\n+00017be0: 3436 2e39 3120 3135 3332 2c2d 3932 332e 46.91 1532,-923.\n+00017bf0: 3035 2031 3435 312e 3436 2c2d 3739 342e 05 1451.46,-794.\n+00017c00: 3535 2031 3439 342e 3139 2c2d 3732 382e 55 1494.19,-728.\n+00017c10: 3720 3135 3332 2c2d 3538 312e 3833 2031 7 1532,-581.83 1\n+00017c20: 3535 352e 3836 2c2d 3438 392e 3133 2031 555.86,-489.13 1\n+00017c30: 3537 342e 312c 2d34 3636 2e32 3420 3136 574.1,-466.24 16\n+00017c40: 3336 2c2d 3339 332e 3232 2031 3636 392e 36,-393.22 1669.\n+00017c50: 3633 2c2d 3335 332e 3535 2031 3731 392e 63,-353.55 1719.\n+00017c60: 3237 2c2d 3331 382e 3334 2031 3734 392e 27,-318.34 1749.\n+00017c70: 382c 2d32 3938 2e36 222f 3e0a 3c70 6f6c 8,-298.6\"/>..<\n+00017cf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00017d60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017d70: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00017d80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017d90: 6163 735f 7075 6c6c 696e 673c 2f74 6974 acs_pulling</tit\n+00017da0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00017db0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00017dc0: 6422 2064 3d22 4d31 3636 362e 322c 2d39 d\" d=\"M1666.2,-9\n+00017dd0: 3737 2e30 3543 3137 3238 2e33 2c2d 3938 77.05C1728.3,-98\n+00017de0: 342e 3332 2031 3836 322e 3832 2c2d 3130 4.32 1862.82,-10\n+00017df0: 3031 2e38 3520 3139 3735 2c2d 3130 3231 01.85 1975,-1021\n+00017e00: 2e39 3220 3230 3331 2e33 362c 2d31 3033 .92 2031.36,-103\n+00017e10: 322e 3031 2032 3034 342e 3231 2c2d 3130 2.01 2044.21,-10\n+00017e20: 3431 2e34 3520 3231 3031 2c2d 3130 3438 41.45 2101,-1048\n+00017e30: 2e37 3920 3234 3337 2e36 382c 2d31 3039 .79 2437.68,-109\n+00017e40: 322e 3334 2032 3532 352e 3336 2c2d 3130 2.34 2525.36,-10\n+00017e50: 3630 2e38 3620 3238 3634 2c2d 3130 3834 60.86 2864,-1084\n+00017e60: 2e37 3920 3238 3932 2e31 2c2d 3130 3836 .79 2892.1,-1086\n+00017e70: 2e37 3820 3239 3233 2e35 2c2d 3130 3839 .78 2923.5,-1089\n+00017e80: 2e37 3120 3239 3437 2e36 342c 2d31 3039 .71 2947.64,-109\n+00017e90: 322e 3232 222f 3e0a 3c70 6f6c 7967 6f6e 2.22\"/>.<polygon\n+00017ea0: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00017eb0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+00017ec0: 2232 3934 372e 3534 2c2d 3130 3935 2e37 \"2947.54,-1095.7\n+00017ed0: 3320 3239 3537 2e38 352c 2d31 3039 332e 3 2957.85,-1093.\n+00017ee0: 3331 2032 3934 382e 3238 2c2d 3130 3838 31 2948.28,-1088\n+00017ef0: 2e37 3720 3239 3437 2e35 342c 2d31 3039 .77 2947.54,-109\n+00017f00: 352e 3733 222f 3e0a 3c2f 673e 0a3c 212d 5.73\"/>.</g>.<!-\n+00017f10: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00017f20: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00017f30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017f40: 726f 6d61 6373 5f68 6172 6477 6172 6520 romacs_hardware \n+00017f50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00017f60: 3638 2220 636c 6173 733d 2265 6467 6522 68\" class=\"edge\"\n+00017f70: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00017f80: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00017f90: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00017fa0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00017fb0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n+00017fc0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00017fd0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00017fe0: 2220 643d 224d 3135 3939 2e38 362c 2d39 \" d=\"M1599.86,-9\n+00017ff0: 3636 2e33 3643 3135 3533 2e35 322c 2d39 66.36C1553.52,-9\n+00018000: 3538 2e36 3720 3134 3635 2e34 352c 2d39 58.67 1465.45,-9\n+00018010: 3432 2e39 2031 3339 322c 2d39 3233 2e30 42.9 1392,-923.0\n+00018020: 3520 3131 3030 2e32 372c 2d38 3434 2e32 5 1100.27,-844.2\n+00018030: 3320 3735 382e 3537 2c2d 3731 342e 3033 3 758.57,-714.03\n+00018040: 2036 3531 2e36 382c 2d36 3732 2e33 3822 651.68,-672.38\"\n+00018050: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....module_\n+00018140: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00018150: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00018160: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00018170: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n+00018180: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00018190: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+000181a0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+000181b0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000181c0: 224d 3136 3332 2e30 372c 2d39 3539 4331 \"M1632.07,-959C1\n+000181d0: 3633 322e 3832 2c2d 3934 322e 3637 2031 632.82,-942.67 1\n+000181e0: 3633 362e 3436 2c2d 3931 342e 3034 2031 636.46,-914.04 1\n+000181f0: 3635 322c 2d38 3936 2e31 3820 3136 3638 652,-896.18 1668\n+00018200: 2e37 322c 2d38 3736 2e39 3620 3136 3934 .72,-876.96 1694\n+00018210: 2e33 352c 2d38 3635 2e31 3820 3137 3137 .35,-865.18 1717\n+00018220: 2e31 372c 2d38 3538 2e30 3522 2f3e 0a3c .17,-858.05\"/>.<\n+00018230: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00018240: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00018250: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00018260: 3137 3138 2e34 342c 2d38 3631 2e33 3320 1718.44,-861.33 \n+00018270: 3137 3237 2e30 382c 2d38 3535 2e31 3920 1727.08,-855.19 \n+00018280: 3137 3136 2e35 2c2d 3835 342e 3620 3137 1716.5,-854.6 17\n+00018290: 3138 2e34 342c 2d38 3631 2e33 3322 2f3e 18.44,-861.33\"/>\n+000182a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000182b0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000182c0: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+000182d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000182e0: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n+000182f0: 3d22 6564 6765 3136 3322 2063 6c61 7373 =\"edge163\" class\n+00018300: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00018310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018320: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00018330: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00018340: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+00018350: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00018360: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00018370: 6662 6662 6622 2064 3d22 4d31 3635 302e fbfbf\" d=\"M1650.\n+00018380: 3834 2c2d 3936 302e 3937 4331 3637 382e 84,-960.97C1678.\n+00018390: 312c 2d39 3435 2e39 3120 3137 3330 2e32 1,-945.91 1730.2\n+000183a0: 392c 2d39 3137 2e36 3520 3137 3736 2c2d 9,-917.65 1776,-\n+000183b0: 3839 362e 3138 2031 3831 332e 352c 2d38 896.18 1813.5,-8\n+000183c0: 3738 2e35 3620 3138 3233 2e39 392c 2d38 78.56 1823.99,-8\n+000183d0: 3736 2e36 3720 3138 3632 2c2d 3836 302e 76.67 1862,-860.\n+000183e0: 3138 2031 3932 342e 3538 2c2d 3833 332e 18 1924.58,-833.\n+000183f0: 3034 2031 3934 312e 3532 2c2d 3832 382e 04 1941.52,-828.\n+00018400: 3835 2032 3030 322c 2d37 3937 2e33 3120 85 2002,-797.31 \n+00018410: 3230 3730 2e38 392c 2d37 3631 2e33 3920 2070.89,-761.39 \n+00018420: 3230 3739 2e39 372c 2d37 3336 2e36 3820 2079.97,-736.68 \n+00018430: 3231 3532 2c2d 3730 372e 3537 2032 3431 2152,-707.57 241\n+00018440: 332e 3037 2c2d 3630 322e 3035 2032 3735 3.07,-602.05 275\n+00018450: 322e 3532 2c2d 3535 322e 3031 2032 3836 2.52,-552.01 286\n+00018460: 322e 3734 2c2d 3533 372e 3822 2f3e 0a3c 2.74,-537.8\"/>.<\n+00018470: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00018480: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00018490: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000184a0: 3238 3633 2e35 2c2d 3534 312e 3233 2032 2863.5,-541.23 2\n+000184b0: 3837 322e 3937 2c2d 3533 362e 3439 2032 872.97,-536.49 2\n+000184c0: 3836 322e 3631 2c2d 3533 342e 3238 2032 862.61,-534.28 2\n+000184d0: 3836 332e 352c 2d35 3431 2e32 3322 2f3e 863.5,-541.23\"/>\n+000184e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000184f0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00018500: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+00018510: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018520: 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 643d nbnxm -->.<g id=\n+00018530: 2265 6467 6531 3635 2220 636c 6173 733d \"edge165\" class=\n+00018540: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00018550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018560: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00018570: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00018580: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65 acs_nbnxm</title\n+00018590: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000185a0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+000185b0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000185c0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000185d0: 3135 3936 2e39 362c 2d39 3639 2e30 3843 1596.96,-969.08C\n+000185e0: 3134 3635 2e32 2c2d 3935 392e 3632 2031 1465.2,-959.62 1\n+000185f0: 3030 302e 3537 2c2d 3932 342e 3933 2038 000.57,-924.93 8\n+00018600: 3538 2e35 2c2d 3931 332e 3936 222f 3e0a 58.5,-913.96\"/>.\n+00018610: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00018620: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+00018630: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+00018640: 2238 3538 2e36 392c 2d39 3130 2e34 3720 \"858.69,-910.47 \n+00018650: 3834 382e 3435 2c2d 3931 332e 3138 2038 848.45,-913.18 8\n+00018660: 3538 2e31 352c 2d39 3137 2e34 3520 3835 58.15,-917.45 85\n+00018670: 382e 3639 2c2d 3931 302e 3437 222f 3e0a 8.69,-910.47\"/>.\n+00018680: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00018690: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+000186a0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+000186b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+000186c0: 6263 7574 696c 202d 2d3e 0a3c 6720 6964 bcutil -->.<g id\n+000186d0: 3d22 6564 6765 3135 3522 2063 6c61 7373 =\"edge155\" class\n+000186e0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000186f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018700: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00018710: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00018720: 6d61 6373 5f70 6263 7574 696c 3c2f 7469 macs_pbcutil</ti\n+00018730: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00018740: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00018750: 6266 6266 6266 2220 643d 224d 3136 3432 bfbfbf\" d=\"M1642\n+00018760: 2e38 2c2d 3935 392e 3338 4331 3635 382e .8,-959.38C1658.\n+00018770: 3036 2c2d 3934 322e 3934 2031 3638 372e 06,-942.94 1687.\n+00018780: 352c 2d39 3133 2e36 3120 3137 3138 2c2d 5,-913.61 1718,-\n+00018790: 3839 362e 3138 2031 3736 322e 332c 2d38 896.18 1762.3,-8\n+000187a0: 3730 2e38 3720 3137 3831 2e39 312c 2d38 70.87 1781.91,-8\n+000187b0: 3834 2e30 3520 3138 3237 2c2d 3836 302e 84.05 1827,-860.\n+000187c0: 3138 2031 3834 342e 3333 2c2d 3835 312e 18 1844.33,-851.\n+000187d0: 3031 2031 3834 352e 3132 2c2d 3834 332e 01 1845.12,-843.\n+000187e0: 3320 3138 3632 2c2d 3833 332e 3331 2031 3 1862,-833.31 1\n+000187f0: 3839 362e 3236 2c2d 3831 332e 3034 2031 896.26,-813.04 1\n+00018800: 3931 302e 3232 2c2d 3831 382e 3336 2031 910.22,-818.36 1\n+00018810: 3934 342c 2d37 3937 2e33 3120 3230 3931 944,-797.31 2091\n+00018820: 2e30 382c 2d37 3035 2e36 3520 3231 3134 .08,-705.65 2114\n+00018830: 2e33 312c 2d36 3633 2032 3234 322c 2d35 .31,-663 2242,-5\n+00018840: 3435 2e38 3320 3232 3833 2e36 322c 2d35 45.83 2283.62,-5\n+00018850: 3037 2e36 3420 3232 3838 2e30 332c 2d34 07.64 2288.03,-4\n+00018860: 3931 2e35 3520 3233 3332 2c2d 3435 362e 91.55 2332,-456.\n+00018870: 3039 2032 3334 372e 3139 2c2d 3434 332e 09 2347.19,-443.\n+00018880: 3834 2032 3336 352e 3537 2c2d 3433 312e 84 2365.57,-431.\n+00018890: 3933 2032 3338 302e 3334 2c2d 3432 322e 93 2380.34,-422.\n+000188a0: 3938 222f 3e0a 3c70 6f6c 7967 6f6e 2066 98\"/>.<polygon f\n+000188b0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+000188c0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+000188d0: 6f69 6e74 733d 2232 3338 322e 322c 2d34 oints=\"2382.2,-4\n+000188e0: 3235 2e39 3420 3233 3839 2c2d 3431 372e 25.94 2389,-417.\n+000188f0: 3832 2032 3337 382e 3632 2c2d 3431 392e 82 2378.62,-419.\n+00018900: 3933 2032 3338 322e 322c 2d34 3235 2e39 93 2382.2,-425.9\n+00018910: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+00018920: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018930: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00018940: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00018950: 6163 735f 636f 6d70 6174 202d 2d3e 0a3c acs_compat -->.<\n+00018960: 6720 6964 3d22 6564 6765 3136 3222 2063 g id=\"edge162\" c\n+00018970: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00018980: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00018990: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+000189a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000189b0: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n+000189c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000189d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000189e0: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n+000189f0: 3539 352e 3638 2c2d 3937 322e 3139 4331 595.68,-972.19C1\n+00018a00: 3535 312e 3233 2c2d 3937 312e 3136 2031 551.23,-971.16 1\n+00018a10: 3437 352e 3937 2c2d 3936 3320 3134 3238 475.97,-963 1428\n+00018a20: 2c2d 3932 332e 3035 2031 3334 372e 3537 ,-923.05 1347.57\n+00018a30: 2c2d 3835 362e 3038 2031 3430 312e 3339 ,-856.08 1401.39\n+00018a40: 2c2d 3738 362e 3820 3133 3333 2c2d 3730 ,-786.8 1333,-70\n+00018a50: 372e 3537 2031 3330 342c 2d36 3733 2e39 7.57 1304,-673.9\n+00018a60: 3720 3635 372c 2d33 3236 2e33 2036 3537 7 657,-326.3 657\n+00018a70: 2c2d 3238 312e 3932 2036 3537 2c2d 3238 ,-281.92 657,-28\n+00018a80: 312e 3932 2036 3537 2c2d 3238 312e 3932 1.92 657,-281.92\n+00018a90: 2036 3537 2c2d 3135 342e 3138 2036 3537 657,-154.18 657\n+00018aa0: 2c2d 3131 382e 3937 2036 3537 2c2d 3738 ,-118.97 657,-78\n+00018ab0: 2e31 3220 3635 372c 2d35 332e 3239 222f .12 657,-53.29\"/\n+00018ac0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00018ad0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00018ae0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00018af0: 733d 2236 3630 2e35 2c2d 3533 2e30 3820 s=\"660.5,-53.08 \n+00018b00: 3635 372c 2d34 332e 3038 2036 3533 2e35 657,-43.08 653.5\n+00018b10: 2c2d 3533 2e30 3820 3636 302e 352c 2d35 ,-53.08 660.5,-5\n+00018b20: 332e 3038 222f 3e0a 3c2f 673e 0a3c 212d 3.08\"/>.</g>.<!-\n+00018b30: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00018b40: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00018b50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018b60: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n+00018b70: 3e0a 3c67 2069 643d 2265 6467 6531 3631 >.<g id=\"edge161\n+00018b80: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00018b90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00018ba0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00018bb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00018bc0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00018bd0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.....\n+00018d20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00018d30: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00018d40: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00018d50: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+00018d60: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing......modul\n+00018f40: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00018f50: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+00018f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018f70: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00018f80: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00018f90: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00018fa0: 6662 6622 2064 3d22 4d31 3539 362e 3134 fbf\" d=\"M1596.14\n+00018fb0: 2c2d 3937 302e 3237 4331 3535 392e 362c ,-970.27C1559.6,\n+00018fc0: 2d39 3637 2e31 2031 3530 332e 3638 2c2d -967.1 1503.68,-\n+00018fd0: 3935 362e 3633 2031 3437 302c 2d39 3233 956.63 1470,-923\n+00018fe0: 2e30 3520 3134 3235 2e32 392c 2d38 3738 .05 1425.29,-878\n+00018ff0: 2e34 3720 3134 3337 2c2d 3834 382e 3031 .47 1437,-848.01\n+00019000: 2031 3433 372c 2d37 3834 2e38 3820 3134 1437,-784.88 14\n+00019010: 3337 2c2d 3738 342e 3838 2031 3433 372c 37,-784.88 1437,\n+00019020: 2d37 3834 2e38 3820 3134 3337 2c2d 3635 -784.88 1437,-65\n+00019030: 372e 3134 2031 3433 372c 2d36 3230 2e32 7.14 1437,-620.2\n+00019040: 3320 3134 3237 2e37 362c 2d36 3038 2e32 3 1427.76,-608.2\n+00019050: 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6772 6f6d 6163 odule_src_gromac\n+00019140: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00019150: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00019160: 6163 735f 696d 6420 2d2d 3e0a 3c67 2069 acs_imd -->.<g i\n+00019170: 643d 2265 6467 6531 3634 2220 636c 6173 d=\"edge164\" clas\n+00019180: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00019190: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000191a0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+000191b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000191c0: 6f6d 6163 735f 696d 643c 2f74 6974 6c65 omacs_imd</title\n+000191d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000191e0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+000191f0: 2064 3d22 4d31 3636 312e 352c 2d39 3830 d=\"M1661.5,-980\n+00019200: 2e35 3243 3137 3139 2e30 342c 2d39 3935 .52C1719.04,-995\n+00019210: 2e34 3820 3138 3439 2e34 382c 2d31 3033 .48 1849.48,-103\n+00019220: 302e 3535 2031 3936 312c 2d31 3034 382e 0.55 1961,-1048.\n+00019230: 3739 2032 3133 372e 3232 2c2d 3130 3737 79 2137.22,-1077\n+00019240: 2e36 3120 3233 3530 2e31 312c 2d31 3039 .61 2350.11,-109\n+00019250: 302e 3738 2032 3433 342e 3334 2c2d 3130 0.78 2434.34,-10\n+00019260: 3935 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 95.3\"/>.<polygon\n+00019270: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00019280: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+00019290: 2232 3433 342e 3236 2c2d 3130 3938 2e38 \"2434.26,-1098.8\n+000192a0: 2032 3434 342e 3433 2c2d 3130 3935 2e38 2444.43,-1095.8\n+000192b0: 3320 3234 3334 2e36 332c 2d31 3039 312e 3 2434.63,-1091.\n+000192c0: 3831 2032 3433 342e 3236 2c2d 3130 3938 81 2434.26,-1098\n+000192d0: 2e38 222f 3e0a 3c2f 673e 0a3c 212d 2d20 .8\"/>.</g>.<!-- \n+000192e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000192f0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00019300: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019310: 6d61 6373 5f75 7469 6c69 7479 202d 2d3e macs_utility -->\n+00019320: 0a3c 6720 6964 3d22 6564 6765 3135 3722 .<g id=\"edge157\"\n+00019330: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00019340: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00019350: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+00019360: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00019370: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+00019380: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......mod\n+00019650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019660: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00019670: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n+00019680: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......modul\n+00019840: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+00019850: 6475 6c61 7273 696d 756c 6174 6f72 3c2f dularsimulator</\n+00019860: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+00019870: 6e6f 6465 3138 223e 3c61 2078 6c69 6e6b node18\"><a xlink\n+00019880: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+00019890: 6475 6c65 5f5f 6d6f 6475 6c61 7273 696d dule__modularsim\n+000198a0: 756c 6174 6f72 2e78 6874 6d6c 2220 7461 ulator.xhtml\" ta\n+000198b0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+000198c0: 6b3a 7469 746c 653d 226d 6f64 756c 6172 k:title=\"modular\n+000198d0: 7369 6d75 6c61 746f 7222 3e0a 3c65 6c6c simulator\">.<ell\n+000198e0: 6970 7365 2066 696c 6c3d 2223 6535 6363 ipse fill=\"#e5cc\n+000198f0: 6666 2220 7374 726f 6b65 3d22 626c 6163 ff\" stroke=\"blac\n+00019900: 6b22 2063 783d 2231 3037 3722 2063 793d k\" cx=\"1077\" cy=\n+00019910: 222d 3131 3631 2e31 2220 7278 3d22 3635 \"-1161.1\" rx=\"65\n+00019920: 2e31 3122 2072 793d 2231 332e 3337 222f .11\" ry=\"13.37\"/\n+00019930: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n+00019940: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n+00019950: 3130 3737 2220 793d 222d 3131 3538 2e36 1077\" y=\"-1158.6\n+00019960: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n+00019970: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n+00019980: 7a65 3d22 3130 2e30 3022 3e6d 6f64 756c ze=\"10.00\">modul\n+00019990: 6172 7369 6d75 6c61 746f 723c 2f74 6578 arsimulator</tex\n+000199a0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+000199b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000199c0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+000199d0: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n+000199e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000199f0: 6f6d 6163 735f 6d61 7468 202d 2d3e 0a3c omacs_math -->.<\n+00019a00: 6720 6964 3d22 6564 6765 3137 3422 2063 g id=\"edge174\" c\n+00019a10: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00019a20: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00019a30: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00019a40: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00019a50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019a60: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n+00019a70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00019bb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+00019cb0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00019cc0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00019cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019ce0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline....<\n+00019ea0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00019eb0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00019ec0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00019ed0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019ee0: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720 cs_ewald -->..module_src_gro\n+00019f20: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00019f30: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00019f40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019f50: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n+00019f60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00019f70: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00019f80: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00019f90: 6179 3d22 352c 3222 2064 3d22 4d31 3033 ay=\"5,2\" d=\"M103\n+00019fa0: 342e 3834 2c2d 3131 3530 2e37 3843 3939 4.84,-1150.78C99\n+00019fb0: 332e 3239 2c2d 3131 3431 2e34 3420 3932 3.29,-1141.44 92\n+00019fc0: 382e 3036 2c2d 3131 3236 2e33 3820 3837 8.06,-1126.38 87\n+00019fd0: 322c 2d31 3131 312e 3636 2038 3638 2e38 2,-1111.66 868.8\n+00019fe0: 342c 2d31 3131 302e 3833 2038 3635 2e35 4,-1110.83 865.5\n+00019ff0: 362c 2d31 3130 392e 3934 2038 3632 2e32 6,-1109.94 862.2\n+0001a000: 392c 2d31 3130 392e 3033 222f 3e0a 3c70 9,-1109.03\"/>.\n+0001a080: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+0001a100: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0001a110: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+0001a120: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001a130: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0001a140: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....<\n+0001a2d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001a2e0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+0001a2f0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+0001a300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a310: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->..module_src_gro\n+0001a350: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+0001a360: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+0001a370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a380: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+0001a390: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001a3a0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001a3b0: 2220 643d 224d 3130 3837 2e38 362c 2d31 \" d=\"M1087.86,-1\n+0001a3c0: 3134 372e 3735 4331 3130 322e 332c 2d31 147.75C1102.3,-1\n+0001a3d0: 3133 312e 3833 2031 3132 392e 3134 2c2d 131.83 1129.14,-\n+0001a3e0: 3131 3033 2e39 3120 3131 3536 2c2d 3130 1103.91 1156,-10\n+0001a3f0: 3834 2e37 3920 3131 3736 2e32 322c 2d31 84.79 1176.22,-1\n+0001a400: 3037 302e 3420 3132 3031 2e32 392c 2d31 070.4 1201.29,-1\n+0001a410: 3035 372e 3720 3132 3230 2e34 352c 2d31 057.7 1220.45,-1\n+0001a420: 3034 382e 3932 222f 3e0a 3c70 6f6c 7967 048.92\"/>..\n+0001a4a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+0001a520: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a530: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0001a540: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0001a550: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001a560: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n+0001a570: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001a580: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001a590: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001a5a0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001a5b0: 4d31 3134 302e 3938 2c2d 3131 3538 2e34 M1140.98,-1158.4\n+0001a5c0: 3543 3132 3739 2e33 312c 2d31 3135 342e 5C1279.31,-1154.\n+0001a5d0: 3333 2031 3539 362e 3931 2c2d 3131 3431 33 1596.91,-1141\n+0001a5e0: 2e36 3820 3136 3335 2c2d 3131 3131 2e36 .68 1635,-1111.6\n+0001a5f0: 3620 3136 3930 2e32 352c 2d31 3036 382e 6 1690.25,-1068.\n+0001a600: 3131 2031 3639 312e 3931 2c2d 3130 3237 11 1691.91,-1027\n+0001a610: 2e38 2031 3637 372c 2d39 3539 2e30 3520 .8 1677,-959.05 \n+0001a620: 3136 3636 2e37 372c 2d39 3131 2e38 3720 1666.77,-911.87 \n+0001a630: 3136 3432 2e32 332c 2d39 3037 2e33 3620 1642.23,-907.36 \n+0001a640: 3136 3332 2c2d 3836 302e 3138 2031 3632 1632,-860.18 162\n+0001a650: 332e 3535 2c2d 3832 312e 3220 3136 3236 3.55,-821.2 1626\n+0001a660: 2e37 392c 2d38 3039 2e39 3820 3136 3332 .79,-809.98 1632\n+0001a670: 2c2d 3737 302e 3434 2031 3633 332e 3134 ,-770.44 1633.14\n+0001a680: 2c2d 3736 312e 3820 3136 3335 2e33 382c ,-761.8 1635.38,\n+0001a690: 2d37 3532 2e35 3120 3136 3337 2e36 382c -752.51 1637.68,\n+0001a6a0: 2d37 3434 2e34 222f 3e0a 3c70 6f6c 7967 -744.4\"/>.<polyg\n+0001a6b0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+0001a6c0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0001a6d0: 6322 2070 6f69 6e74 733d 2231 3634 312e c\" points=\"1641.\n+0001a6e0: 3131 2c2d 3734 352e 3135 2031 3634 302e 11,-745.15 1640.\n+0001a6f0: 3635 2c2d 3733 342e 3537 2031 3633 342e 65,-734.57 1634.\n+0001a700: 3431 2c2d 3734 332e 3133 2031 3634 312e 41,-743.13 1641.\n+0001a710: 3131 2c2d 3734 352e 3135 222f 3e0a 3c2f 11,-745.15\"/>.</\n+0001a720: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001a730: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+0001a740: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+0001a750: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001a760: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n+0001a770: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001a780: 3832 2220 636c 6173 733d 2265 6467 6522 82\" class=\"edge\"\n+0001a790: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001a7a0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001a7b0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001a7c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a7d0: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+0001a7e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n+0001aa60: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0001aa70: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+0001aa80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001aa90: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n 0001aaa0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n-0001acf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001ad00: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-0001ad10: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-0001ad20: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0001ad30: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n-0001ad40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001ad50: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001ad60: 2220 643d 224d 3132 3436 2e34 392c 2d31 \" d=\"M1246.49,-1\n-0001ad70: 3135 382e 3838 4331 3435 352e 3333 2c2d 158.88C1455.33,-\n-0001ad80: 3131 3534 2e37 2032 3130 342e 3835 2c2d 1154.7 2104.85,-\n-0001ad90: 3131 3339 2e35 3520 3231 3935 2c2d 3131 1139.55 2195,-11\n-0001ada0: 3131 2e36 3620 3232 3435 2e38 372c 2d31 11.66 2245.87,-1\n-0001adb0: 3039 352e 3932 2032 3236 302e 3637 2c2d 095.92 2260.67,-\n-0001adc0: 3130 3837 2e37 3220 3232 3937 2c2d 3130 1087.72 2297,-10\n-0001add0: 3438 2e37 3920 3233 3337 2e33 2c2d 3130 48.79 2337.3,-10\n-0001ade0: 3035 2e36 3120 3233 3331 2e37 2c2d 3938 05.61 2331.7,-98\n-0001adf0: 312e 3533 2032 3334 302c 2d39 3233 2e30 1.53 2340,-923.0\n-0001ae00: 3520 3233 3734 2e32 372c 2d36 3831 2e34 5 2374.27,-681.4\n-0001ae10: 3920 3234 3038 2e30 362c 2d33 3837 2e35 9 2408.06,-387.5\n-0001ae20: 3920 3234 3137 2e34 342c 2d33 3034 2e36 9 2417.44,-304.6\n-0001ae30: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>.....module_src_gr\n-0001af30: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-0001af40: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-0001af50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001af60: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes....\n-0001b0e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-0001b130: 6720 6964 3d22 6564 6765 3138 3122 2063 g id=\"edge181\" c\n-0001b140: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001b160: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0001b170: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0001b180: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b190: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing....<\n-0001b330: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001b340: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0001b350: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0001b360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b370: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720 cs_nbnxm -->..module_src_gro\n-0001b3b0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-0001b3c0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-0001b3d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b3e0: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n-0001b3f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001b400: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001b410: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001b420: 6179 3d22 352c 3222 2064 3d22 4d31 3135 ay=\"5,2\" d=\"M115\n-0001b430: 322e 3435 2c2d 3131 3439 2e30 3443 3131 2.45,-1149.04C11\n-0001b440: 3330 2e30 312c 2d31 3134 302e 3135 2031 30.01,-1140.15 1\n-0001b450: 3039 382e 3734 2c2d 3131 3236 2e37 3120 098.74,-1126.71 \n-0001b460: 3130 3733 2c2d 3131 3131 2e36 3620 3937 1073,-1111.66 97\n-0001b470: 352e 3331 2c2d 3130 3534 2e35 3720 3837 5.31,-1054.57 87\n-0001b480: 322e 3132 2c2d 3936 362e 3734 2038 3239 2.12,-966.74 829\n-0001b490: 2e33 382c 2d39 3238 2e39 3522 2f3e 0a3c .38,-928.95\"/>.<\n-0001b4a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001b4b0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001b4c0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001b4d0: 3833 312e 3435 2c2d 3932 362e 3131 2038 831.45,-926.11 8\n-0001b4e0: 3231 2e36 352c 2d39 3232 2e30 3820 3832 21.65,-922.08 82\n-0001b4f0: 362e 382c 2d39 3331 2e33 3420 3833 312e 6.8,-931.34 831.\n-0001b500: 3435 2c2d 3932 362e 3131 222f 3e0a 3c2f 45,-926.11\"/>....mod\n-0001b590: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b5a0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-0001b5b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001b5c0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-0001b5d0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n-0001b5e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-0001b760: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-0001b7b0: 6720 6964 3d22 6564 6765 3138 3422 2063 g id=\"edge184\" c\n-0001b7c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001b7e0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0001b7f0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0001b800: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b810: 6373 5f63 6f6d 7061 743c 2f74 6974 6c65 cs_compat......module_src_gr\n-0001ba50: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-0001ba60: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-0001ba70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001ba80: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline....\n+0001abd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+0001ac50: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+0001ac60: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+0001ac70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ac80: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+0001ac90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001aca0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001acb0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+0001acc0: 3038 332e 3239 2c2d 3131 3437 2e33 3543 083.29,-1147.35C\n+0001acd0: 3130 3939 2e30 332c 2d31 3131 352e 3439 1099.03,-1115.49\n+0001ace0: 2031 3134 312e 3439 2c2d 3130 3239 2e38 1141.49,-1029.8\n+0001acf0: 3820 3131 3738 2c2d 3935 392e 3035 2031 8 1178,-959.05 1\n+0001ad00: 3237 382e 3734 2c2d 3736 332e 3634 2031 278.74,-763.64 1\n+0001ad10: 3238 342e 352c 2d36 3334 2e33 3120 3134 284.5,-634.31 14\n+0001ad20: 3938 2c2d 3538 312e 3833 2031 3633 332e 98,-581.83 1633.\n+0001ad30: 3638 2c2d 3534 382e 3438 2032 3635 332e 68,-548.48 2653.\n+0001ad40: 3231 2c2d 3533 352e 3939 2032 3836 312e 21,-535.99 2861.\n+0001ad50: 3739 2c2d 3533 332e 3737 222f 3e0a 3c70 79,-533.77\"/>.<p\n+0001ad60: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0001ad70: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0001ad80: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n+0001ad90: 3836 312e 3936 2c2d 3533 372e 3237 2032 861.96,-537.27 2\n+0001ada0: 3837 312e 3933 2c2d 3533 332e 3636 2032 871.93,-533.66 2\n+0001adb0: 3836 312e 3839 2c2d 3533 302e 3237 2032 861.89,-530.27 2\n+0001adc0: 3836 312e 3936 2c2d 3533 372e 3237 222f 861.96,-537.27\"/\n+0001add0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001ade0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001adf0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0001ae00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001ae10: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+0001ae20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001ae30: 3137 3722 2063 6c61 7373 3d22 6564 6765 177\" class=\"edge\n+0001ae40: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001ae50: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+0001ae60: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+0001ae70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ae80: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm</\n+0001ae90: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001aea0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001aeb0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001aec0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001aed0: 2064 3d22 4d31 3032 362e 3632 2c2d 3131 d=\"M1026.62,-11\n+0001aee0: 3532 2e35 3743 3939 362e 3531 2c2d 3131 52.57C996.51,-11\n+0001aef0: 3435 2e39 3720 3935 382e 3939 2c2d 3131 45.97 958.99,-11\n+0001af00: 3333 2e37 3920 3933 322c 2d31 3131 312e 33.79 932,-1111.\n+0001af10: 3636 2038 3732 2e32 322c 2d31 3036 322e 66 872.22,-1062.\n+0001af20: 3634 2038 3337 2e33 372c 2d39 3733 2e38 64 837.37,-973.8\n+0001af30: 3520 3832 332e 3732 2c2d 3933 322e 3638 5 823.72,-932.68\n+0001af40: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0001af50: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+0001af60: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+0001af70: 6e74 733d 2238 3237 2e30 322c 2d39 3331 nts=\"827.02,-931\n+0001af80: 2e35 3220 3832 302e 3633 2c2d 3932 332e .52 820.63,-923.\n+0001af90: 3037 2038 3230 2e33 362c 2d39 3333 2e36 07 820.36,-933.6\n+0001afa0: 3620 3832 372e 3032 2c2d 3933 312e 3532 6 827.02,-931.52\n+0001afb0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001afc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001afd0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+0001afe0: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+0001aff0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+0001b000: 7574 696c 202d 2d3e 0a3c 6720 6964 3d22 util -->.<g id=\"\n+0001b010: 6564 6765 3138 3122 2063 6c61 7373 3d22 edge181\" class=\"\n+0001b020: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001b030: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b040: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+0001b050: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+0001b060: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+0001b070: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util......module_src_grom\n+0001b210: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+0001b220: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+0001b230: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b240: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n+0001b250: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001b260: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001b270: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001b280: 6179 3d22 352c 3222 2064 3d22 4d31 3035 ay=\"5,2\" d=\"M105\n+0001b290: 332e 3933 2c2d 3131 3438 2e34 3343 3130 3.93,-1148.43C10\n+0001b2a0: 3338 2e38 2c2d 3131 3339 2e38 3820 3130 38.8,-1139.88 10\n+0001b2b0: 3139 2e34 2c2d 3131 3237 2e31 2031 3030 19.4,-1127.1 100\n+0001b2c0: 362c 2d31 3131 312e 3636 2039 3835 2e35 6,-1111.66 985.5\n+0001b2d0: 372c 2d31 3038 382e 3134 2039 3838 2e30 7,-1088.14 988.0\n+0001b2e0: 362c 2d31 3037 372e 3038 2039 3735 2c2d 6,-1077.08 975,-\n+0001b2f0: 3130 3438 2e37 3920 3930 352e 382c 2d38 1048.79 905.8,-8\n+0001b300: 3938 2e38 3620 3931 322e 3033 2c2d 3834 98.86 912.03,-84\n+0001b310: 392e 3732 2038 3238 2c2d 3730 372e 3537 9.72 828,-707.57\n+0001b320: 2037 3036 2e30 352c 2d35 3031 2e32 3720 706.05,-501.27 \n+0001b330: 3439 372c 2d35 3231 2e35 3620 3439 372c 497,-521.56 497,\n+0001b340: 2d32 3831 2e39 3220 3439 372c 2d32 3831 -281.92 497,-281\n+0001b350: 2e39 3220 3439 372c 2d32 3831 2e39 3220 .92 497,-281.92 \n+0001b360: 3439 372c 2d31 3534 2e31 3820 3439 372c 497,-154.18 497,\n+0001b370: 2d39 322e 3231 2035 3733 2e30 312c 2d35 -92.21 573.01,-5\n+0001b380: 362e 3838 2036 3230 2e32 352c 2d34 302e 6.88 620.25,-40.\n+0001b390: 3931 222f 3e0a 3c70 6f6c 7967 6f6e 2066 91\"/>..\n+0001b400: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+0001b480: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001b490: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001b4a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b4b0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n+0001b4c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001b4d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001b4e0: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n+0001b4f0: 3431 2e37 352c 2d31 3135 392e 3333 4331 41.75,-1159.33C1\n+0001b500: 3336 362e 3837 2c2d 3131 3536 2e34 2032 366.87,-1156.4 2\n+0001b510: 3130 332e 3936 2c2d 3131 3434 2e33 3420 103.96,-1144.34 \n+0001b520: 3231 3432 2c2d 3131 3131 2e36 3620 3231 2142,-1111.66 21\n+0001b530: 3637 2e38 382c 2d31 3038 392e 3432 2032 67.88,-1089.42 2\n+0001b540: 3135 372c 2d31 3037 302e 3438 2032 3135 157,-1070.48 215\n+0001b550: 372c 2d31 3033 362e 3336 2032 3135 372c 7,-1036.36 2157,\n+0001b560: 2d31 3033 362e 3336 2032 3135 372c 2d31 -1036.36 2157,-1\n+0001b570: 3033 362e 3336 2032 3135 372c 2d39 3731 036.36 2157,-971\n+0001b580: 2e34 3920 3231 3537 2c2d 3931 322e 3120 .49 2157,-912.1 \n+0001b590: 3231 3637 2e31 342c 2d38 3432 2e36 3820 2167.14,-842.68 \n+0001b5a0: 3231 3732 2e39 382c 2d38 3037 2e36 3222 2172.98,-807.62\"\n+0001b5b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001b5c0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0001b5d0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0001b5e0: 7473 3d22 3231 3736 2e34 372c 2d38 3037 ts=\"2176.47,-807\n+0001b5f0: 2e39 3420 3231 3734 2e37 312c 2d37 3937 .94 2174.71,-797\n+0001b600: 2e35 2032 3136 392e 3537 2c2d 3830 362e .5 2169.57,-806.\n+0001b610: 3737 2032 3137 362e 3437 2c2d 3830 372e 77 2176.47,-807.\n+0001b620: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20 94\"/>.</g>.<!-- \n+0001b630: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b640: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n+0001b650: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n+0001b660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001b670: 696d 696e 6720 2d2d 3e0a 3c67 2069 643d iming -->.<g id=\n+0001b680: 2265 6467 6531 3739 2220 636c 6173 733d \"edge179\" class=\n+0001b690: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001b6a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b6b0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0001b6c0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0001b6d0: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+0001b6e0: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming..\n+0001b820: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n+0001b910: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001b920: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0001b930: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001b940: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0001b950: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+0001bab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001bac0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0001bad0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0001bae0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+0001baf0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+0001bb00: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-0001bf30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001bf40: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-0001bf50: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-0001bf60: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-0001bf70: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util...\n-0001c140: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-0001c190: 6720 6964 3d22 6564 6765 3137 3022 2063 g id=\"edge170\" c\n-0001c1a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001c1c0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0001c1d0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0001c1e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c1f0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-0001c200: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n-0001c3c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001c3d0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-0001c3e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c3f0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-0001c400: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-0001c500: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-0001c550: 3c67 2069 643d 2265 6467 6531 3733 2220 .module_src_\n-0001c580: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-0001c590: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-0001c5a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c5b0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec......module_src_gro\n-0001c770: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-0001c780: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-0001c790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c7a0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n-0001c7b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n-0001ca10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ca20: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-0001ca30: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-0001ca40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001ca50: 6174 683c 2f74 6974 6c65 3e0a 3c70 6174 ath....\n-0001cc70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-0001cca0: 6720 6964 3d22 6e6f 6465 3233 2220 636c g id=\"node23\" cl\n-0001ccb0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0001ccd0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-0001cce0: 616e 616c 7973 6973 3c2f 7469 746c 653e analysis\n-0001ccf0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3233 ...\n-0001cdc0: 3c74 6578 7420 7465 7874 2d61 6e63 686f traject\n-0001ce20: 6f72 7961 6e61 6c79 7369 733c 2f74 6578 oryanalysis......module\n-0001cec0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-0001ced0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n-0001cee0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001cef0: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n-0001cf00: 6f67 793c 2f74 6974 6c65 3e0a 3c70 6174 ogy......\n-0001d140: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0001d150: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-0001d160: 746f 7279 616e 616c 7973 6973 2623 3435 toryanalysis-\n-0001d170: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001d180: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-0001d190: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry...\n-0001d2d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-0001d350: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n-0001d360: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n-0001d370: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001d380: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-0001d390: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om....<\n-0001d490: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001d4a0: 726f 6d61 6373 5f67 6d78 616e 6120 2d2d romacs_gmxana --\n-0001d4b0: 3e0a 3c67 2069 643d 226e 6f64 6532 3422 >..<\n-0001d4d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001d4e0: 5f67 726f 6d61 6373 5f67 6d78 616e 613c _gromacs_gmxana<\n-0001d4f0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>..gmxana....\n-0001d630: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001d640: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n-0001d650: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n-0001d660: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d670: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n-0001d680: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-0001d7b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-0001d830: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0001d840: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n-0001d850: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001d860: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n-0001d870: 696f 6e3c 2f74 6974 6c65 3e0a 3c70 6174 ion..\n-0001d910: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .<\n-0001d980: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-0001d9e0: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n-0001d9f0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...analysisdat\n-0001db20: 613c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f a.....<\n-0001db90: 6720 6964 3d22 6564 6765 3139 3022 2063 g id=\"edge190\" c\n-0001dba0: 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acs_mdtypes</tit\n-0001fce0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001fcf0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0001fd00: 6662 6662 6622 2064 3d22 4d33 3230 322e fbfbf\" d=\"M3202.\n-0001fd10: 3635 2c2d 3131 3438 2e34 3443 3331 3338 65,-1148.44C3138\n-0001fd20: 2e32 322c 2d31 3039 362e 3235 2032 3837 .22,-1096.25 287\n-0001fd30: 342e 372c 2d38 3834 2e32 3920 3237 3832 4.7,-884.29 2782\n-0001fd40: 2c2d 3833 332e 3331 2032 3733 382e 372c ,-833.31 2738.7,\n-0001fd50: 2d38 3039 2e35 2031 3939 372e 3338 2c2d -809.5 1997.38,-\n-0001fd60: 3533 322e 3937 2031 3935 302c 2d35 3138 532.97 1950,-518\n-0001fd70: 2e39 3620 3138 3838 2e35 2c2d 3530 302e .96 1888.5,-500.\n-0001fd80: 3737 2031 3831 352e 362c 2d34 3836 2e32 77 1815.6,-486.2\n-0001fd90: 3220 3137 3730 2e33 322c 2d34 3737 2e39 2 1770.32,-477.9\n-0001fda0: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>.<polygon fi\n-0001fdb0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" 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ysis -->.<g id=\"\n-00020520: 6564 6765 3231 3922 2063 6c61 7373 3d22 edge219\" class=\"\n-00020530: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00020540: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00020550: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00020560: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020570: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n-00020580: 6c79 7369 733c 2f74 6974 6c65 3e0a 3c70 lysis..\n-00020640: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n-00020940: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00020950: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n-00020960: 6c61 7469 6f6e 6675 6e63 7469 6f6e 733c lationfunctions<\n-00020970: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n-00020980: 5f6e 6f64 6532 3922 3e3c 6120 786c 696e _node29\"><a xlin\n-00020990: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n-000209a0: 6f64 756c 655f 5f63 6f72 7265 6c61 7469 odule__correlati\n-000209b0: 6f6e 6675 6e63 7469 6f6e 732e 7868 746d onfunctions.xhtm\n-000209c0: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n-000209d0: 2078 6c69 6e6b 3a74 6974 6c65 3d22 636f xlink:title=\"co\n-000209e0: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n-000209f0: 6e73 223e 0a3c 656c 6c69 7073 6520 6669 ns\">.<ellipse fi\n-00020a00: 6c6c 3d22 2366 6663 6363 6322 2073 7472 ll=\"#ffcccc\" str\n-00020a10: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00020a20: 3331 3739 2220 6379 3d22 2d37 3231 2e30 3179\" cy=\"-721.0\n-00020a30: 3122 2072 783d 2237 312e 3334 2220 7279 1\" rx=\"71.34\" ry\n-00020a40: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-00020a50: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-00020a60: 6464 6c65 2220 783d 2233 3137 3922 2079 ddle\" x=\"3179\" y\n-00020a70: 3d22 2d37 3138 2e35 3122 2066 6f6e 742d =\"-718.51\" font-\n-00020a80: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-00020a90: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-00020aa0: 3030 223e 636f 7272 656c 6174 696f 6e66 00\">correlationf\n-00020ab0: 756e 6374 696f 6e73 3c2f 7465 7874 3e0a unctions</text>.\n-00020ac0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n-00020ad0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020ae0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00020af0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00020b00: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n-00020b10: 7469 6f6e 6675 6e63 7469 6f6e 7320 2d2d tionfunctions --\n-00020b20: 3e0a 3c67 2069 643d 2265 6467 6532 3038 >.<g id=\"edge208\n-00020b30: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00020b40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00020b50: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-00020b60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00020b70: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n-00020b80: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n-00020b90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-00020d80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00020d90: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-00020da0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-00020db0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-00020dc0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......modul\n-00021040: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00021050: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-00021060: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00021070: 6c69 6e65 6172 616c 6765 6272 613c 2f74 linearalgebra</t\n-00021080: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00021090: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000210a0: 2362 6662 6662 6622 2064 3d22 4d33 3138 #bfbfbf\" d=\"M318\n-000210b0: 312e 3834 2c2d 3131 3539 2e30 3443 3331 1.84,-1159.04C31\n-000210c0: 3037 2e39 382c 2d31 3135 362e 3832 2032 07.98,-1156.82 2\n-000210d0: 3933 312e 3235 2c2d 3131 3531 2e35 3920 931.25,-1151.59 \n-000210e0: 3237 3833 2c2d 3131 3437 2e36 3620 3236 2783,-1147.66 26\n-000210f0: 3138 2e34 352c 2d31 3134 332e 3320 3134 18.45,-1143.3 14\n-00021100: 3632 2e32 392c 2d31 3134 392e 3039 2031 62.29,-1149.09 1\n-00021110: 3330 322c 2d31 3131 312e 3636 2031 3134 302,-1111.66 114\n-00021120: 302e 3836 2c2d 3130 3734 2e30 3420 3130 0.86,-1074.04 10\n-00021130: 3732 2e32 312c 2d31 3036 312e 3132 2039 72.21,-1061.12 9\n-00021140: 3831 2c2d 3932 332e 3035 2039 3633 2e34 81,-923.05 963.4\n-00021150: 392c 2d38 3936 2e35 3520 3935 382e 3837 9,-896.55 958.87\n-00021160: 2c2d 3838 392e 3635 2039 3437 2c2d 3836 ,-889.65 947,-86\n-00021170: 302e 3138 2038 3432 2e38 322c 2d36 3031 0.18 842.82,-601\n-00021180: 2e35 3820 3737 332e 3737 2c2d 3236 372e .58 773.77,-267.\n-00021190: 3938 2037 3536 2e33 342c 2d31 3738 2e38 98 756.34,-178.8\n-000211a0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n-000211b0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-000211c0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n-000211d0: 696e 7473 3d22 3735 392e 3737 2c2d 3137 ints=\"759.77,-17\n-000211e0: 382e 3138 2037 3534 2e34 332c 2d31 3639 8.18 754.43,-169\n-000211f0: 2e30 3320 3735 322e 392c 2d31 3739 2e35 .03 752.9,-179.5\n-00021200: 3120 3735 392e 3737 2c2d 3137 382e 3138 1 759.77,-178.18\n-00021210: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00021220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00021230: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00021240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021250: 6373 5f70 6263 7574 696c 202d 2d3e 0a3c cs_pbcutil -->.<\n-00021260: 6720 6964 3d22 6564 6765 3230 3522 2063 g id=\"edge205\" c\n-00021270: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00021280: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00021290: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-000212a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000212b0: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n-000212c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-00021460: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-000214d0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-000214e0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-000214f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00021500: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...<\n-00021650: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-000216c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000216d0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-000216e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000216f0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-00021700: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00021710: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00021720: 6662 6622 2064 3d22 4d33 3232 302e 3033 fbf\" d=\"M3220.03\n-00021730: 2c2d 3131 3437 2e36 3643 3332 3239 2e30 ,-1147.66C3229.0\n-00021740: 322c 2d31 3130 372e 3733 2033 3235 312e 2,-1107.73 3251.\n-00021750: 3936 2c2d 3938 302e 3437 2033 3230 322c 96,-980.47 3202,\n-00021760: 2d38 3936 2e31 3820 3331 3832 2e33 312c -896.18 3182.31,\n-00021770: 2d38 3632 2e39 3520 3331 3735 2e31 342c -862.95 3175.14,\n-00021780: 2d38 3533 2e31 3520 3331 3432 2c2d 3833 -853.15 3142,-83\n-00021790: 332e 3331 2033 3039 302e 3536 2c2d 3830 3.31 3090.56,-80\n-000217a0: 322e 3532 2033 3036 342e 362c 2d38 3236 2.52 3064.6,-826\n-000217b0: 2e30 3720 3330 3132 2c2d 3739 372e 3331 .07 3012,-797.31\n-000217c0: 2032 3939 362e 3239 2c2d 3738 382e 3732 2996.29,-788.72\n-000217d0: 2032 3939 362e 3936 2c2d 3738 302e 3237 2996.96,-780.27\n-000217e0: 2032 3938 322c 2d37 3730 2e34 3420 3239 2982,-770.44 29\n-000217f0: 3530 2e30 392c 2d37 3439 2e34 3720 3239 50.09,-749.47 29\n-00021800: 3236 2e37 352c 2d37 3635 2e31 2032 3930 26.75,-765.1 290\n-00021810: 342c 2d37 3334 2e34 3420 3238 3833 2e33 4,-734.44 2883.3\n-00021820: 342c 2d37 3036 2e36 2032 3837 372e 392c 4,-706.6 2877.9,\n-00021830: 2d36 3032 2e37 3720 3238 3736 2e34 382c -602.77 2876.48,\n-00021840: 2d35 3536 2e32 3322 2f3e 0a3c 706f 6c79 -556.23\"/>.<poly\n-00021850: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-00021860: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-00021870: 6266 2220 706f 696e 7473 3d22 3238 3739 bf\" points=\"2879\n-00021880: 2e39 382c 2d35 3535 2e38 3620 3238 3736 .98,-555.86 2876\n-00021890: 2e32 312c 2d35 3435 2e39 3620 3238 3732 .21,-545.96 2872\n-000218a0: 2e39 382c 2d35 3536 2e30 3520 3238 3739 .98,-556.05 2879\n-000218b0: 2e39 382c 2d35 3535 2e38 3622 2f3e 0a3c .98,-555.86\"/>.<\n-000218c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-000218d0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-000218e0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-000218f0: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n-00021900: 7468 202d 2d3e 0a3c 6720 6964 3d22 6564 th -->.<g id=\"ed\n-00021910: 6765 3230 3422 2063 6c61 7373 3d22 6564 ge204\" class=\"ed\n-00021920: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00021930: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00021940: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n-00021950: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00021960: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math......module_src_gr\n-00021b80: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-00021b90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00021ba0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00021bb0: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70 ocess......module_src_gr\n-00021d60: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-00021d70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00021d80: 7465 7374 7574 696c 733c 2f74 6974 6c65 testutils.....<\n-00021f40: 6720 6964 3d22 6564 6765 3232 3522 2063 g id=\"edge225\" c\n-00021f50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00021f70: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00021f80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00021f90: 7372 635f 6772 6f6d 6163 735f 6f6e 6c69 src_gromacs_onli\n-00021fa0: 6e65 6865 6c70 3c2f 7469 746c 653e 0a3c nehelp.<\n-00021fb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00021fc0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00021fd0: 2220 643d 224d 3336 3336 2e31 392c 2d36 \" d=\"M3636.19,-6\n-00021fe0: 3438 2e32 3843 3336 3638 2e33 322c 2d36 48.28C3668.32,-6\n-00021ff0: 3337 2e38 3320 3337 3231 2e39 372c 2d36 37.83 3721.97,-6\n-00022000: 3230 2e33 3620 3337 3538 2e31 352c 2d36 20.36 3758.15,-6\n-00022010: 3038 2e35 3922 2f3e 0a3c 706f 6c79 676f 08.59\"/>.....module_src_grom\n-00022110: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n-00022120: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00022130: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-00022140: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gr\n-00022300: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-00022310: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00022320: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-00022330: 6374 6f72 793c 2f74 6974 6c65 3e0a 3c70 ctory.....<\n-000224c0: 6720 6964 3d22 6564 6765 3233 3122 2063 g id=\"edge231\" c\n-000224d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000224f0: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00022500: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00022510: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-00022520: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om....\n-00022620: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n-00022690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000226a0: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n-000226b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000226c0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n-000226d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000226e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000226f0: 7265 6422 2064 3d22 4d33 3630 392c 2d36 red\" d=\"M3609,-6\n-00022700: 3434 2e34 3943 3336 3039 2c2d 3632 322e 44.49C3609,-622.\n-00022710: 3039 2033 3630 392c 2d35 3734 2033 3630 09 3609,-574 360\n-00022720: 392c 2d35 3333 2e34 2033 3630 392c 2d35 9,-533.4 3609,-5\n-00022730: 3333 2e34 2033 3630 392c 2d35 3333 2e34 33.4 3609,-533.4\n-00022740: 2033 3630 392c 2d32 3137 2e30 3520 3336 3609,-217.05 36\n-00022750: 3039 2c2d 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6d6f ction->mo\n-00022840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022850: 5f70 6263 7574 696c 202d 2d3e 0a3c 6720 _pbcutil -->.<g \n-00022860: 6964 3d22 6564 6765 3232 3822 2063 6c61 id=\"edge228\" cla\n-00022870: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00022880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00022890: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n-000228a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000228b0: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n-000228c0: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l.....\n-00022a20: 3c67 2069 643d 2265 6467 6532 3234 2220 .module_src_\n-00022a50: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n-00022a60: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-00022a70: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-00022a80: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions.\n-00022af0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 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;module_src_grom\n-00022da0: 6163 735f 6d61 7468 202d 2d3e 0a3c 6720 acs_math -->.<g \n-00022db0: 6964 3d22 6564 6765 3232 3222 2063 6c61 id=\"edge222\" cla\n-00022dc0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00022dd0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00022de0: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n-00022df0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00022e00: 635f 6772 6f6d 6163 735f 6d61 7468 3c2f c_gromacs_math</\n-00022e10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00022e20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00022e30: 2272 6564 2220 643d 224d 3336 3031 2e38 \"red\" d=\"M3601.8\n-00022e40: 342c 2d36 3434 2e36 3643 3335 3936 2e34 4,-644.66C3596.4\n-00022e50: 392c 2d36 3335 2e30 3320 3335 3839 2e32 9,-635.03 3589.2\n-00022e60: 342c 2d36 3231 2e32 3820 3335 3834 2c2d 4,-621.28 3584,-\n-00022e70: 3630 382e 3720 3335 3334 2e30 322c 2d34 608.7 3534.02,-4\n-00022e80: 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3431 2220 636c 6173 733d \"edge241\" class=\n-00023aa0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00023ab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023ac0: 735f 616e 616c 7973 6973 6461 7461 2623 s_analysisdata&#\n-00023ad0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00023ae0: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n-00023af0: 696f 6e3c 2f74 6974 6c65 3e0a 3c70 6174 ion......m\n-00023c60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023c70: 735f 616e 616c 7973 6973 6461 7461 2623 s_analysisdata&#\n-00023c80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00023c90: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-00023ca0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n-00023df0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-00023e70: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n-00023e80: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-00023e90: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-00023ea0: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions..\n-00023f40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n-00023fb0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00024000: 3c67 2069 643d 2265 6467 6532 3430 2220 .module_src_\n-00024030: 6772 6f6d 6163 735f 616e 616c 7973 6973 gromacs_analysis\n-00024040: 6461 7461 2623 3435 3b26 6774 3b6d 6f64 data->mod\n-00024050: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00024060: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-00024070: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00024080: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00024090: 2220 643d 224d 3336 3937 2e34 2c2d 3731 \" d=\"M3697.4,-71\n-000240a0: 312e 3735 4333 3630 312e 3134 2c2d 3639 1.75C3601.14,-69\n-000240b0: 302e 3035 2033 3333 322e 3833 2c2d 3632 0.05 3332.83,-62\n-000240c0: 392e 3834 2033 3130 392c 2d35 3831 2e38 9.84 3109,-581.8\n-000240d0: 3320 3330 3338 2e35 342c 2d35 3636 2e37 3 3038.54,-566.7\n-000240e0: 3220 3239 3535 2e39 342c 2d35 3439 2e37 2 2955.94,-549.7\n-000240f0: 3220 3239 3130 2e34 342c 2d35 3430 2e34 2 2910.44,-540.4\n-00024100: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.....modu\n-000241f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00024200: 6e61 6c79 7369 7364 6174 6126 2334 353b nalysisdata-\n-00024210: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00024220: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math</tit\n-00024230: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00024240: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00024250: 6662 6662 6622 2064 3d22 4d33 3732 312e fbfbf\" d=\"M3721.\n-00024260: 3437 2c2d 3730 372e 3539 4333 3639 332e 47,-707.59C3693.\n-00024270: 3431 2c2d 3637 392e 3737 2033 3632 372e 41,-679.77 3627.\n-00024280: 3733 2c2d 3631 342e 3432 2033 3632 342c 73,-614.42 3624,\n-00024290: 2d36 3038 2e37 2033 3535 302e 3733 2c2d -608.7 3550.73,-\n-000242a0: 3439 362e 3238 2033 3538 392e 3834 2c2d 496.28 3589.84,-\n-000242b0: 3433 352e 3933 2033 3530 372c 2d33 3330 435.93 3507,-330\n-000242c0: 2e33 3520 3334 3830 2e35 372c 2d32 3936 .35 3480.57,-296\n-000242d0: 2e36 3620 3334 3733 2e39 2c2d 3238 332e .66 3473.9,-283.\n-000242e0: 3031 2033 3433 342c 2d32 3637 2e34 3820 01 3434,-267.48 \n-000242f0: 3333 3631 2e39 352c 2d32 3339 2e34 3320 3361.95,-239.43 \n-00024300: 3231 3631 2e32 392c 2d32 3232 2e34 3820 2161.29,-222.48 \n-00024310: 3139 3333 2e39 382c 2d32 3139 2e35 3122 1933.98,-219.51\"\n-00024320: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00024330: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00024340: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-00024350: 7473 3d22 3139 3333 2e39 342c 2d32 3136 ts=\"1933.94,-216\n-00024360: 2e30 3120 3139 3233 2e39 2c2d 3231 392e .01 1923.9,-219.\n-00024370: 3338 2031 3933 332e 3835 2c2d 3232 332e 38 1933.85,-223.\n-00024380: 3031 2031 3933 332e 3934 2c2d 3231 362e 01 1933.94,-216.\n-00024390: 3031 222f 3e0a 3c2f 673e 0a3c 212d 2d20 01\"/>.</g>.<!-- \n-000243a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000243b0: 6373 5f61 6e61 6c79 7369 7364 6174 6126 cs_analysisdata&\n-000243c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000243d0: 7263 5f74 6573 7475 7469 6c73 202d 2d3e rc_testutils -->\n-000243e0: 0a3c 6720 6964 3d22 6564 6765 3233 3722 .<g id=\"edge237\"\n-000243f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00024400: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00024410: 5f67 726f 6d61 6373 5f61 6e61 6c79 7369 _gromacs_analysi\n-00024420: 7364 6174 6126 2334 353b 2667 743b 6d6f sdata->mo\n-00024430: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n-00024440: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls...\n-00024600: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-00024650: 6720 6964 3d22 6564 6765 3234 3522 2063 g id=\"edge245\" c\n-00024660: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00024680: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00024690: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n-000246a0: 655f 7372 635f 6772 6f6d 6163 735f 6f6e e_src_gromacs_on\n-000246b0: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e linehelp\n-000246c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n-00024820: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n-00024830: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024840: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n-00024850: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t....<\n-00024980: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00024990: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-000249a0: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n-000249b0: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-000249c0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->..m\n-000249f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024a00: 735f 636f 6d6d 616e 646c 696e 6526 2334 s_commandline\n-00024a10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024a20: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00024a30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-00024b80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00024b90: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00024ba0: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n-00024bb0: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-00024bc0: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->..m\n-00024bf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024c00: 735f 636f 6d6d 616e 646c 696e 6526 2334 s_commandline\n-00024c10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024c20: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n-00024c30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-00024f80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024f90: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n-00024fa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00024fb0: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n-00024fc0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00024fd0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00024fe0: 6564 2220 643d 224d 3430 3233 2e31 312c ed\" d=\"M4023.11,\n-00024ff0: 2d36 3434 2e37 3143 3339 3731 2e34 2c2d -644.71C3971.4,-\n-00025000: 3538 362e 3834 2033 3734 322e 3832 2c2d 586.84 3742.82,-\n-00025010: 3334 332e 3320 3334 3934 2c2d 3236 372e 343.3 3494,-267.\n-00025020: 3438 2033 3334 302e 3534 2c2d 3232 302e 48 3340.54,-220.\n-00025030: 3732 2032 3136 302e 3333 2c2d 3231 382e 72 2160.33,-218.\n-00025040: 3932 2031 3933 342e 3334 2c2d 3231 392e 92 1934.34,-219.\n-00025050: 3031 222f 3e0a 3c70 6f6c 7967 6f6e 2066 01\"/>.<polygon f\n-00025060: 696c 6c3d 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6526 acs_commandline&\n-00025150: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00025160: 7263 5f74 6573 7475 7469 6c73 3c2f 7469 rc_testutils</ti\n-00025170: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00025180: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00025190: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n-000251a0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-000251b0: 3d22 4d34 3038 362e 3139 2c2d 3635 392e =\"M4086.19,-659.\n-000251c0: 3343 3433 3038 2e34 382c 2d36 3630 2e32 3C4308.48,-660.2\n-000251d0: 3720 3531 3636 2e37 342c 2d36 3636 2e36 7 5166.74,-666.6\n-000251e0: 3620 3532 3036 2c2d 3730 372e 3537 2035 6 5206,-707.57 5\n-000251f0: 3234 312e 3232 2c2d 3734 342e 3237 2035 241.22,-744.27 5\n-00025200: 3038 372e 352c 2d31 3039 372e 3335 2035 087.5,-1097.35 5\n-00025210: 3038 302c 2d31 3134 372e 3636 2035 3037 080,-1147.66 507\n-00025220: 342e 312c 2d31 3138 372e 3233 2035 3035 4.1,-1187.23 505\n-00025230: 382e 3731 2c2d 3132 3039 2e31 3120 3530 8.71,-1209.11 50\n-00025240: 3837 2c2d 3132 3337 2e34 2035 3131 342e 87,-1237.4 5114.\n-00025250: 3137 2c2d 3132 3634 2e35 3720 3533 3639 17,-1264.57 5369\n-00025260: 2e39 362c 2d31 3237 392e 3034 2035 3437 .96,-1279.04 547\n-00025270: 362e 3134 2c2d 3132 3833 2e39 3222 2f3e 6.14,-1283.92\"/>\n-00025280: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00025290: 2332 6363 6332 3822 2073 7472 6f6b 653d #2ccc28\" stroke=\n-000252a0: 2223 3263 6363 3238 2220 706f 696e 7473 \"#2ccc28\" points\n-000252b0: 3d22 3534 3736 2e30 392c 2d31 3238 372e =\"5476.09,-1287.\n-000252c0: 3432 2035 3438 362e 3234 2c2d 3132 3834 42 5486.24,-1284\n-000252d0: 2e33 3820 3534 3736 2e34 2c2d 3132 3830 .38 5476.4,-1280\n-000252e0: 2e34 3320 3534 3736 2e30 392c 2d31 3238 .43 5476.09,-128\n-000252f0: 372e 3432 222f 3e0a 3c2f 673e 0a3c 212d 7.42\"/>.</g>.<!-\n-00025300: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00025310: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n-00025320: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n-00025330: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00025340: 6d61 6373 5f66 6674 202d 2d3e 0a3c 6720 macs_fft -->.<g \n-00025350: 6964 3d22 6564 6765 3235 3322 2063 6c61 id=\"edge253\" cla\n-00025360: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00025370: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00025380: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n-00025390: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n-000253a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000253b0: 6d61 6373 5f66 6674 3c2f 7469 746c 653e macs_fft\n-000253c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-000254a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-00025530: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n-00025540: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n-00025550: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00025560: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n-00025570: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n-000255e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-000256e0: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n-000256f0: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n-00025700: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00025710: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility......module\n-00025980: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n-00025990: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n-000259a0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000259b0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-000259c0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio.\n-00025a60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n-00025b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025b60: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-00025b70: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n-00025b80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025b90: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n-00025ba0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n-00025d50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025d60: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-00025d70: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n-00025d80: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-00025d90: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils....<\n-00025f50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00025f60: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00025f70: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00025f80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00025f90: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069 _gmxlib -->..module_src_grom\n-00025fd0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-00025fe0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00025ff0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00026000: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......\n-00026190: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000261a0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-000261b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000261c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n-000261d0: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan....\n-000263b0: 0a3c 6720 6964 3d22 6564 6765 3235 3822 ..<\n-000263d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000263e0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-000263f0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-00026400: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00026410: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes......mod\n-00026600: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026610: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-00026620: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00026630: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00026640: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n-00026830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00026840: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00026850: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00026860: 5f73 7263 5f67 726f 6d61 6373 5f73 656c _src_gromacs_sel\n-00026870: 6563 7469 6f6e 3c2f 7469 746c 653e 0a3c ection.<\n-00026880: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00026890: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000268a0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000268b0: 6179 3d22 352c 3222 2064 3d22 4d33 3438 ay=\"5,2\" d=\"M348\n-000268c0: 352e 3533 2c2d 3130 3834 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2423.23,-312.89\n-00028390: 2032 3432 322e 342c 2d33 3034 2e38 3322 2422.4,-304.83\"\n-000283a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-000283b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-000283c0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-000283d0: 7473 3d22 3234 3235 2e38 362c 2d33 3034 ts=\"2425.86,-304\n-000283e0: 2e32 3420 3234 3231 2e33 342c 2d32 3934 .24 2421.34,-294\n-000283f0: 2e36 3620 3234 3138 2e38 392c 2d33 3034 .66 2418.89,-304\n-00028400: 2e39 3720 3234 3235 2e38 362c 2d33 3034 .97 2425.86,-304\n-00028410: 2e32 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .24\"/>.</g>.<!--\n-00028420: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00028430: 6163 735f 6d69 6d69 6326 2334 353b 2667 acs_mimic-&g\n-00028440: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00028450: 6d61 6373 5f75 7469 6c69 7479 202d 2d3e macs_utility -->\n-00028460: 0a3c 6720 6964 3d22 6564 6765 3237 3022 .<g id=\"edge270\"\n-00028470: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00028480: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00028490: 5f67 726f 6d61 6373 5f6d 696d 6963 2623 _gromacs_mimic&#\n-000284a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000284b0: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-000284c0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.\n-000285d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n-000286b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 696d _src_gromacs_mim\n-000286c0: 6963 2623 3435 3b26 6774 3b6d 6f64 756c ic->modul\n-000286d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000286e0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_\n+0001bf30: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+0001bf40: 6f6d 2623 3435 3b26 6774 3b6d 6f64 756c om->modul\n+0001bf50: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+0001bf60: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th......mo\n+0001c130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c140: 5f72 616e 646f 6d26 2334 353b 2667 743b _random->\n+0001c150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c160: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n+0001c170: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001c180: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0001c190: 2220 643d 224d 3431 3331 2e34 372c 2d37 \" d=\"M4131.47,-7\n+0001c1a0: 3132 2e32 3243 3431 3735 2e35 2c2d 3639 12.22C4175.5,-69\n+0001c1b0: 372e 3435 2034 3235 392c 2d36 3630 2e39 7.45 4259,-660.9\n+0001c1c0: 3220 3432 3539 2c2d 3539 362e 3237 2034 2 4259,-596.27 4\n+0001c1d0: 3235 392c 2d35 3936 2e32 3720 3432 3539 259,-596.27 4259\n+0001c1e0: 2c2d 3539 362e 3237 2034 3235 392c 2d32 ,-596.27 4259,-2\n+0001c1f0: 3137 2e30 3520 3432 3539 2c2d 3136 322e 17.05 4259,-162.\n+0001c200: 3832 2034 3231 332e 3936 2c2d 3136 302e 82 4213.96,-160.\n+0001c210: 3238 2034 3136 332c 2d31 3431 2e37 3420 28 4163,-141.74 \n+0001c220: 3430 3233 2e32 372c 2d39 302e 3931 2032 4023.27,-90.91 2\n+0001c230: 3933 322e 3532 2c2d 3932 2e33 3320 3237 932.52,-92.33 27\n+0001c240: 3133 2e33 2c2d 3933 2e31 3322 2f3e 0a3c 13.3,-93.13\"/>.<\n+0001c250: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0001c260: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0001c270: 706f 696e 7473 3d22 3237 3133 2e32 332c points=\"2713.23,\n+0001c280: 2d38 392e 3633 2032 3730 332e 3234 2c2d -89.63 2703.24,-\n+0001c290: 3933 2e31 3720 3237 3133 2e32 352c 2d39 93.17 2713.25,-9\n+0001c2a0: 362e 3633 2032 3731 332e 3233 2c2d 3839 6.63 2713.23,-89\n+0001c2b0: 2e36 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .63\"/>.</g>.<!--\n+0001c2c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001c2d0: 6163 735f 7261 6e64 6f6d 2623 3435 3b26 acs_random-&\n+0001c2e0: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0001c2f0: 7374 7574 696c 7320 2d2d 3e0a 3c67 2069 stutils -->.<g i\n+0001c300: 643d 2265 6467 6531 3839 2220 636c 6173 d=\"edge189\" clas\n+0001c310: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001c320: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001c330: 6163 735f 7261 6e64 6f6d 2623 3435 3b26 acs_random-&\n+0001c340: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0001c350: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n+0001c360: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0001c4c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001c4d0: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+0001c4e0: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+0001c4f0: 3535 3134 2e38 372c 2d31 3238 382e 3838 5514.87,-1288.88\n+0001c500: 2035 3532 342e 3932 2c2d 3132 3835 2e35 5524.92,-1285.5\n+0001c510: 3120 3535 3134 2e39 372c 2d31 3238 312e 1 5514.97,-1281.\n+0001c520: 3838 2035 3531 342e 3837 2c2d 3132 3838 88 5514.87,-1288\n+0001c530: 2e38 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .88\"/>...\n+0001c580: 3c67 2069 643d 2265 6467 6531 3934 2220 .module_src_\n+0001c5b0: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+0001c5c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001c5d0: 7263 5f67 726f 6d61 6373 5f6d 6174 683c rc_gromacs_math<\n+0001c5e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...<\n+0001c7d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+0001c820: 6720 6964 3d22 6564 6765 3139 3022 2063 g id=\"edge190\" c\n+0001c830: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001c850: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+0001c860: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001c870: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0001c880: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline....\n+0001ca80: 0a3c 6720 6964 3d22 6564 6765 3139 3622 ..<\n+0001caa0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001cab0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+0001cac0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001cad0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0001cae0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......modu\n+0001ccf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0001cd00: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+0001cd10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001cd20: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n+0001cd30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+0001cec0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0001ced0: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+0001cee0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001cef0: 735f 6c69 6e65 6172 616c 6765 6272 613c s_linearalgebra<\n+0001cf00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001cf10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001cf20: 3d22 2362 6662 6662 6622 2064 3d22 4d32 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3939 372c 2d36 3539 2e31 3420 3239 2997,-659.14 29\n+0001d020: 3937 2c2d 3635 392e 3134 2032 3939 372c 97,-659.14 2997,\n+0001d030: 2d36 3539 2e31 3420 3239 3937 2c2d 3539 -659.14 2997,-59\n+0001d040: 342e 3237 2032 3939 372c 2d34 3736 2e31 4.27 2997,-476.1\n+0001d050: 3120 3330 3231 2e35 2c2d 3433 342e 3132 1 3021.5,-434.12\n+0001d060: 2032 3936 352c 2d33 3330 2e33 3520 3239 2965,-330.35 29\n+0001d070: 3233 2e32 342c 2d32 3533 2e36 3520 3238 23.24,-253.65 28\n+0001d080: 3932 2e35 372c 2d32 3432 2e37 3420 3238 92.57,-242.74 28\n+0001d090: 3134 2c2d 3230 342e 3631 2032 3735 392e 14,-204.61 2759.\n+0001d0a0: 3733 2c2d 3137 382e 3237 2032 3639 312e 73,-178.27 2691.\n+0001d0b0: 3336 2c2d 3136 362e 3138 2032 3634 332e 36,-166.18 2643.\n+0001d0c0: 3731 2c2d 3136 302e 3638 222f 3e0a 3c70 71,-160.68\"/>.<p\n+0001d0d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0001d0e0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0001d0f0: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n+0001d100: 3634 332e 3839 2c2d 3135 372e 3138 2032 643.89,-157.18 2\n+0001d110: 3633 332e 3537 2c2d 3135 392e 3537 2032 633.57,-159.57 2\n+0001d120: 3634 332e 3133 2c2d 3136 342e 3134 2032 643.13,-164.14 2\n+0001d130: 3634 332e 3839 2c2d 3135 372e 3138 222f 643.89,-157.18\"/\n+0001d140: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001d150: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0001d160: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+0001d170: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d180: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n+0001d190: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n+0001d1a0: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n+0001d1b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001d1c0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001d1d0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001d1e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001d1f0: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n+0001d200: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001d210: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001d220: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001d230: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001d240: 4d32 3935 372e 3134 2c2d 3130 3934 2e32 M2957.14,-1094.2\n+0001d250: 3143 3239 3330 2e33 392c 2d31 3039 312e 1C2930.39,-1091.\n+0001d260: 3535 2032 3839 302e 312c 2d31 3038 372e 55 2890.1,-1087.\n+0001d270: 3637 2032 3835 352c 2d31 3038 342e 3739 67 2855,-1084.79\n+0001d280: 2032 3632 362e 3736 2c2d 3130 3636 2e30 2626.76,-1066.0\n+0001d290: 3520 3235 3632 2e36 332c 2d31 3130 362e 5 2562.63,-1106.\n+0001d2a0: 3433 2032 3334 312c 2d31 3034 382e 3739 43 2341,-1048.79\n+0001d2b0: 2032 3036 332e 3337 2c2d 3937 362e 3539 2063.37,-976.59\n+0001d2c0: 2031 3736 312e 3431 2c2d 3739 352e 3333 1761.41,-795.33\n+0001d2d0: 2031 3637 312e 362c 2d37 3338 2e39 3922 1671.6,-738.99\"\n+0001d2e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001d2f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001d300: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+0001d310: 7473 3d22 3136 3733 2e31 392c 2d37 3335 ts=\"1673.19,-735\n+0001d320: 2e38 3620 3136 3632 2e38 372c 2d37 3333 .86 1662.87,-733\n+0001d330: 2e34 3920 3136 3639 2e34 362c 2d37 3431 .49 1669.46,-741\n+0001d340: 2e37 3820 3136 3733 2e31 392c 2d37 3335 .78 1673.19,-735\n+0001d350: 2e38 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .86\"/>.</g>.<!--\n+0001d360: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001d370: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+0001d380: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001d390: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n+0001d3a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001d3b0: 3938 2220 636c 6173 733d 2265 6467 6522 98\" class=\"edge\"\n+0001d3c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001d3d0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+0001d3e0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+0001d3f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001d400: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n+0001d410: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0001d530: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001d540: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001d550: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001d560: 3138 3233 2e34 312c 2d32 3832 2e31 3520 1823.41,-282.15 \n+0001d570: 3138 3133 2e31 352c 2d32 3834 2e38 2031 1813.15,-284.8 1\n+0001d580: 3832 322e 3832 2c2d 3238 392e 3133 2031 822.82,-289.13 1\n+0001d590: 3832 332e 3431 2c2d 3238 322e 3135 222f 823.41,-282.15\"/\n+0001d5a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_src_gro\n+0001d620: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+0001d630: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d640: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec....\n+0001d7e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+0001d850: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+0001d860: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n+0001d870: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d880: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0001d890: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0001d9b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0001da70: 6720 6964 3d22 6564 6765 3139 3722 2063 g id=\"edge197\" c\n+0001da80: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001daa0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+0001dab0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001dac0: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n+0001dad0: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l...\n+0001dc40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+0001dcb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0001dcc0: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+0001dcd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001dce0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+0001dcf0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+0001ded0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001dee0: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+0001def0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001df00: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing</title\n+0001df10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001df20: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001df30: 6662 6622 2064 3d22 4d32 3937 322e 3332 fbf\" d=\"M2972.32\n+0001df40: 2c2d 3130 3836 2e31 3643 3238 3937 2e31 ,-1086.16C2897.1\n+0001df50: 352c 2d31 3032 392e 3434 2032 3535 372e 5,-1029.44 2557.\n+0001df60: 3034 2c2d 3737 322e 3537 2032 3531 322c 04,-772.57 2512,\n+0001df70: 2d37 3334 2e34 3420 3234 3035 2e30 392c -734.44 2405.09,\n+0001df80: 2d36 3433 2e39 3320 3233 3932 2e39 312c -643.93 2392.91,\n+0001df90: 2d36 3034 2e35 3120 3232 3832 2c2d 3531 -604.51 2282,-51\n+0001dfa0: 382e 3936 2032 3234 302e 3433 2c2d 3438 8.96 2240.43,-48\n+0001dfb0: 362e 3920 3232 3331 2e39 392c 2d34 3732 6.9 2231.99,-472\n+0001dfc0: 2e31 3220 3231 3832 2c2d 3435 362e 3039 .12 2182,-456.09\n+0001dfd0: 2032 3033 352e 3333 2c2d 3430 392e 3036 2035.33,-409.06\n+0001dfe0: 2031 3535 302e 3731 2c2d 3430 362e 3936 1550.71,-406.96\n+0001dff0: 2031 3430 362e 372c 2d34 3037 2e34 3122 1406.7,-407.41\"\n+0001e000: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001e010: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0001e020: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0001e030: 7473 3d22 3134 3036 2e35 332c 2d34 3033 ts=\"1406.53,-403\n+0001e040: 2e39 3120 3133 3936 2e35 342c 2d34 3037 .91 1396.54,-407\n+0001e050: 2e34 3520 3134 3036 2e35 352c 2d34 3130 .45 1406.55,-410\n+0001e060: 2e39 3120 3134 3036 2e35 332c 2d34 3033 .91 1406.53,-403\n+0001e070: 2e39 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .91\"/>.</g>.<!--\n+0001e080: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001e090: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+0001e0a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001e0b0: 726f 6d61 6373 5f75 7469 6c69 7479 202d romacs_utility -\n+0001e0c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139 ->.<g id=\"edge19\n+0001e0d0: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n+0001e0e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001e0f0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001e100: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001e110: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+0001e120: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......mo\n+0001e400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e410: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n+0001e420: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n+0001e430: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils....<\n+0001e5a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001e5b0: 726f 6d61 6373 5f68 6172 6477 6172 6526 romacs_hardware&\n+0001e5c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001e5d0: 7263 5f67 726f 6d61 6373 5f73 696d 6420 rc_gromacs_simd \n+0001e5e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+0001e610: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+0001e620: 7761 7265 2623 3435 3b26 6774 3b6d 6f64 ware->mod\n+0001e630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e640: 7369 6d64 3c2f 7469 746c 653e 0a3c 7061 simd....\n+0001e7c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n+0001e830: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+0001e840: 6172 6477 6172 6526 2334 353b 2667 743b ardware->\n+0001e850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e860: 6373 5f63 6f6d 7061 743c 2f74 6974 6c65 cs_compat</title\n+0001e870: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001e880: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001e890: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001e8a0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001e8b0: 3630 382e 3236 2c2d 3634 342e 3838 4335 608.26,-644.88C5\n+0001e8c0: 3837 2e30 392c 2d36 3137 2e35 3720 3533 87.09,-617.57 53\n+0001e8d0: 362e 3738 2c2d 3534 382e 3920 3531 322c 6.78,-548.9 512,\n+0001e8e0: 2d34 3832 2e39 3620 3438 302e 3039 2c2d -482.96 480.09,-\n+0001e8f0: 3339 382e 3036 2034 3737 2c2d 3337 322e 398.06 477,-372.\n+0001e900: 3631 2034 3737 2c2d 3238 312e 3932 2034 61 477,-281.92 4\n+0001e910: 3737 2c2d 3238 312e 3932 2034 3737 2c2d 77,-281.92 477,-\n+0001e920: 3238 312e 3932 2034 3737 2c2d 3135 342e 281.92 477,-154.\n+0001e930: 3138 2034 3737 2c2d 3132 302e 3035 2034 18 477,-120.05 4\n+0001e940: 3638 2e39 372c 2d31 3034 2e30 3520 3439 68.97,-104.05 49\n+0001e950: 322c 2d37 382e 3837 2035 3232 2e34 382c 2,-78.87 522.48,\n+0001e960: 2d34 352e 3535 2035 3734 2e35 362c 2d33 -45.55 574.56,-3\n+0001e970: 342e 3639 2036 3132 2e30 362c 2d33 312e 4.69 612.06,-31.\n+0001e980: 3339 222f 3e0a 3c70 6f6c 7967 6f6e 2066 39\"/>.<polygon f\n+0001e990: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0001e9a0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0001e9b0: 6f69 6e74 733d 2236 3132 2e35 2c2d 3334 oints=\"612.5,-34\n+0001e9c0: 2e38 3720 3632 322e 3232 2c2d 3330 2e36 .87 622.22,-30.6\n+0001e9d0: 3520 3631 312e 3939 2c2d 3237 2e38 3920 5 611.99,-27.89 \n+0001e9e0: 3631 322e 352c 2d33 342e 3837 222f 3e0a 612.5,-34.87\"/>.\n+0001e9f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001ea00: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+0001ea10: 6477 6172 6526 2334 353b 2667 743b 6d6f dware->mo\n+0001ea20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001ea30: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n+0001ea40: 6720 6964 3d22 6564 6765 3230 3622 2063 g id=\"edge206\" c\n+0001ea50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001ea60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001ea70: 726f 6d61 6373 5f68 6172 6477 6172 6526 romacs_hardware&\n+0001ea80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001ea90: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001eaa0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils.\n+0001eb50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0001ebc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n+0001ec40: 6f6d 6163 735f 6861 7264 7761 7265 2623 omacs_hardware&#\n+0001ec50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ec60: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+0001ec70: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.....<\n+0001ede0: 6720 6964 3d22 6564 6765 3231 3122 2063 g id=\"edge211\" c\n+0001edf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001ee10: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+0001ee20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001ee30: 7372 635f 6772 6f6d 6163 735f 6f6e 6c69 src_gromacs_onli\n+0001ee40: 6e65 6865 6c70 3c2f 7469 746c 653e 0a3c nehelp.<\n+0001ee50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001ee60: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001ee70: 2220 643d 224d 3337 3736 2e33 392c 2d36 \" d=\"M3776.39,-6\n+0001ee80: 3435 2e39 3743 3337 3631 2e38 372c 2d36 45.97C3761.87,-6\n+0001ee90: 3336 2e37 3620 3337 3431 2e30 342c 2d36 36.76 3741.04,-6\n+0001eea0: 3233 2e35 3520 3337 3234 2e35 2c2d 3631 23.55 3724.5,-61\n+0001eeb0: 332e 3037 222f 3e0a 3c70 6f6c 7967 6f6e 3.07\"/>..\n+0001ef30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+0001efa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0001efb0: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+0001efc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001efd0: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+0001efe0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n+0001f1b0: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+0001f1c0: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n+0001f1d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f1e0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+0001f1f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001f200: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001f210: 6662 6662 6622 2064 3d22 4d33 3735 382e fbfbf\" d=\"M3758.\n+0001f220: 3239 2c2d 3635 322e 3143 3337 3236 2e34 29,-652.1C3726.4\n+0001f230: 382c 2d36 3436 2e31 3420 3336 3739 2e39 8,-646.14 3679.9\n+0001f240: 382c 2d36 3333 2e36 3920 3336 3437 2c2d 8,-633.69 3647,-\n+0001f250: 3630 382e 3720 3335 3534 2e39 392c 2d35 608.7 3554.99,-5\n+0001f260: 3338 2e39 3920 3335 3936 2e39 332c 2d34 38.99 3596.93,-4\n+0001f270: 3538 2e39 2033 3530 322c 2d33 3933 2e32 58.9 3502,-393.2\n+0001f280: 3220 3334 3536 2e32 2c2d 3336 312e 3533 2 3456.2,-361.53\n+0001f290: 2033 3339 322e 3334 2c2d 3335 302e 3431 3392.34,-350.41\n+0001f2a0: 2033 3334 382e 3132 2c2d 3334 362e 3539 3348.12,-346.59\n+0001f2b0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0001f2c0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+0001f2d0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+0001f2e0: 6e74 733d 2233 3334 382e 3132 2c2d 3334 nts=\"3348.12,-34\n+0001f2f0: 332e 3038 2033 3333 372e 3839 2c2d 3334 3.08 3337.89,-34\n+0001f300: 352e 3831 2033 3334 372e 3539 2c2d 3335 5.81 3347.59,-35\n+0001f310: 302e 3036 2033 3334 382e 3132 2c2d 3334 0.06 3348.12,-34\n+0001f320: 332e 3038 222f 3e0a 3c2f 673e 0a3c 212d 3.08\"/>.</g>.<!-\n+0001f330: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001f340: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+0001f350: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001f360: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+0001f370: 6779 202d 2d3e 0a3c 6720 6964 3d22 6564 gy -->.<g id=\"ed\n+0001f380: 6765 3231 3222 2063 6c61 7373 3d22 6564 ge212\" class=\"ed\n+0001f390: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001f3a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0001f3b0: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+0001f3c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001f3d0: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+0001f3e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f3f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001f400: 6266 6266 6266 2220 643d 224d 3337 3838 bfbfbf\" d=\"M3788\n+0001f410: 2e36 2c2d 3634 342e 3636 4333 3736 352e .6,-644.66C3765.\n+0001f420: 3634 2c2d 3539 332e 3435 2033 3637 302e 64,-593.45 3670.\n+0001f430: 3437 2c2d 3339 382e 3833 2033 3532 322c 47,-398.83 3522,\n+0001f440: 2d33 3330 2e33 3520 3334 3432 2e38 362c -330.35 3442.86,\n+0001f450: 2d32 3933 2e38 3520 3230 3936 2e37 382c -293.85 2096.78,\n+0001f460: 2d32 3833 2e38 3420 3138 3234 2e37 312c -283.84 1824.71,\n+0001f470: 2d32 3832 2e31 3822 2f3e 0a3c 706f 6c79 -282.18\"/>.<poly\n+0001f480: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+0001f490: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+0001f4a0: 6266 2220 706f 696e 7473 3d22 3138 3234 bf\" points=\"1824\n+0001f4b0: 2e34 312c 2d32 3738 2e36 3820 3138 3134 .41,-278.68 1814\n+0001f4c0: 2e33 392c 2d32 3832 2e31 3220 3138 3234 .39,-282.12 1824\n+0001f4d0: 2e33 372c 2d32 3835 2e36 3820 3138 3234 .37,-285.68 1824\n+0001f4e0: 2e34 312c 2d32 3738 2e36 3822 2f3e 0a3c .41,-278.68\"/>.<\n+0001f4f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0001f500: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+0001f510: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n+0001f520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f530: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069 _random -->.<g i\n+0001f540: 643d 2265 6467 6532 3136 2220 636c 6173 d=\"edge216\" clas\n+0001f550: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001f560: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001f570: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+0001f580: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001f590: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n+0001f5a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001f5b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001f5c0: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+0001f5d0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0001f5e0: 2220 643d 224d 3338 3237 2e33 392c 2d36 \" d=\"M3827.39,-6\n+0001f5f0: 3635 2e36 3743 3338 3834 2e39 362c 2d36 65.67C3884.96,-6\n+0001f600: 3736 2e39 3420 3430 3032 2e36 392c 2d36 76.94 4002.69,-6\n+0001f610: 3939 2e39 3820 3430 3634 2e37 312c 2d37 99.98 4064.71,-7\n+0001f620: 3132 2e31 3222 2f3e 0a3c 706f 6c79 676f 12.12\"/>.<polygo\n+0001f630: 6e20 6669 6c6c 3d22 2332 6363 6332 3822 n fill=\"#2ccc28\"\n+0001f640: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+0001f650: 2220 706f 696e 7473 3d22 3430 3634 2e34 \" points=\"4064.4\n+0001f660: 312c 2d37 3135 2e36 3320 3430 3734 2e39 1,-715.63 4074.9\n+0001f670: 2c2d 3731 342e 3131 2034 3036 352e 3736 ,-714.11 4065.76\n+0001f680: 2c2d 3730 382e 3736 2034 3036 342e 3431 ,-708.76 4064.41\n+0001f690: 2c2d 3731 352e 3633 222f 3e0a 3c2f 673e ,-715.63\"/>.</g>\n+0001f6a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001f6b0: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n+0001f6c0: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c on->modul\n+0001f6d0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0001f6e0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n+0001f6f0: 6564 6765 3231 3722 2063 6c61 7373 3d22 edge217\" class=\"\n+0001f700: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001f710: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f720: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+0001f730: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001f740: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+0001f750: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f760: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001f770: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n+0001f780: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001f790: 3d22 4d33 3735 342e 3834 2c2d 3635 352e 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3822 2070 6f69 6e74 733d 2232 3836 312e 8\" points=\"2861.\n+0001f890: 3936 2c2d 3533 362e 3934 2032 3837 312e 96,-536.94 2871.\n+0001f8a0: 3936 2c2d 3533 332e 3432 2032 3836 312e 96,-533.42 2861.\n+0001f8b0: 3935 2c2d 3532 392e 3934 2032 3836 312e 95,-529.94 2861.\n+0001f8c0: 3936 2c2d 3533 362e 3934 222f 3e0a 3c2f 96,-536.94\"/>.</\n+0001f8d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001f8e0: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+0001f8f0: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n+0001f900: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f910: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069 options -->.<g i\n+0001f920: 643d 2265 6467 6532 3130 2220 636c 6173 d=\"edge210\" clas\n+0001f930: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001f940: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001f950: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+0001f960: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001f970: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n+0001f980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+0001f9f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0001fa00: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0001fa10: 706f 696e 7473 3d22 3338 3835 2e31 382c points=\"3885.18,\n+0001fa20: 2d36 3134 2e30 3420 3338 3932 2e34 372c -614.04 3892.47,\n+0001fa30: 2d36 3036 2e33 3420 3338 3831 2e39 372c -606.34 3881.97,\n+0001fa40: 2d36 3037 2e38 3220 3338 3835 2e31 382c -607.82 3885.18,\n+0001fa50: 2d36 3134 2e30 3422 2f3e 0a3c 2f67 3e0a -614.04\"/>..\n+0001fa60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+0001fad0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fae0: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+0001faf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001fb00: 6f6d 6163 735f 7062 6375 7469 6c3c 2f74 omacs_pbcutil</t\n+0001fb10: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001fb20: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001fb30: 2362 6662 6662 6622 2064 3d22 4d33 3736 #bfbfbf\" d=\"M376\n+0001fb40: 332e 3338 2c2d 3634 392e 3533 4333 3634 3.38,-649.53C364\n+0001fb50: 352e 3238 2c2d 3632 302e 3435 2033 3230 5.28,-620.45 320\n+0001fb60: 372e 3636 2c2d 3531 342e 3932 2032 3834 7.66,-514.92 284\n+0001fb70: 322c 2d34 3536 2e30 3920 3236 3938 2e31 2,-456.09 2698.1\n+0001fb80: 362c 2d34 3332 2e39 3520 3235 3235 2e37 6,-432.95 2525.7\n+0001fb90: 372c 2d34 3137 2e33 2032 3434 382e 3238 7,-417.3 2448.28\n+0001fba0: 2c2d 3431 302e 3931 222f 3e0a 3c70 6f6c ,-410.91\"/>.<pol\n+0001fbb0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+0001fbc0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+0001fbd0: 6662 6622 2070 6f69 6e74 733d 2232 3434 fbf\" points=\"244\n+0001fbe0: 382e 3235 2c2d 3430 372e 3339 2032 3433 8.25,-407.39 243\n+0001fbf0: 372e 3939 2c2d 3431 302e 3036 2032 3434 7.99,-410.06 244\n+0001fc00: 372e 3638 2c2d 3431 342e 3337 2032 3434 7.68,-414.37 244\n+0001fc10: 382e 3235 2c2d 3430 372e 3339 222f 3e0a 8.25,-407.39\"/>.\n+0001fc20: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001fc30: 5f73 7263 5f67 726f 6d61 6373 5f73 656c _src_gromacs_sel\n+0001fc40: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d ection->m\n+0001fc50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001fc60: 735f 7574 696c 6974 7920 2d2d 3e0a 3c67 s_utility -->.<g\n+0001fc70: 2069 643d 2265 6467 6532 3038 2220 636c id=\"edge208\" cl\n+0001fc80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001fc90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001fca0: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n+0001fcb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001fcc0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+0001fcd0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty..\n+0001fe20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+0001fe90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fea0: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+0001feb0: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0001fec0: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n+0001fed0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+00020110: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00020120: 5f6d 6473 7061 6e26 2334 353b 2667 743b _mdspan->\n+00020130: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+00020140: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils......modu\n+00020370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00020380: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00020390: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000203a0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+000203b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000204b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000204c0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000204d0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000204e0: 3235 3134 2e35 382c 2d32 3235 2e32 3920 2514.58,-225.29 \n+000204f0: 3235 3234 2e32 352c 2d32 3230 2e39 3720 2524.25,-220.97 \n+00020500: 3235 3133 2e39 392c 2d32 3138 2e33 3120 2513.99,-218.31 \n+00020510: 3235 3134 2e35 382c 2d32 3235 2e32 3922 2514.58,-225.29\"\n+00020520: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_gro\n+000205b0: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n+000205c0: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n+000205d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000205e0: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline......module_src_grom\n+000207a0: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+000207b0: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+000207c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000207d0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+000207e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00020920: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+00020970: 3c67 2069 643d 2265 6467 6532 3235 2220 .module_src_\n+000209a0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+000209b0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+000209c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000209d0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib..<\n+00020a50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00020a60: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00020a70: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00020a80: 3132 3837 2e35 392c 2d31 3033 362e 3437 1287.59,-1036.47\n+00020a90: 2031 3237 372e 3331 2c2d 3130 3339 2e30 1277.31,-1039.0\n+00020aa0: 3420 3132 3836 2e39 352c 2d31 3034 332e 4 1286.95,-1043.\n+00020ab0: 3435 2031 3238 372e 3539 2c2d 3130 3336 45 1287.59,-1036\n+00020ac0: 2e34 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .47\"/>...\n+00020d80: 3c67 2069 643d 2265 6467 6532 3236 2220 .module_src_\n+00020db0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+00020dc0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+00020dd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00020de0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00020df0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..\n+00020f40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+00020fc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020fd0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00020fe0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00020ff0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n+00021000: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c70 ology......modul\n+00021640: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00021650: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00021660: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00021670: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n+00021680: 696c 3c2f 7469 746c 653e 0a3c 7061 7468 il..\n+000217f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+00021870: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00021880: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00021890: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000218a0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+000218b0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.\n+00021980: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+00021a70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021a80: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+00021a90: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+00021aa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021ab0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00021ac0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00021bf0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+00021c20: 0a3c 6720 6964 3d22 6e6f 6465 3235 2220 ..module_src_\n+00021c50: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n+00021c60: 696f 6e66 756e 6374 696f 6e73 3c2f 7469 ionfunctions...correlationfunc\n+00021db0: 7469 6f6e 733c 2f74 6578 743e 0a3c 2f61 tions......module_src_gro\n+00021e50: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n+00021e60: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n+00021e70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021e80: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math......modul\n+00022050: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00022060: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n+00022070: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c ns->modul\n+00022080: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00022090: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+000220a0: 3e0a 3c70 6174 6820 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g>.<!-- module_s\n+00022190: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n+000221a0: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326 lationfunctions&\n+000221b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000221c0: 7263 5f67 726f 6d61 6373 5f66 6674 202d rc_gromacs_fft -\n+000221d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3233 ->.<g id=\"edge23\n+000221e0: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+000221f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00022200: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n+00022210: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326 lationfunctions&\n+00022220: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00022230: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f rc_gromacs_fft</\n+00022240: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00022250: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00022260: 2223 3238 3266 6363 2220 643d 224d 3334 \"#282fcc\" d=\"M34\n+00022270: 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6774 3b6d 6f64 ions->mod\n+00022360: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022370: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n+00022380: 3d22 6564 6765 3233 3322 2063 6c61 7373 =\"edge233\" class\n+00022390: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000223a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000223b0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+000223c0: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n+000223d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000223e0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+000223f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00022400: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00022410: 6662 6622 2064 3d22 4d33 3431 322e 3137 fbf\" d=\"M3412.17\n+00022420: 2c2d 3730 372e 3634 4333 3430 302e 3839 ,-707.64C3400.89\n+00022430: 2c2d 3639 382e 3038 2033 3338 352e 3133 ,-698.08 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dule_src_gromacs\n+00022610: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+00022620: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+000227f0: 0a3c 6720 6964 3d22 6564 6765 3233 3622 ..<\n+00022810: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00022820: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n+00022830: 7469 6f6e 6675 6e63 7469 6f6e 7326 2334 tionfunctions\n+00022840: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00022850: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils..\n+000229c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n+00022ab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00022ac0: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+00022ad0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022ae0: 5f67 6d78 7072 6570 726f 6365 7373 3c2f _gmxpreprocess</\n+00022af0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00022b00: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" 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macs_fft -->.<g \n+00023130: 6964 3d22 6564 6765 3235 3122 2063 6c61 id=\"edge251\" cla\n+00023140: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00023150: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00023160: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+00023170: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00023180: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft</titl\n+00023190: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000231a0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+000231b0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+000231c0: 7272 6179 3d22 352c 3222 2064 3d22 4d33 rray=\"5,2\" d=\"M3\n+000231d0: 3637 352e 3635 2c2d 3131 3437 2e35 3343 675.65,-1147.53C\n+000231e0: 3336 3733 2e37 362c 2d31 3133 322e 3333 3673.76,-1132.33\n+000231f0: 2033 3636 392e 3636 2c2d 3131 3036 2e31 3669.66,-1106.1\n+00023200: 3220 3336 3632 2c2d 3130 3834 2e37 3920 2 3662,-1084.79 \n+00023210: 3336 3438 2e35 392c 2d31 3034 372e 3437 3648.59,-1047.47\n+00023220: 2033 3532 342e 3334 2c2d 3739 342e 3734 3524.34,-794.74\n+00023230: 2033 3439 332c 2d37 3730 2e34 3420 3334 3493,-770.44 34\n+00023240: 3430 2e31 392c 2d37 3239 2e34 3820 3333 40.19,-729.48 33\n+00023250: 3938 2e38 332c 2d37 3736 2e36 3420 3333 98.83,-776.64 33\n+00023260: 3437 2c2d 3733 342e 3434 2033 3333 302e 47,-734.44 3330.\n+00023270: 3533 2c2d 3732 312e 3033 2033 3332 312e 53,-721.03 3321.\n+00023280: 3132 2c2d 3639 382e 3239 2033 3331 362e 12,-698.29 3316.\n+00023290: 3038 2c2d 3638 312e 3322 2f3e 0a3c 706f 08,-681.3\"/>.<po\n+000232a0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n+000232b0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n+000232c0: 2220 706f 696e 7473 3d22 3333 3139 2e34 \" points=\"3319.4\n+000232d0: 352c 2d36 3830 2e33 3520 3333 3133 2e34 5,-680.35 3313.4\n+000232e0: 392c 2d36 3731 2e36 2033 3331 322e 3639 9,-671.6 3312.69\n+000232f0: 2c2d 3638 322e 3136 2033 3331 392e 3435 ,-682.16 3319.45\n+00023300: 2c2d 3638 302e 3335 222f 3e0a 3c2f 673e ,-680.35\"/>.</g>\n+00023310: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00023320: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+00023330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00023340: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00023350: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00023360: 6765 3234 3322 2063 6c61 7373 3d22 6564 ge243\" class=\"ed\n+00023370: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00023380: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00023390: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+000233a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000233b0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+000233c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00023500: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+00023570: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00023580: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+00023590: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000235a0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib......module_src_gr\n+000237a0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+000237b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000237c0: 6772 6f6d 6163 735f 6c69 6e65 6172 616c gromacs_linearal\n+000237d0: 6765 6272 613c 2f74 6974 6c65 3e0a 3c70 gebra.\n+00023950: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+00023ee0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+00023ef0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00023f00: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random......module_\n+000240d0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+000240e0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+000240f0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+00024100: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c70 lling....\n+00024210: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n+000244b0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+000244c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000244d0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000244e0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces....\n+00024640: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+000246b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000246c0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+000246d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+000246e0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......module_src_gro\n+000248d0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+000248e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000248f0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil......\n+00024be0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00024bf0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00024c00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00024c10: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00024c20: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib...<\n+00024d90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00024de0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024df0: 735f 7374 6174 6973 7469 6373 3c2f 7469 s_statistics</ti\n+00024e00: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+00024e10: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00024e20: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+00024e30: 3432 3030 2220 6379 3d22 2d32 3830 2e39 4200\" cy=\"-280.9\n+00024e40: 3222 2072 783d 2233 392e 3722 2072 793d 2\" rx=\"39.7\" ry=\n+00024e50: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+00024e60: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+00024e70: 646c 6522 2078 3d22 3432 3030 2220 793d dle\" x=\"4200\" y=\n+00024e80: 222d 3237 382e 3432 2220 666f 6e74 2d66 \"-278.42\" font-f\n+00024e90: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n+00024ea0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n+00024eb0: 3022 3e73 7461 7469 7374 6963 733c 2f74 0\">statistics</t\n+00024ec0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n+00024ed0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024ee0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00024ef0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00024f00: 6163 735f 7374 6174 6973 7469 6373 202d acs_statistics -\n+00024f10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3234 ->.<g id=\"edge24\n+00024f20: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n+00024f30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00024f40: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+00024f50: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+00024f60: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n+00024f70: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics.\n+00024f80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n+000251a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00025210: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025220: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00025230: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00025240: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+00025250: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00025260: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00025270: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00025280: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00025290: 224d 3337 3132 2e32 362c 2d31 3135 392e \"M3712.26,-1159.\n+000252a0: 3939 4333 3739 382e 3733 2c2d 3131 3539 99C3798.73,-1159\n+000252b0: 2e30 3920 3430 3138 2e35 332c 2d31 3135 .09 4018.53,-115\n+000252c0: 322e 3720 3430 3737 2c2d 3131 3131 2e36 2.7 4077,-1111.6\n+000252d0: 3620 3431 3339 2e31 382c 2d31 3036 382e 6 4139.18,-1068.\n+000252e0: 3031 2034 3131 362e 3937 2c2d 3130 3235 01 4116.97,-1025\n+000252f0: 2e33 3920 3431 3534 2c2d 3935 392e 3035 .39 4154,-959.05\n+00025300: 2034 3231 312e 3131 2c2d 3835 362e 3735 4211.11,-856.75\n+00025310: 2034 3235 372e 3435 2c2d 3834 362e 3339 4257.45,-846.39\n+00025320: 2034 3239 322c 2d37 3334 2e34 3420 3433 4292,-734.44 43\n+00025330: 3337 2e30 392c 2d35 3838 2e33 3320 3433 37.09,-588.33 43\n+00025340: 3831 2e37 382c 2d34 3638 2e31 3320 3432 81.78,-468.13 42\n+00025350: 3634 2c2d 3230 342e 3631 2034 3234 382e 64,-204.61 4248.\n+00025360: 3131 2c2d 3136 392e 3037 2034 3233 382e 11,-169.07 4238.\n+00025370: 3631 2c2d 3135 372e 3438 2034 3230 332c 61,-157.48 4203,\n+00025380: 2d31 3431 2e37 3420 3431 3332 2e38 382c -141.74 4132.88,\n+00025390: 2d31 3130 2e37 3520 3239 3434 2e33 332c -110.75 2944.33,\n+000253a0: 2d39 362e 3234 2032 3731 332e 3632 2c2d -96.24 2713.62,-\n+000253b0: 3933 2e37 3122 2f3e 0a3c 706f 6c79 676f 93.71\"/>.<polygo\n+000253c0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000253d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000253e0: 2220 706f 696e 7473 3d22 3237 3133 2e34 \" points=\"2713.4\n+000253f0: 2c2d 3930 2e32 3120 3237 3033 2e33 362c ,-90.21 2703.36,\n+00025400: 2d39 332e 3620 3237 3133 2e33 332c 2d39 -93.6 2713.33,-9\n+00025410: 372e 3231 2032 3731 332e 342c 2d39 302e 7.21 2713.4,-90.\n+00025420: 3231 222f 3e0a 3c2f 673e 0a3c 212d 2d20 21\"/>.</g>.<!-- \n+00025430: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025440: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00025450: 6c79 7369 7320 2d2d 3e0a 3c67 2069 643d lysis -->.<g id=\n+00025460: 226e 6f64 6534 3822 2063 6c61 7373 3d22 \"node48\" class=\"\n+00025470: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+00025480: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025490: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n+000254a0: 7369 733c 2f74 6974 6c65 3e0a 3c67 2069 sis...trajectoryan\n+000255e0: 616c 7973 6973 3c2f 7465 7874 3e0a 3c2f alysis......module_src_gr\n+00025680: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00025690: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000256a0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+000256b0: 7279 616e 616c 7973 6973 3c2f 7469 746c ryanalysis....\n+00025840: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00025880: 3c67 2069 643d 2265 6467 6532 3535 2220 .module_src_\n+000258b0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+000258c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000258d0: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils...\n+000259e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+00025a30: 655f 7372 635f 6772 6f6d 6163 735f 6d69 e_src_gromacs_mi\n+00025a40: 6d69 633c 2f74 6974 6c65 3e0a 3c65 6c6c mic..mimic\n+00025b00: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ...<\n+00025b50: 6720 6964 3d22 6564 6765 3235 3822 2063 g id=\"edge258\" c\n+00025b60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00025b80: 726f 6d61 6373 5f6d 696d 6963 2623 3435 romacs_mimic-\n+00025b90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025ba0: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math...\n+00025db0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00025e20: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+00025e30: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00025e40: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00025e50: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.....\n+00025fa0: 3c67 2069 643d 2265 6467 6532 3537 2220 .module_src_\n+00025fd0: 6772 6f6d 6163 735f 6d69 6d69 6326 2334 gromacs_mimic\n+00025fe0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00025ff0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00026000: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_\n+00026220: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+00026230: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00026240: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+00026250: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils.<\n+00026260: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00026270: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00026280: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00026290: 3d22 352c 3222 2064 3d22 4d32 3932 2e39 =\"5,2\" d=\"M292.9\n+000262a0: 322c 2d31 3038 342e 3843 3330 312e 3139 2,-1084.8C301.19\n+000262b0: 2c2d 3130 3632 2e37 3620 3331 372c 2d31 ,-1062.76 317,-1\n+000262c0: 3031 352e 3139 2033 3137 2c2d 3937 332e 015.19 317,-973.\n+000262d0: 3439 2033 3137 2c2d 3937 332e 3439 2033 49 317,-973.49 3\n+000262e0: 3137 2c2d 3937 332e 3439 2033 3137 2c2d 17,-973.49 317,-\n+000262f0: 3738 322e 3838 2033 3137 2c2d 3731 392e 782.88 317,-719.\n+00026300: 3531 2033 3939 2e33 362c 2d34 3139 2e36 51 399.36,-419.6\n+00026310: 3920 3433 322c 2d33 3933 2e32 3220 3434 9 432,-393.22 44\n+00026320: 302e 3434 2c2d 3338 362e 3338 2037 3437 0.44,-386.38 747\n+00026330: 2e39 362c 2d33 3539 2e32 3520 3836 382e .96,-359.25 868.\n+00026340: 3336 2c2d 3334 382e 3836 222f 3e0a 3c70 36,-348.86\"/>...\n+00026400: 0a3c 6720 6964 3d22 6564 6765 3235 3922 ..<\n+00026420: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00026430: 5f67 726f 6d61 6373 5f6d 696d 6963 2623 _gromacs_mimic&#\n+00026440: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00026450: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+00026460: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_grom\n+00026670: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00026680: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00026690: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+000266a0: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h..\n+000267e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n+00026a30: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00026a40: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00026a50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00026a60: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib.....<\n+00026c20: 6720 6964 3d22 6564 6765 3237 3222 2063 g id=\"edge272\" c\n+00026c30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00026c50: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00026c60: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00026c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026c80: 6c69 6e65 6172 616c 6765 6272 613c 2f74 linearalgebra......module_src_grom\n+00026e70: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00026e80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00026e90: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n+00026ea0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d...\n+00027020: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+000270a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+000270b0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+000270c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000270d0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+000270e0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity.....\n+00027260: 3c67 2069 643d 2265 6467 6532 3632 2220 .module_src_\n+00027290: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000272a0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+000272b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000272c0: 5f74 6f70 6f6c 6f67 793c 2f74 6974 6c65 _topology......modu\n+000274a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+000274b0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+000274c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000274d0: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n+000274e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000274f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00027500: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00027510: 3830 372e 3735 2c2d 3833 382e 3631 4331 807.75,-838.61C1\n+00027520: 3834 302e 3337 2c2d 3833 312e 3632 2031 840.37,-831.62 1\n+00027530: 3838 362e 3431 2c2d 3831 382e 3831 2031 886.41,-818.81 1\n+00027540: 3932 322c 2d37 3937 2e33 3120 3139 3730 922,-797.31 1970\n+00027550: 2e33 352c 2d37 3638 2e31 2031 3937 312e .35,-768.1 1971.\n+00027560: 372c 2d37 3437 2e31 3520 3230 3132 2c2d 7,-747.15 2012,-\n+00027570: 3730 372e 3537 2032 3132 362e 372c 2d35 707.57 2126.7,-5\n+00027580: 3934 2e39 3320 3231 3335 2e35 2c2d 3534 94.93 2135.5,-54\n+00027590: 312e 3032 2032 3237 322c 2d34 3536 2e30 1.02 2272,-456.0\n+000275a0: 3920 3233 3032 2e36 2c2d 3433 372e 3035 9 2302.6,-437.05\n+000275b0: 2032 3334 312e 3735 2c2d 3432 342e 3036 2341.75,-424.06\n+000275c0: 2032 3337 302c 2d34 3136 2e33 3622 2f3e 2370,-416.36\"/>\n+000275d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000275e0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+000275f0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00027600: 3d22 3233 3731 2e31 2c2d 3431 392e 3639 =\"2371.1,-419.69\n+00027610: 2032 3337 392e 3838 2c2d 3431 332e 3736 2379.88,-413.76\n+00027620: 2032 3336 392e 3332 2c2d 3431 322e 3932 2369.32,-412.92\n+00027630: 2032 3337 312e 312c 2d34 3139 2e36 3922 2371.1,-419.69\"\n+00027640: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00027650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027660: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00027670: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00027680: 5f67 726f 6d61 6373 5f74 6162 6c65 7320 _gromacs_tables \n+00027690: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+000276a0: 3734 2220 636c 6173 733d 2265 6467 6522 74\" class=\"edge\"\n+000276b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000276c0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+000276d0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+000276e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000276f0: 6d61 6373 5f74 6162 6c65 733c 2f74 6974 macs_tables</tit\n+00027700: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00027710: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00027720: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00027730: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00027740: 224d 3137 3739 2e32 392c 2d38 3333 2e34 \"M1779.29,-833.4\n+00027750: 3443 3137 3837 2e34 382c 2d38 3234 2e33 4C1787.48,-824.3\n+00027760: 3220 3137 3937 2e35 332c 2d38 3131 2e31 2 1797.53,-811.1\n+00027770: 3320 3138 3032 2c2d 3739 372e 3331 2031 3 1802,-797.31 1\n+00027780: 3830 352e 3638 2c2d 3738 352e 3935 2031 805.68,-785.95 1\n+00027790: 3830 342e 3634 2c2d 3738 322e 3039 2031 804.64,-782.09 1\n+000277a0: 3830 322c 2d37 3730 2e34 3420 3137 3838 802,-770.44 1788\n+000277b0: 2e35 342c 2d37 3130 2e39 3620 3137 3531 .54,-710.96 1751\n+000277c0: 2e35 332c 2d36 3438 2e34 2031 3733 312e .53,-648.4 1731.\n+000277d0: 3037 2c2d 3631 362e 3933 222f 3e0a 3c70 07,-616.93\"/>.<p\n+000277e0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000277f0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00027800: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00027810: 3733 332e 3733 2c2d 3631 342e 3631 2031 733.73,-614.61 1\n+00027820: 3732 352e 3239 2c2d 3630 382e 3220 3137 725.29,-608.2 17\n+00027830: 3237 2e38 392c 2d36 3138 2e34 3720 3137 27.89,-618.47 17\n+00027840: 3333 2e37 332c 2d36 3134 2e36 3122 2f3e 33.73,-614.61\"/>\n+00027850: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00027860: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00027870: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00027880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00027890: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n+000278a0: 3e0a 3c67 2069 643d 2265 6467 6532 3634 >.<g id=\"edge264\n+000278b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000278c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000278d0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+000278e0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+000278f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027900: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00027910: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00027920: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00027930: 6662 6622 2064 3d22 4d31 3830 392e 3732 fbf\" d=\"M1809.72\n+00027940: 2c2d 3833 392e 3443 3138 3839 2e35 342c ,-839.4C1889.54,\n+00027950: 2d38 3237 2e35 3520 3230 3630 2e32 332c -827.55 2060.23,\n+00027960: 2d38 3032 2e32 3120 3231 3337 2e35 322c -802.21 2137.52,\n+00027970: 2d37 3930 2e37 3422 2f3e 0a3c 706f 6c79 -790.74\"/>.<poly\n+00027980: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00027990: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+000279a0: 6266 2220 706f 696e 7473 3d22 3231 3338 bf\" points=\"2138\n+000279b0: 2e34 312c 2d37 3934 2e31 3420 3231 3437 .41,-794.14 2147\n+000279c0: 2e37 392c 2d37 3839 2e32 3120 3231 3337 .79,-789.21 2137\n+000279d0: 2e33 382c 2d37 3837 2e32 3220 3231 3338 .38,-787.22 2138\n+000279e0: 2e34 312c 2d37 3934 2e31 3422 2f3e 0a3c .41,-794.14\"/>.<\n+000279f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00027a00: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00027a10: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00027a20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00027a30: 6d61 6373 5f74 696d 696e 6720 2d2d 3e0a macs_timing -->.\n+00027a40: 3c67 2069 643d 2265 6467 6532 3639 2220 <g id=\"edge269\" \n+00027a50: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00027a60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00027a70: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00027a80: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00027a90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027aa0: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n+00027ab0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n+00027c60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027c70: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00027c80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00027c90: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+00027ca0: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......module\n+00027e80: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00027e90: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n+00027ea0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00027eb0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n+00027ec0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00027ed0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00027ee0: 2332 3832 6663 6322 2064 3d22 4d31 3738 #282fcc\" d=\"M178\n+00027ef0: 352e 3934 2c2d 3833 342e 3232 4331 3739 5.94,-834.22C179\n+00027f00: 382e 3938 2c2d 3832 352e 3437 2031 3831 8.98,-825.47 181\n+00027f10: 352e 3838 2c2d 3831 322e 3420 3138 3237 5.88,-812.4 1827\n+00027f20: 2c2d 3739 372e 3331 2031 3931 392e 3734 ,-797.31 1919.74\n+00027f30: 2c2d 3637 312e 3438 2031 3935 372c 2d36 ,-671.48 1957,-6\n+00027f40: 3236 2e38 3320 3139 3537 2c2d 3437 302e 26.83 1957,-470.\n+00027f50: 3533 2031 3935 372c 2d34 3730 2e35 3320 53 1957,-470.53 \n+00027f60: 3139 3537 2c2d 3437 302e 3533 2031 3935 1957,-470.53 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5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00028060: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00028070: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00028080: 635f 7465 7374 7574 696c 7320 2d2d 3e0a c_testutils -->.\n+00028090: 3c67 2069 643d 2265 6467 6532 3735 2220 <g id=\"edge275\" \n+000280a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000280b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000280c0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000280d0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+000280e0: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n+000280f0: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......module_src_gr\n+00028320: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+00028330: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00028340: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math......mo\n+000284d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000284e0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n+000284f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00028500: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00028510: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00028520: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00028530: 6266 6266 2220 643d 224d 3238 3732 2e32 bfbf\" d=\"M2872.2\n+00028540: 382c 2d35 3239 2e39 3143 3237 3237 2e39 8,-529.91C2727.9\n+00028550: 382c 2d35 3231 2e38 3620 3230 3431 2e34 8,-521.86 2041.4\n+00028560: 362c 2d34 3833 2e35 3920 3138 3534 2e32 6,-483.59 1854.2\n+00028570: 352c 2d34 3733 2e31 3622 2f3e 0a3c 706f 5,-473.16\"/>.<po\n+00028580: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+00028590: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+000285a0: 6266 6266 2220 706f 696e 7473 3d22 3138 bfbf\" points=\"18\n+000285b0: 3534 2e33 352c 2d34 3639 2e36 3620 3138 54.35,-469.66 18\n+000285c0: 3434 2e31 372c 2d34 3732 2e36 2031 3835 44.17,-472.6 185\n+000285d0: 332e 3936 2c2d 3437 362e 3635 2031 3835 3.96,-476.65 185\n+000285e0: 342e 3335 2c2d 3436 392e 3636 222f 3e0a 4.35,-469.66\"/>.\n+000285f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00028600: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00028610: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+00028620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00028630: 696e 6561 7261 6c67 6562 7261 202d 2d3e inearalgebra -->\n+00028640: 0a3c 6720 6964 3d22 6564 6765 3238 3322 .<g id=\"edge283\"\n+00028650: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00028660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00028670: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n+00028680: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00028690: 7263 5f67 726f 6d61 6373 5f6c 696e 6561 rc_gromacs_linea\n+000286a0: 7261 6c67 6562 7261 3c2f 7469 746c 653e ralgebra\n+000286b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+000287c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+00028830: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00028840: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n 00028850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00028860: 6373 5f6d 696d 6963 2623 3435 3b26 6774 cs_mimic->\n-00028870: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00028880: 6163 735f 6d61 7468 202d 2d3e 0a3c 6720 acs_math -->.<g \n-00028890: 6964 3d22 6564 6765 3236 3922 2063 6c61 id=\"edge269\" cla\n-000288a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000288b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000288c0: 6d61 6373 5f6d 696d 6963 2623 3435 3b26 macs_mimic-&\n-000288d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000288e0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n-000288f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path 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6f69 6e74 733d 2231 3931 352e 3534 points=\"1915.54\n-000289f0: 2c2d 3233 362e 3237 2031 3930 362e 3532 ,-236.27 1906.52\n-00028a00: 2c2d 3233 302e 3732 2031 3931 302e 3131 ,-230.72 1910.11\n-00028a10: 2c2d 3234 302e 3639 2031 3931 352e 3534 ,-240.69 1915.54\n-00028a20: 2c2d 3233 362e 3237 222f 3e0a 3c2f 673e ,-236.27\"/>.</g>\n-00028a30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00028a40: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00028a50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00028a60: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n-00028a70: 6174 202d 2d3e 0a3c 6720 6964 3d22 6564 at -->.<g id=\"ed\n-00028a80: 6765 3237 3522 2063 6c61 7373 3d22 6564 ge275\" class=\"ed\n-00028a90: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00028aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00028ab0: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n-00028ac0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00028ad0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-00028ae0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-00028bb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00028c20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00028c30: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n-00028c40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00028c50: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n-00028c60: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00028d30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n-00028da0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00028db0: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n-00028dc0: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n-00028dd0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......module\n-000290b0: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n-000290c0: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n-000290d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000290e0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib....<\n-00029200: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00029210: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n-00029220: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00029230: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n-00029240: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n-00029270: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n-00029280: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00029290: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-000292a0: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy..\n-000293d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-000294c0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-000294d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000294e0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes......modul\n-00029670: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n-00029680: 6170 2623 3435 3b26 6774 3b6d 6f64 756c ap->modul\n-00029690: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n-000296a0: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming......module_src_grom\n-00029b10: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n-00029b20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00029b30: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility......\n-00029d50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00029d60: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n-00029d70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00029d80: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil</titl\n-00029d90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00029da0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00029db0: 6266 6266 2220 643d 224d 3136 3737 2e34 bfbf\" d=\"M1677.4\n-00029dc0: 362c 2d31 3038 392e 3035 4331 3638 312e 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6669 6c6c itle>.<path fill\n+00028880: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00028890: 2362 6662 6662 6622 2064 3d22 4d32 3932 #bfbfbf\" d=\"M292\n+000288a0: 342e 3934 2c2d 3532 382e 3439 4332 3939 4.94,-528.49C299\n+000288b0: 312e 3134 2c2d 3532 302e 3835 2033 3136 1.14,-520.85 316\n+000288c0: 322e 3531 2c2d 3439 392e 3637 2033 3138 2.51,-499.67 318\n+000288d0: 322c 2d34 3832 2e39 3620 3332 3133 2e39 2,-482.96 3213.9\n+000288e0: 322c 2d34 3535 2e35 3920 3331 3835 2e33 2,-455.59 3185.3\n+000288f0: 2c2d 3432 352e 3731 2033 3231 322c 2d33 ,-425.71 3212,-3\n+00028900: 3933 2e32 3220 3332 3234 2e37 312c 2d33 93.22 3224.71,-3\n+00028910: 3737 2e37 3520 3332 3433 2e37 332c 2d33 77.75 3243.73,-3\n+00028920: 3636 2e32 3620 3332 3630 2e35 362c 2d33 66.26 3260.56,-3\n+00028930: 3538 2e33 3622 2f3e 0a3c 706f 6c79 676f 58.36\"/>.<polygo\n+00028940: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00028950: 2073 7472 6f6b 653d 2223 6266 6266 6266 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6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00028a50: 6373 5f74 6f70 6f6c 6f67 793c 2f74 6974 cs_topology</tit\n+00028a60: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00028a70: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00028a80: 6662 6662 6622 2064 3d22 4d32 3838 332e fbfbf\" d=\"M2883.\n+00028a90: 3137 2c2d 3532 312e 3339 4332 3834 312e 17,-521.39C2841.\n+00028aa0: 3931 2c2d 3439 352e 3738 2032 3732 362e 91,-495.78 2726.\n+00028ab0: 3939 2c2d 3432 372e 3439 2032 3632 322c 99,-427.49 2622,\n+00028ac0: 2d33 3933 2e32 3220 3233 3239 2e39 342c -393.22 2329.94,\n+00028ad0: 2d32 3937 2e38 3920 3139 3535 2e37 392c -297.89 1955.79,\n+00028ae0: 2d32 3833 2e39 3820 3138 3234 2e38 332c -283.98 1824.83,\n+00028af0: 2d32 3832 2e31 3222 2f3e 0a3c 706f 6c79 -282.12\"/>.<poly\n+00028b00: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00028b10: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00028b20: 6266 2220 706f 696e 7473 3d22 3138 3234 bf\" points=\"1824\n+00028b30: 2e37 372c 2d32 3738 2e36 3220 3138 3134 .77,-278.62 1814\n+00028b40: 2e37 332c 2d32 3832 2031 3832 342e 3638 .73,-282 1824.68\n+00028b50: 2c2d 3238 352e 3632 2031 3832 342e 3737 ,-285.62 1824.77\n+00028b60: 2c2d 3237 382e 3632 222f 3e0a 3c2f 673e ,-278.62\"/>.</g>\n+00028b70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00028b80: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n+00028b90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00028ba0: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n+00028bb0: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467 n -->.<g id=\"edg\n+00028bc0: 6532 3834 2220 636c 6173 733d 2265 6467 e284\" class=\"edg\n+00028bd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00028be0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00028bf0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n+00028c00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00028c10: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c mdspan.<\n+00028c20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00028c30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00028c40: 2220 643d 224d 3239 3131 2e36 342c 2d35 \" d=\"M2911.64,-5\n+00028c50: 3230 2e31 3943 3239 3435 2e39 382c 2d34 20.19C2945.98,-4\n+00028c60: 3838 2e37 3820 3330 3430 2e35 312c 2d33 88.78 3040.51,-3\n+00028c70: 3935 2e35 3320 3330 3732 2c2d 3239 342e 95.53 3072,-294.\n+00028c80: 3335 2033 3038 342e 3232 2c2d 3235 352e 35 3084.22,-255.\n+00028c90: 3120 3330 3737 2e38 352c 2d32 3036 2e35 1 3077.85,-206.5\n+00028ca0: 3220 3330 3732 2e33 2c2d 3137 382e 3637 2 3072.3,-178.67\n+00028cb0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>....\n+00028d90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00028da0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00028db0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+00028dc0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+00028dd0: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util.\n+00028e70: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00028f30: 6720 6964 3d22 6564 6765 3238 3222 2063 g id=\"edge282\" c\n+00028f40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00028f60: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+00028f70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00028f80: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+00028f90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+00029050: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+000290c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+00029130: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00029140: 696c 6569 6f26 2334 353b 2667 743b 6d6f ileio->mo\n+00029150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00029160: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+00029170: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00029250: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+000295e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+000295f0: 6573 7472 6169 6e74 3c2f 7469 746c 653e estraint\n+00029600: 0a3c 6720 6964 3d22 615f 6e6f 6465 3330 ...restraint<\n+00029720: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n+00029730: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+000297b0: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n+000297c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000297d0: 5f67 726f 6d61 6373 5f6d 6174 683c 2f74 _gromacs_math......modul\n+00029a10: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+00029a20: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n+00029a30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00029a40: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00029a50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00029a60: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00029a70: 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2073 7472 ll=\"#bfbfbf\" str\n+00029b60: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00029b70: 696e 7473 3d22 3138 3339 2e39 392c 2d34 ints=\"1839.99,-4\n+00029b80: 3831 2e37 3820 3138 3239 2e34 362c 2d34 81.78 1829.46,-4\n+00029b90: 3830 2e36 3720 3138 3337 2c2d 3438 382e 80.67 1837,-488.\n+00029ba0: 3131 2031 3833 392e 3939 2c2d 3438 312e 11 1839.99,-481.\n+00029bb0: 3738 222f 3e0a 3c2f 673e 0a3c 212d 2d20 78\"/>.</g>.<!-- \n+00029bc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00029bd0: 6373 5f72 6573 7472 6169 6e74 2623 3435 cs_restraint-\n+00029be0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00029bf0: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+00029c00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3238 ->.<g id=\"edge28\n+00029c10: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+00029c20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00029c30: 7263 5f67 726f 6d61 6373 5f72 6573 7472 rc_gromacs_restr\n+00029c40: 6169 6e74 2623 3435 3b26 6774 3b6d 6f64 aint->mod\n+00029c50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00029c60: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+00029c70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00029c80: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00029c90: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00029ca0: 6179 3d22 352c 3222 2064 3d22 4d32 3339 ay=\"5,2\" d=\"M239\n+00029cb0: 372e 3535 2c2d 3130 3331 2e36 3643 3232 7.55,-1031.66C22\n+00029cc0: 3638 2e31 372c 2d31 3032 312e 3833 2031 68.17,-1021.83 1\n+00029cd0: 3832 312e 3532 2c2d 3938 372e 3839 2031 821.52,-987.89 1\n+00029ce0: 3637 372e 3239 2c2d 3937 362e 3933 222f 677.29,-976.93\"/\n+00029cf0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....mod\n-00029ff0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002a000: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-0002a010: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002a020: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib....<\n-0002a130: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002a140: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n-0002a150: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002a160: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n-0002a170: 3e0a 3c67 2069 643d 2265 6467 6532 3737 >..\n-0002a190: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0002a1a0: 635f 6772 6f6d 6163 735f 7377 6170 2623 c_gromacs_swap&#\n-0002a1b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002a1c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-0002a1d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-0002a300: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n-0002a370: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n-0002a380: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002a390: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0002a3a0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io..\n-0002a4a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n-0002a580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002a590: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n-0002a5a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002a5b0: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n-0002a5c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002a5d0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0002a5e0: 2220 643d 224d 3136 3239 2e38 2c2d 3130 \" d=\"M1629.8,-10\n-0002a5f0: 3934 2e39 3743 3135 3635 2e31 322c 2d31 94.97C1565.12,-1\n-0002a600: 3038 392e 3238 2031 3430 332e 3935 2c2d 089.28 1403.95,-\n-0002a610: 3130 3733 2e30 3320 3133 3536 2c2d 3130 1073.03 1356,-10\n-0002a620: 3438 2e37 3920 3133 3230 2e34 312c 2d31 48.79 1320.41,-1\n-0002a630: 3033 302e 3820 3133 3130 2e35 352c 2d31 030.8 1310.55,-1\n-0002a640: 3032 312e 3232 2031 3239 322c 2d39 3835 021.22 1292,-985\n-0002a650: 2e39 3220 3132 3630 2e34 342c 2d39 3235 .92 1260.44,-925\n-0002a660: 2e38 3420 3132 3733 2e32 352c 2d38 3939 .84 1273.25,-899\n-0002a670: 2e37 3720 3132 3837 2c2d 3833 332e 3331 .77 1287,-833.31\n-0002a680: 2031 3239 362e 3336 2c2d 3738 382e 3038 1296.36,-788.08\n-0002a690: 2031 3330 372e 3836 2c2d 3737 392e 3236 1307.86,-779.26\n-0002a6a0: 2031 3331 392c 2d37 3334 2e34 3420 3133 1319,-734.44 13\n-0002a6b0: 3536 2e32 2c2d 3538 342e 3738 2031 3334 56.2,-584.78 134\n-0002a6c0: 352e 312c 2d35 3432 2e39 3620 3133 3832 5.1,-542.96 1382\n-0002a6d0: 2c2d 3339 332e 3232 2031 3339 362e 3237 ,-393.22 1396.27\n-0002a6e0: 2c2d 3333 352e 3239 2031 3338 302e 3235 ,-335.29 1380.25\n-0002a6f0: 2c2d 3330 312e 3837 2031 3432 392c 2d32 ,-301.87 1429,-2\n-0002a700: 3637 2e34 3820 3134 3938 2e30 372c 2d32 67.48 1498.07,-2\n-0002a710: 3138 2e37 3620 3137 3631 2e33 332c 2d32 18.76 1761.33,-2\n-0002a720: 3137 2e31 3620 3138 3539 2e36 362c 2d32 17.16 1859.66,-2\n-0002a730: 3138 2e33 3322 2f3e 0a3c 706f 6c79 676f 18.33\"/>....<\n-0002a800: 6720 6964 3d22 6564 6765 3238 3822 2063 g id=\"edge288\" c\n-0002a810: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0002a830: 726f 6d61 6373 5f6c 696e 6561 7261 6c67 romacs_linearalg\n-0002a840: 6562 7261 2623 3435 3b26 6774 3b6d 6f64 ebra->mod\n-0002a850: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002a860: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-0002a870: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0002a980: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n-0002aa00: 6f6d 6163 735f 7062 6375 7469 6c26 2334 omacs_pbcutil\n-0002aa10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002aa20: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0002aa30: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......module_\n-0002ab90: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-0002aba0: 7469 6c26 2334 353b 2667 743b 6d6f 6475 til->modu\n-0002abb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0002abc0: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n-0002abd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n-0002ad30: 6163 735f 7062 6375 7469 6c26 2334 353b acs_pbcutil-\n-0002ad40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002ad50: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0002ad60: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_\n-0002aec0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-0002aed0: 7469 6c26 2334 353b 2667 743b 6d6f 6475 til->modu\n-0002aee0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-0002aef0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-0002af00: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002af10: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0002af20: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0002af30: 6179 3d22 352c 3222 2064 3d22 4d32 3139 ay=\"5,2\" 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5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0002b890: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......module_src_gro\n-0002b9f0: 6d61 6373 5f6f 7074 696f 6e73 2623 3435 macs_options-\n-0002ba00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002ba10: 7465 7374 7574 696c 733c 2f74 6974 6c65 testutils......modul\n-0002bc90: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0002bca0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0002bcb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002bcc0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.\n-0002bd90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n-0002be70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002be80: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0002be90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002bea0: 6163 735f 7461 626c 6573 3c2f 7469 746c acs_tables</titl\n-0002beb0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0002bec0: 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3432 2c2d 3737 -781.35 1642,-77\n-0002bfb0: 302e 3434 2031 3630 372e 3636 2c2d 3639 0.44 1607.66,-69\n-0002bfc0: 332e 3435 2031 3532 302e 362c 2d36 3336 3.45 1520.6,-636\n-0002bfd0: 2e32 3920 3134 3735 2e37 312c 2d36 3130 .29 1475.71,-610\n-0002bfe0: 2e38 3622 2f3e 0a3c 706f 6c79 676f 6e20 .86\"/>.<polygon \n-0002bff0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-0002c000: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0002c010: 706f 696e 7473 3d22 3134 3737 2e32 342c points=\"1477.24,\n-0002c020: 2d36 3037 2e37 3120 3134 3636 2e38 2c2d -607.71 1466.8,-\n-0002c030: 3630 352e 3932 2031 3437 332e 3835 2c2d 605.92 1473.85,-\n-0002c040: 3631 332e 3833 2031 3437 372e 3234 2c2d 613.83 1477.24,-\n-0002c050: 3630 372e 3731 222f 3e0a 3c2f 673e 0a3c 607.71\"/>.</g>.<\n-0002c060: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002c070: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-0002c080: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002c090: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-0002c0a0: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->.<g id=\n-0002c0b0: 2265 6467 6533 3132 2220 636c 6173 733d \"edge312\" class=\n-0002c0c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0002c0d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002c0e0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0002c0f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002c100: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-0002c110: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-0002c270: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002c280: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-0002c290: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002c2a0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n-0002c2b0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->..modul\n-0002c2e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0002c2f0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0002c300: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002c310: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-0002c320: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-0002c4d0: 3c67 2069 643d 2265 6467 6533 3230 2220 .module_src_\n-0002c500: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-0002c510: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002c520: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-0002c530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n-0002c6c0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0002c6d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002c6e0: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology...\n-0002c830: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-0002c8a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0002c8b0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0002c8c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0002c8d0: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh......module_src_grom\n-0002ca60: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-0002ca70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0002ca80: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes...\n-0002cc00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n-0002cc70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002cc80: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-0002cc90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002cca0: 735f 7472 616a 6563 746f 7279 3c2f 7469 s_trajectory</ti\n-0002ccb0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0002ccc0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0002ccd0: 6266 6266 6266 2220 643d 224d 3136 3336 bfbfbf\" d=\"M1636\n-0002cce0: 2e38 2c2d 3130 3330 2e37 3443 3137 3734 .8,-1030.74C1774\n-0002ccf0: 2e34 322c 2d31 3031 312e 3336 2032 3431 .42,-1011.36 241\n-0002cd00: 322e 3931 2c2d 3931 312e 3632 2032 3837 2.91,-911.62 287\n-0002cd10: 322c 2d36 3731 2e35 3720 3330 3433 2e33 2,-671.57 3043.3\n-0002cd20: 342c 2d35 3831 2e39 3820 3330 3830 2e38 4,-581.98 3080.8\n-0002cd30: 382c 2d35 3436 2e37 3220 3332 3237 2c2d 8,-546.72 3227,-\n-0002cd40: 3432 302e 3039 2033 3234 372e 3134 2c2d 420.09 3247.14,-\n-0002cd50: 3430 322e 3634 2033 3236 372e 3934 2c2d 402.64 3267.94,-\n-0002cd60: 3338 302e 3333 2033 3238 312e 3938 2c2d 380.33 3281.98,-\n-0002cd70: 3336 342e 3534 222f 3e0a 3c70 6f6c 7967 364.54\"/>.<polyg\n-0002cd80: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0002cd90: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0002cda0: 6622 2070 6f69 6e74 733d 2233 3238 342e f\" points=\"3284.\n-0002cdb0: 3639 2c2d 3336 362e 3736 2033 3238 382e 69,-366.76 3288.\n-0002cdc0: 3636 2c2d 3335 362e 3934 2033 3237 392e 66,-356.94 3279.\n-0002cdd0: 3433 2c2d 3336 322e 3134 2033 3238 342e 43,-362.14 3284.\n-0002cde0: 3639 2c2d 3336 362e 3736 222f 3e0a 3c2f 69,-366.76\"/>.</\n-0002cdf0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0002ce00: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0002ce10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002ce20: 7372 635f 6772 6f6d 6163 735f 7469 6d69 src_gromacs_timi\n-0002ce30: 6e67 202d 2d3e 0a3c 6720 6964 3d22 6564 ng -->.<g id=\"ed\n-0002ce40: 6765 3239 3922 2063 6c61 7373 3d22 6564 ge299\" class=\"ed\n-0002ce50: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0002ce60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0002ce70: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-0002ce80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002ce90: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n-0002cea0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002ceb0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0002cec0: 2220 643d 224d 3135 3930 2e37 362c 2d31 \" d=\"M1590.76,-1\n-0002ced0: 3032 352e 3431 4331 3537 332e 3932 2c2d 025.41C1573.92,-\n-0002cee0: 3130 3136 2e39 3220 3135 3439 2e34 372c 1016.92 1549.47,\n-0002cef0: 2d31 3030 322e 3934 2031 3533 322c 2d39 -1002.94 1532,-9\n-0002cf00: 3835 2e39 3220 3134 3235 2e39 362c 2d38 85.92 1425.96,-8\n-0002cf10: 3832 2e36 2031 3437 322e 3838 2c2d 3738 82.6 1472.88,-78\n-0002cf20: 382e 3634 2031 3334 392c 2d37 3037 2e35 8.64 1349,-707.5\n-0002cf30: 3720 3132 3934 2e35 372c 2d36 3731 2e39 7 1294.57,-671.9\n-0002cf40: 3520 3832 362e 3136 2c2d 3634 342e 3732 5 826.16,-644.72\n-0002cf50: 2037 3732 2c2d 3630 382e 3720 3735 382e 772,-608.7 758.\n-0002cf60: 3036 2c2d 3539 392e 3433 2036 3837 2e33 06,-599.43 687.3\n-0002cf70: 312c 2d34 3633 2e33 3920 3638 322c 2d34 1,-463.39 682,-4\n-0002cf80: 3536 2e30 3920 3637 342e 3436 2c2d 3434 56.09 674.46,-44\n-0002cf90: 352e 3731 2036 3634 2e39 322c 2d34 3335 5.71 664.92,-435\n-0002cfa0: 2e31 3620 3635 362e 3537 2c2d 3432 362e .16 656.57,-426.\n-0002cfb0: 3537 222f 3e0a 3c70 6f6c 7967 6f6e 2066 57\"/>.....module_src_gro\n-0002d0a0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0002d0b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002d0c0: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm...\n-0002d200: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n-0002d270: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002d280: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0002d290: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002d2a0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-0002d2b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-0002d3c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-0002d4a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0002d4b0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0002d4c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0002d4d0: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat....module_src_gr\n+0002a000: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n+0002a010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002a020: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0002a030: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..<\n+0002a100: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0002a110: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0002a120: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0002a130: 3232 3138 2e32 352c 2d37 3835 2e32 3720 2218.25,-785.27 \n+0002a140: 3232 3037 2e38 382c 2d37 3837 2e34 3220 2207.88,-787.42 \n+0002a150: 3232 3137 2e33 332c 2d37 3932 2e32 3120 2217.33,-792.21 \n+0002a160: 3232 3138 2e32 352c 2d37 3835 2e32 3722 2218.25,-785.27\"\n+0002a170: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />..\n+0002a1c0: 0a3c 6720 6964 3d22 6564 6765 3239 3122 ..<\n+0002a1e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002a1f0: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n+0002a200: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+0002a210: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+0002a220: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility..\n+0002a320: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0002a3e0: 6720 6964 3d22 6564 6765 3239 3222 2063 g id=\"edge292\" c\n+0002a3f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002a410: 726f 6d61 6373 5f6f 7074 696f 6e73 2623 romacs_options&#\n+0002a420: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002a430: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0002a440: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0002a4e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+0002a5a0: 3c67 2069 643d 2265 6467 6532 3933 2220 .module_src_\n+0002a5d0: 6772 6f6d 6163 735f 6f70 7469 6f6e 7326 gromacs_options&\n+0002a5e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002a5f0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+0002a600: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......module_src_grom\n+0002a7c0: 6163 735f 6f70 7469 6f6e 7326 2334 353b acs_options-\n+0002a7d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+0002a7e0: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n+0002a7f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+0002aa70: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n+0002aa80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002aa90: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math....<\n+0002ac00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002ac10: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n+0002ac20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002ac30: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+0002ac40: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+0002ac70: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+0002ac80: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n+0002ac90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0002aca0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes...<\n+0002ae00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+0002ae70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0002ae80: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+0002ae90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002aea0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib..\n+0002af40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .<\n+0002afb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+0002b020: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0002b030: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n+0002b040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0002b050: 696d 643c 2f74 6974 6c65 3e0a 3c70 6174 imd..\n+0002b130: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0002b1f0: 6720 6964 3d22 6564 6765 3330 3522 2063 g id=\"edge305\" c\n+0002b200: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002b220: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n+0002b230: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002b240: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+0002b250: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+0002b420: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0002b430: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+0002b440: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b450: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+0002b460: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002b470: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0002b480: 224d 3834 392e 3032 2c2d 3931 322e 3843 \"M849.02,-912.8C\n+0002b490: 3937 352e 3631 2c2d 3932 312e 3838 2031 975.61,-921.88 1\n+0002b4a0: 3434 302e 3539 2c2d 3935 362e 3539 2031 440.59,-956.59 1\n+0002b4b0: 3538 372e 3337 2c2d 3936 372e 3922 2f3e 587.37,-967.9\"/>\n+0002b4c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+0002b5a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b5b0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n+0002b5c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002b5d0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n+0002b5e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002b5f0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0002b600: 6662 6622 2064 3d22 4d37 3837 2e31 342c fbf\" d=\"M787.14,\n+0002b610: 2d39 3034 2e32 3343 3735 392e 3039 2c2d -904.23C759.09,-\n+0002b620: 3839 382e 3633 2037 3137 2e37 2c2d 3838 898.63 717.7,-88\n+0002b630: 362e 3332 2036 3932 2c2d 3836 302e 3138 6.32 692,-860.18\n+0002b640: 2036 3636 2e31 382c 2d38 3333 2e39 3120 666.18,-833.91 \n+0002b650: 3633 362e 3031 2c2d 3732 372e 3934 2036 636.01,-727.94 6\n+0002b660: 3233 2e36 392c 2d36 3831 2e33 3322 2f3e 23.69,-681.33\"/>\n+0002b670: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0002b680: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0002b690: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0002b6a0: 3d22 3632 372e 3035 2c2d 3638 302e 3337 =\"627.05,-680.37\n+0002b6b0: 2036 3231 2e31 342c 2d36 3731 2e35 3820 621.14,-671.58 \n+0002b6c0: 3632 302e 3238 2c2d 3638 322e 3134 2036 620.28,-682.14 6\n+0002b6d0: 3237 2e30 352c 2d36 3830 2e33 3722 2f3e 27.05,-680.37\"/>\n+0002b6e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0002b6f0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0002b700: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n+0002b710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0002b720: 6973 7465 645f 666f 7263 6573 202d 2d3e isted_forces -->\n+0002b730: 0a3c 6720 6964 3d22 6564 6765 3330 3722 .<g id=\"edge307\"\n+0002b740: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0002b750: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002b760: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+0002b770: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002b780: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+0002b790: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a _forces.\n+0002b7a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+0002b900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0002b910: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+0002b920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b930: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+0002b940: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+0002bae0: 3c67 2069 643d 2265 6467 6533 3038 2220 .module_src_\n+0002bb10: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+0002bb20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002bb30: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n+0002bb40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n+0002bce0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0002bd50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002bd60: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+0002bd70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002bd80: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+0002bd90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002bda0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0002bdb0: 6662 6622 2064 3d22 4d38 3439 2e38 372c fbf\" d=\"M849.87,\n+0002bdc0: 2d39 3038 2e39 3943 3937 362e 3539 2c2d -908.99C976.59,-\n+0002bdd0: 3931 302e 3032 2031 3434 352e 3335 2c2d 910.02 1445.35,-\n+0002bde0: 3931 302e 3035 2031 3832 372c 2d38 3630 910.05 1827,-860\n+0002bdf0: 2e31 3820 3139 3433 2e34 372c 2d38 3434 .18 1943.47,-844\n+0002be00: 2e39 3620 3230 3738 2e37 312c 2d38 3131 .96 2078.71,-811\n+0002be10: 2e31 3820 3231 3431 2e35 342c 2d37 3934 .18 2141.54,-794\n+0002be20: 2e35 3322 2f3e 0a3c 706f 6c79 676f 6e20 .53\"/>.<polygon \n+0002be30: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+0002be40: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+0002be50: 706f 696e 7473 3d22 3231 3432 2e35 392c points=\"2142.59,\n+0002be60: 2d37 3937 2e38 3720 3231 3531 2e33 352c -797.87 2151.35,\n+0002be70: 2d37 3931 2e39 3120 3231 3430 2e37 382c -791.91 2140.78,\n+0002be80: 2d37 3931 2e31 3120 3231 3432 2e35 392c -791.11 2142.59,\n+0002be90: 2d37 3937 2e38 3722 2f3e 0a3c 2f67 3e0a -797.87\"/>.</g>.\n+0002bea0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0002beb0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+0002bec0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002bed0: 5f67 726f 6d61 6373 5f74 696d 696e 6720 _gromacs_timing \n+0002bee0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+0002bef0: 3031 2220 636c 6173 733d 2265 6467 6522 01\" class=\"edge\"\n+0002bf00: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0002bf10: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+0002bf20: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n+0002bf30: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+0002bf40: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing...\n+0002c0a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+0002c110: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002c120: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n+0002c130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002c140: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n+0002c150: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002c160: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0002c170: 6266 6266 2220 643d 224d 3831 372e 3638 bfbf\" d=\"M817.68\n+0002c180: 2c2d 3839 352e 3934 4338 3139 2e31 362c ,-895.94C819.16,\n+0002c190: 2d38 3731 2e34 3920 3832 332e 3233 2c2d -871.49 823.23,-\n+0002c1a0: 3831 362e 3138 2038 3332 2c2d 3737 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module_src\n+0002c290: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+0002c2a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002c2b0: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+0002c2c0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n+0002c2d0: 6532 3935 2220 636c 6173 733d 2265 6467 e295\" class=\"edg\n+0002c2e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0002c2f0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0002c300: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n+0002c310: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+0002c320: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+0002c330: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002c340: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0002c350: 2220 643d 224d 3831 362e 3637 2c2d 3839 \" d=\"M816.67,-89\n+0002c360: 352e 3837 4338 3136 2e34 332c 2d38 3836 5.87C816.43,-886\n+0002c370: 2e31 2038 3136 2e31 332c 2d38 3732 2e32 .1 816.13,-872.2\n+0002c380: 3920 3831 362c 2d38 3630 2e31 3820 3831 9 816,-860.18 81\n+0002c390: 352e 3838 2c2d 3834 382e 3234 2038 3135 5.88,-848.24 815\n+0002c3a0: 2e35 382c 2d38 3435 2e32 3520 3831 362c .58,-845.25 816,\n+0002c3b0: 2d38 3333 2e33 3120 3831 372e 3536 2c2d -833.31 817.56,-\n+0002c3c0: 3738 392e 3239 2038 3231 2e34 342c 2d37 789.29 821.44,-7\n+0002c3d0: 3738 2e34 3720 3832 332c 2d37 3334 2e34 78.47 823,-734.4\n+0002c3e0: 3420 3832 352e 3432 2c2d 3636 362e 3032 4 825.42,-666.02\n+0002c3f0: 2038 3330 2e35 352c 2d36 3434 2e30 3620 830.55,-644.06 \n+0002c400: 3830 322c 2d35 3831 2e38 3320 3739 332e 802,-581.83 793.\n+0002c410: 3332 2c2d 3536 322e 3920 3738 312e 3436 32,-562.9 781.46\n+0002c420: 2c2d 3536 342e 3339 2037 3732 2c2d 3534 ,-564.39 772,-54\n+0002c430: 352e 3833 2037 3433 2e32 332c 2d34 3839 5.83 743.23,-489\n+0002c440: 2e33 3920 3733 372c 2d34 3731 2e30 3120 .39 737,-471.01 \n+0002c450: 3733 372c 2d34 3037 2e36 3620 3733 372c 737,-407.66 737,\n+0002c460: 2d34 3037 2e36 3620 3733 372c 2d34 3037 -407.66 737,-407\n+0002c470: 2e36 3620 3733 372c 2d32 3137 2e30 3520 .66 737,-217.05 \n+0002c480: 3733 372c 2d31 3639 2e38 3120 3736 382e 737,-169.81 768.\n+0002c490: 3632 2c2d 3136 302e 3433 2038 3132 2c2d 62,-160.43 812,-\n+0002c4a0: 3134 312e 3734 2038 3938 2e37 342c 2d31 141.74 898.74,-1\n+0002c4b0: 3034 2e33 3820 3233 3737 2e33 322c 2d39 04.38 2377.32,-9\n+0002c4c0: 342e 3838 2032 3633 362e 3431 2c2d 3933 4.88 2636.41,-93\n+0002c4d0: 2e35 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .5\"/>.....modul\n+0002c5b0: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n+0002c5c0: 6375 7469 6c26 2334 353b 2667 743b 6d6f cutil->mo\n+0002c5d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002c5e0: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math......\n+0002c730: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0002c740: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n+0002c750: 6c26 2334 353b 2667 743b 6d6f 6475 6c65 l->module\n+0002c760: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n+0002c770: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d......modu\n+0002c8d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0002c8e0: 6263 7574 696c 2623 3435 3b26 6774 3b6d bcutil->m\n+0002c8f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002c900: 735f 7472 616a 6563 746f 7279 3c2f 7469 s_trajectory</ti\n+0002c910: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0002c920: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0002c930: 6266 6266 6266 2220 643d 224d 3234 3338 bfbfbf\" d=\"M2438\n+0002c940: 2e31 352c 2d34 3033 2e35 3243 3235 3730 .15,-403.52C2570\n+0002c950: 2e31 372c 2d33 3934 2e35 2033 3038 342e .17,-394.5 3084.\n+0002c960: 312c 2d33 3539 2e33 3520 3332 3437 2e31 1,-359.35 3247.1\n+0002c970: 2c2d 3334 382e 3222 2f3e 0a3c 706f 6c79 ,-348.2\"/>.<poly\n+0002c980: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+0002c990: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+0002c9a0: 6266 2220 706f 696e 7473 3d22 3332 3437 bf\" points=\"3247\n+0002c9b0: 2e35 392c 2d33 3531 2e36 3720 3332 3537 .59,-351.67 3257\n+0002c9c0: 2e33 332c 2d33 3437 2e35 2033 3234 372e .33,-347.5 3247.\n+0002c9d0: 3131 2c2d 3334 342e 3639 2033 3234 372e 11,-344.69 3247.\n+0002c9e0: 3539 2c2d 3335 312e 3637 222f 3e0a 3c2f 59,-351.67\"/>.</\n+0002c9f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0002ca00: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n+0002ca10: 696c 2623 3435 3b26 6774 3b6d 6f64 756c il->modul\n+0002ca20: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+0002ca30: 706f 6c6f 6779 202d 2d3e 0a3c 6720 6964 pology -->.<g id\n+0002ca40: 3d22 6564 6765 3330 3922 2063 6c61 7373 =\"edge309\" class\n+0002ca50: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0002ca60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002ca70: 6373 5f70 6263 7574 696c 2623 3435 3b26 cs_pbcutil-&\n+0002ca80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002ca90: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology</\n+0002caa0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0002cab0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0002cac0: 2223 6266 6266 6266 2220 643d 224d 3233 \"#bfbfbf\" d=\"M23\n+0002cad0: 3739 2e31 322c 2d34 3030 2e31 3843 3232 79.12,-400.18C22\n+0002cae0: 3739 2e31 362c 2d33 3830 2e35 3520 3139 79.16,-380.55 19\n+0002caf0: 3338 2e33 382c 2d33 3133 2e36 3120 3138 38.38,-313.61 18\n+0002cb00: 3138 2e38 352c 2d32 3930 2e31 3322 2f3e 18.85,-290.13\"/>\n+0002cb10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0002cb20: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0002cb30: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0002cb40: 3d22 3138 3139 2e34 362c 2d32 3836 2e36 =\"1819.46,-286.6\n+0002cb50: 3920 3138 3038 2e39 372c 2d32 3838 2e31 9 1808.97,-288.1\n+0002cb60: 3920 3138 3138 2e31 312c 2d32 3933 2e35 9 1818.11,-293.5\n+0002cb70: 3620 3138 3139 2e34 362c 2d32 3836 2e36 6 1819.46,-286.6\n+0002cb80: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 9\"/>.</g>.<!-- m\n+0002cb90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002cba0: 735f 7062 6375 7469 6c26 2334 353b 2667 s_pbcutil-&g\n+0002cbb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002cbc0: 6d61 6373 5f67 7075 5f75 7469 6c73 202d macs_gpu_utils -\n+0002cbd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3331 ->.<g id=\"edge31\n+0002cbe0: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n+0002cbf0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0002cc00: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n+0002cc10: 696c 2623 3435 3b26 6774 3b6d 6f64 756c il->modul\n+0002cc20: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+0002cc30: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+0002cc40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module\n+0002cd90: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+0002cda0: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+0002cdb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002cdc0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+0002cdd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n+0002cef0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+0002cf60: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+0002cf70: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+0002cf80: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+0002cf90: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n+0002d140: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0002d1b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002d1c0: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+0002d1d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d1e0: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n+0002d1f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002d200: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0002d210: 2220 643d 224d 3137 3137 2e36 392c 2d35 \" d=\"M1717.69,-5\n+0002d220: 3831 2e36 3443 3137 3139 2e37 362c 2d35 81.64C1719.76,-5\n+0002d230: 3535 2e32 3920 3137 3237 2e39 332c 2d34 55.29 1727.93,-4\n+0002d240: 3933 2e37 3920 3137 3630 2c2d 3435 362e 93.79 1760,-456.\n+0002d250: 3039 2031 3838 312e 3635 2c2d 3331 332e 09 1881.65,-313.\n+0002d260: 3038 2031 3935 382e 3038 2c2d 3332 312e 08 1958.08,-321.\n+0002d270: 3133 2032 3133 382c 2d32 3637 2e34 3820 13 2138,-267.48 \n+0002d280: 3232 3732 2e31 392c 2d32 3237 2e34 3720 2272.19,-227.47 \n+0002d290: 3234 3430 2e31 322c 2d32 3230 2e32 3820 2440.12,-220.28 \n+0002d2a0: 3235 3133 2e36 332c 2d32 3139 2e31 3522 2513.63,-219.15\"\n+0002d2b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....module_src_gr\n+0002d560: 6f6d 6163 735f 7461 626c 6573 2623 3435 omacs_tables-\n+0002d570: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002d580: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd....\n-0002d6b0: 0a3c 6720 6964 3d22 6564 6765 3332 3122 ..<\n-0002d6d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002d6e0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-0002d6f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002d700: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n-0002d710: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-0002d920: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0002d930: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0002d940: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002d950: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n-0002d960: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware...\n-0002dad0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-0002db40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002db50: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0002db60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002db70: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline</\n-0002db80: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0002db90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0002dba0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n-0002dbb0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0002dbc0: 3d22 4d31 3633 372e 3034 2c2d 3130 3331 =\"M1637.04,-1031\n-0002dbd0: 2e33 3443 3138 3631 2e33 312c 2d31 3030 .34C1861.31,-100\n-0002dbe0: 362e 3320 3334 3130 2e30 362c 2d38 3332 6.3 3410.06,-832\n-0002dbf0: 2e39 3120 3336 3135 2c2d 3739 372e 3331 .91 3615,-797.31\n-0002dc00: 2033 3633 302e 3333 2c2d 3739 342e 3635 3630.33,-794.65\n-0002dc10: 2033 3837 332e 3339 2c2d 3733 392e 3820 3873.39,-739.8 \n-0002dc20: 3338 3838 2c2d 3733 342e 3434 2033 3933 3888,-734.44 393\n-0002dc30: 312e 3235 2c2d 3731 382e 3539 2033 3937 1.25,-718.59 397\n-0002dc40: 382e 3035 2c2d 3639 322e 3736 2034 3030 8.05,-692.76 400\n-0002dc50: 362e 3639 2c2d 3637 352e 3836 222f 3e0a 6.69,-675.86\"/>.\n-0002dc60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n-0002dc70: 6c61 636b 2220 7374 726f 6b65 3d22 626c lack\" stroke=\"bl\n-0002dc80: 6163 6b22 2070 6f69 6e74 733d 2234 3030 ack\" points=\"400\n-0002dc90: 382e 3533 2c2d 3637 382e 3834 2034 3031 8.53,-678.84 401\n-0002dca0: 352e 3333 2c2d 3637 302e 3731 2034 3030 5.33,-670.71 400\n-0002dcb0: 342e 3935 2c2d 3637 322e 3832 2034 3030 4.95,-672.82 400\n-0002dcc0: 382e 3533 2c2d 3637 382e 3834 222f 3e0a 8.53,-678.84\"/>.\n-0002dcd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0002dce0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0002dcf0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0002dd00: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-0002dd10: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n-0002dd20: 2265 6467 6533 3034 2220 636c 6173 733d \"edge304\" class=\n-0002dd30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0002dd40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002dd50: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0002dd60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002dd70: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n-0002dd80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0002dd90: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0002dda0: 3266 6363 2220 643d 224d 3135 3831 2e36 2fcc\" d=\"M1581.6\n-0002ddb0: 392c 2d31 3033 342e 3334 4331 3436 382e 9,-1034.34C1468.\n-0002ddc0: 3036 2c2d 3130 3333 2e35 3720 3130 3334 06,-1033.57 1034\n-0002ddd0: 2e39 372c 2d31 3032 332e 3831 2036 3938 .97,-1023.81 698\n-0002dde0: 2c2d 3932 332e 3035 2036 3337 2e36 362c ,-923.05 637.66,\n-0002ddf0: 2d39 3035 2e30 3120 3631 392e 3631 2c2d -905.01 619.61,-\n-0002de00: 3930 302e 3233 2035 3731 2c2d 3836 302e 900.23 571,-860.\n-0002de10: 3138 2034 3934 2e31 342c 2d37 3936 2e38 18 494.14,-796.8\n-0002de20: 3520 3437 342e 3739 2c2d 3736 382e 3033 5 474.79,-768.03\n-0002de30: 2034 3530 2c2d 3637 312e 3537 2034 3139 450,-671.57 419\n-0002de40: 2e37 392c 2d35 3534 2034 3735 2e35 382c .79,-554 475.58,\n-0002de50: 2d31 3938 2e32 3920 3538 332c 2d31 3431 -198.29 583,-141\n-0002de60: 2e37 3420 3633 392e 3435 2c2d 3131 322e .74 639.45,-112.\n-0002de70: 3033 2032 3731 352e 3432 2c2d 3935 2e38 03 2715.42,-95.8\n-0002de80: 3420 3330 3236 2e32 332c 2d39 332e 3538 4 3026.23,-93.58\n-0002de90: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0002dea0: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0002deb0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0002dec0: 6e74 733d 2233 3032 362e 3536 2c2d 3937 nts=\"3026.56,-97\n-0002ded0: 2e30 3820 3330 3336 2e35 332c 2d39 332e .08 3036.53,-93.\n-0002dee0: 3531 2033 3032 362e 3531 2c2d 3930 2e30 51 3026.51,-90.0\n-0002def0: 3820 3330 3236 2e35 362c 2d39 372e 3038 8 3026.56,-97.08\n-0002df00: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0002df10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002df20: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-0002df30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002df40: 735f 7062 6375 7469 6c20 2d2d 3e0a 3c67 s_pbcutil -->.<g\n-0002df50: 2069 643d 2265 6467 6533 3036 2220 636c id=\"edge306\" cl\n-0002df60: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0002df70: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0002df80: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-0002df90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002dfa0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil</\n-0002dfb0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0002dfc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0002dfd0: 2223 6266 6266 6266 2220 643d 224d 3136 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6475 6c65 b->module\n-0002e1b0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0002e1c0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld...\n-0002e2a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-0002e310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002e320: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-0002e330: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002e340: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n-0002e350: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n-0002e4d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0002e4e0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0002e4f0: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n-0002e500: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md....\n-0002e660: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n-0002e6a0: 0a3c 6720 6964 3d22 6564 6765 3331 3922 ..<\n-0002e6c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002e6d0: 5f67 726f 6d61 6373 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726f t;module_src_gro\n-00031ff0: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c macs_nbnxm -->.<\n-00032000: 6720 6964 3d22 6564 6765 3335 3522 2063 g id=\"edge355\" c\n-00032010: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00032020: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00032030: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00032040: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00032050: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm</\n-00032060: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00032070: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00032080: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00032090: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-000320a0: 2064 3d22 4d31 3330 352e 3832 2c2d 3936 d=\"M1305.82,-96\n-000320b0: 352e 3636 4331 3239 352e 3238 2c2d 3936 5.66C1295.28,-96\n-000320c0: 332e 3333 2031 3238 332e 3633 2c2d 3936 3.33 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353b 2667 743b _domdec->\n-00032640: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00032650: 6373 5f75 7469 6c69 7479 202d 2d3e 0a3c cs_utility -->.<\n-00032660: 6720 6964 3d22 6564 6765 3334 3722 2063 g id=\"edge347\" c\n-00032670: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00032680: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00032690: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-000326a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000326b0: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-000326c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00032820: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-00032890: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-00032900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00032910: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-00032920: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00032930: 5f70 6263 7574 696c 3c2f 7469 746c 653e 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romacs_coordinat\n-000335d0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000335e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-000335f0: 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 opology -->..module_src_grom\n-00033630: 6163 735f 636f 6f72 6469 6e61 7465 696f acs_coordinateio\n-00033640: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00033650: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-00033660: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy..\n-00033790: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00033810: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6f _src_gromacs_coo\n-00033820: 7264 696e 6174 6569 6f26 2334 353b 2667 rdinateio-&g\n-00033830: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00033840: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n-00033850: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00033860: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00033870: 3d22 7265 6422 2064 3d22 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6f72 6469 6e61 7465 696f 2623 s_coordinateio&#\n-00033a50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00033a60: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00033a70: 746f 7279 616e 616c 7973 6973 3c2f 7469 toryanalysis</ti\n-00033a80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00033a90: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00033aa0: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n-00033ab0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00033ac0: 3d22 4d33 3534 332e 3432 2c2d 3733 342e =\"M3543.42,-734.\n-00033ad0: 3643 3335 3434 2e39 392c 2d37 3431 2e39 6C3544.99,-741.9\n-00033ae0: 3420 3335 3435 2e39 332c 2d37 3531 2e34 4 3545.93,-751.4\n-00033af0: 3320 3335 3436 2e30 362c 2d37 3630 2e30 3 3546.06,-760.0\n-00033b00: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n-00033b10: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n-00033b20: 6f6b 653d 2223 3263 6363 3238 2220 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\"edge\">.<title>m\n+0002d870: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d880: 735f 7461 626c 6573 2623 3435 3b26 6774 s_tables->\n+0002d890: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002d8a0: 6163 735f 6f70 7469 6f6e 733c 2f74 6974 acs_options</tit\n+0002d8b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0002d8c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0002d8d0: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+0002d8e0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0002d8f0: 224d 3137 3437 2e34 392c 2d35 3935 2e39 \"M1747.49,-595.9\n+0002d900: 3543 3139 3238 2e34 322c 2d35 3939 2e39 5C1928.42,-599.9\n+0002d910: 3420 3238 3739 2e35 372c 2d36 3230 2e34 4 2879.57,-620.4\n+0002d920: 3120 3336 3536 2c2d 3632 362e 3720 3337 1 3656,-626.7 37\n+0002d930: 3434 2e34 342c 2d36 3237 2e34 3220 3337 44.44,-627.42 37\n+0002d940: 3639 2e33 352c 2d36 3438 2e37 3520 3338 69.35,-648.75 38\n+0002d950: 3535 2c2d 3632 362e 3720 3338 3636 2e31 55,-626.7 3866.1\n+0002d960: 312c 2d36 3233 2e38 3420 3338 3737 2e33 1,-623.84 3877.3\n+0002d970: 382c 2d36 3138 2e33 2033 3838 362e 3933 8,-618.3 3886.93\n+0002d980: 2c2d 3631 322e 3636 222f 3e0a 3c70 6f6c ,-612.66\"/>.<pol\n+0002d990: 7967 6f6e 2066 696c 6c3d 2223 3263 6363 ygon fill=\"#2ccc\n+0002d9a0: 3238 2220 7374 726f 6b65 3d22 2332 6363 28\" stroke=\"#2cc\n+0002d9b0: 6332 3822 2070 6f69 6e74 733d 2233 3838 c28\" points=\"388\n+0002d9c0: 382e 3837 2c2d 3631 352e 3537 2033 3839 8.87,-615.57 389\n+0002d9d0: 352e 3439 2c2d 3630 372e 3331 2033 3838 5.49,-607.31 388\n+0002d9e0: 352e 3136 2c2d 3630 392e 3634 2033 3838 5.16,-609.64 388\n+0002d9f0: 382e 3837 2c2d 3631 352e 3537 222f 3e0a 8.87,-615.57\"/>.\n+0002da00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0002da10: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n+0002da20: 6c65 7326 2334 353b 2667 743b 6d6f 6475 les->modu\n+0002da30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+0002da40: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->.<g id\n+0002da50: 3d22 6564 6765 3331 3622 2063 6c61 7373 =\"edge316\" class\n+0002da60: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0002da70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002da80: 6373 5f74 6162 6c65 7326 2334 353b 2667 cs_tables-&g\n+0002da90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002daa0: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+0002dab0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0002dac0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0002dad0: 3238 3266 6363 2220 643d 224d 3137 3132 282fcc\" d=\"M1712\n+0002dae0: 2e31 332c 2d35 3831 2e37 3743 3136 3938 .13,-581.77C1698\n+0002daf0: 2e35 2c2d 3534 352e 3635 2031 3636 312c .5,-545.65 1661,\n+0002db00: 2d34 3337 2e37 3820 3136 3631 2c2d 3334 -437.78 1661,-34\n+0002db10: 342e 3739 2031 3636 312c 2d33 3434 2e37 4.79 1661,-344.7\n+0002db20: 3920 3136 3631 2c2d 3334 342e 3739 2031 9 1661,-344.79 1\n+0002db30: 3636 312c 2d32 3137 2e30 3520 3136 3631 661,-217.05 1661\n+0002db40: 2c2d 3137 352e 3620 3136 3739 2e35 332c ,-175.6 1679.53,\n+0002db50: 2d31 3631 2e34 3420 3137 3136 2c2d 3134 -161.44 1716,-14\n+0002db60: 312e 3734 2031 3739 372e 3934 2c2d 3937 1.74 1797.94,-97\n+0002db70: 2e34 3820 3234 3637 2e35 322c 2d39 332e .48 2467.52,-93.\n+0002db80: 3538 2032 3633 362e 3432 2c2d 3933 2e33 58 2636.42,-93.3\n+0002db90: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+0002dba0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0002dbb0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0002dbc0: 696e 7473 3d22 3236 3336 2e35 392c 2d39 ints=\"2636.59,-9\n+0002dbd0: 362e 3831 2032 3634 362e 3539 2c2d 3933 6.81 2646.59,-93\n+0002dbe0: 2e33 2032 3633 362e 3538 2c2d 3839 2e38 .3 2636.58,-89.8\n+0002dbf0: 3120 3236 3336 2e35 392c 2d39 362e 3831 1 2636.59,-96.81\n+0002dc00: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0002dc10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002dc20: 5f74 6162 6c65 7326 2334 353b 2667 743b _tables->\n+0002dc30: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+0002dc40: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+0002dc50: 6564 6765 3332 3222 2063 6c61 7373 3d22 edge322\" class=\"\n+0002dc60: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0002dc70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002dc80: 5f74 6162 6c65 7326 2334 353b 2667 743b _tables->\n+0002dc90: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+0002dca0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils......mo\n+0002df20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002df30: 5f63 6f6d 7061 7426 2334 353b 2667 743b _compat->\n+0002df40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002df50: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n+0002df60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002df70: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0002df80: 2220 643d 224d 3639 312e 3339 2c2d 3331 \" d=\"M691.39,-31\n+0002df90: 2e34 3243 3933 332e 3732 2c2d 3338 2e35 .42C933.72,-38.5\n+0002dfa0: 3320 3233 3830 2e37 382c 2d38 322e 3138 3 2380.78,-82.18\n+0002dfb0: 2032 3633 362e 3435 2c2d 3930 2e30 3822 2636.45,-90.08\"\n+0002dfc0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0002dfd0: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n+0002dfe0: 6564 2220 706f 696e 7473 3d22 3236 3336 ed\" points=\"2636\n+0002dff0: 2e36 312c 2d39 332e 3539 2032 3634 362e .61,-93.59 2646.\n+0002e000: 3732 2c2d 3930 2e34 2032 3633 362e 3833 72,-90.4 2636.83\n+0002e010: 2c2d 3836 2e35 3920 3236 3336 2e36 312c ,-86.59 2636.61,\n+0002e020: 2d39 332e 3539 222f 3e0a 3c2f 673e 0a3c -93.59\"/>.</g>.<\n+0002e030: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002e040: 726f 6d61 6373 5f63 6f6d 7061 7426 2334 romacs_compat\n+0002e050: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002e060: 5f74 6573 7475 7469 6c73 202d 2d3e 0a3c _testutils -->.<\n+0002e070: 6720 6964 3d22 6564 6765 3332 3422 2063 g id=\"edge324\" c\n+0002e080: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0002e090: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0002e0a0: 726f 6d61 6373 5f63 6f6d 7061 7426 2334 romacs_compat\n+0002e0b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002e0c0: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils</titl\n+0002e0d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002e0e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+0002e0f0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+0002e100: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0002e110: 4d36 3931 2e37 2c2d 3330 2e34 3643 3130 M691.7,-30.46C10\n+0002e120: 3536 2e30 312c 2d33 302e 3833 2034 3137 56.01,-30.83 417\n+0002e130: 302e 3335 2c2d 3335 2e32 3320 3433 3539 0.35,-35.23 4359\n+0002e140: 2c2d 3738 2e38 3720 3439 3135 2e33 392c ,-78.87 4915.39,\n+0002e150: 2d32 3037 2e35 3820 3533 3930 2c2d 3237 -207.58 5390,-27\n+0002e160: 342e 3636 2035 3339 302c 2d38 3435 2e37 4.66 5390,-845.7\n+0002e170: 3520 3533 3930 2c2d 3130 3939 2e32 3320 5 5390,-1099.23 \n+0002e180: 3533 3930 2c2d 3130 3939 2e32 3320 3533 5390,-1099.23 53\n+0002e190: 3930 2c2d 3130 3939 2e32 3320 3533 3930 90,-1099.23 5390\n+0002e1a0: 2c2d 3131 3631 2e30 3520 3533 3636 2e35 ,-1161.05 5366.5\n+0002e1b0: 372c 2d31 3138 392e 3738 2035 3430 362c 7,-1189.78 5406,\n+0002e1c0: 2d31 3233 372e 3420 3534 3332 2e34 332c -1237.4 5432.43,\n+0002e1d0: 2d31 3236 392e 3332 2035 3437 392e 3631 -1269.32 5479.61\n+0002e1e0: 2c2d 3132 3830 2e35 3520 3535 3135 2c2d ,-1280.55 5515,-\n+0002e1f0: 3132 3834 2e33 3322 2f3e 0a3c 706f 6c79 1284.33\"/>.<poly\n+0002e200: 676f 6e20 6669 6c6c 3d22 2332 6363 6332 gon fill=\"#2ccc2\n+0002e210: 3822 2073 7472 6f6b 653d 2223 3263 6363 8\" stroke=\"#2ccc\n+0002e220: 3238 2220 706f 696e 7473 3d22 3535 3134 28\" points=\"5514\n+0002e230: 2e38 332c 2d31 3238 372e 3833 2035 3532 .83,-1287.83 552\n+0002e240: 352e 312c 2d31 3238 352e 3235 2035 3531 5.1,-1285.25 551\n+0002e250: 352e 3436 2c2d 3132 3830 2e38 3620 3535 5.46,-1280.86 55\n+0002e260: 3134 2e38 332c 2d31 3238 372e 3833 222f 14.83,-1287.83\"/\n+0002e270: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0002e280: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0002e290: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+0002e2a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002e2b0: 5f6d 6174 6820 2d2d 3e0a 3c67 2069 643d _math -->.<g id=\n+0002e2c0: 2265 6467 6533 3235 2220 636c 6173 733d \"edge325\" class=\n+0002e2d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0002e2e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002e2f0: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+0002e300: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002e310: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+0002e320: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modul\n+0002e4d0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002e4e0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0002e4f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002e500: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+0002e510: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0002e520: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+0002e530: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+0002e540: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0002e550: 3232 3036 2e37 372c 2d37 3739 2e31 4332 2206.77,-779.1C2\n+0002e560: 3334 342e 3032 2c2d 3736 312e 3732 2032 344.02,-761.72 2\n+0002e570: 3931 362e 3731 2c2d 3638 392e 3139 2033 916.71,-689.19 3\n+0002e580: 3039 382e 3432 2c2d 3636 362e 3137 222f 098.42,-666.17\"/\n+0002e590: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0002e5a0: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n+0002e5b0: 626c 6163 6b22 2070 6f69 6e74 733d 2233 black\" points=\"3\n+0002e5c0: 3039 392e 3038 2c2d 3636 392e 3632 2033 099.08,-669.62 3\n+0002e5d0: 3130 382e 3536 2c2d 3636 342e 3839 2033 108.56,-664.89 3\n+0002e5e0: 3039 382e 322c 2d36 3632 2e36 3820 3330 098.2,-662.68 30\n+0002e5f0: 3939 2e30 382c 2d36 3639 2e36 3222 2f3e 99.08,-669.62\"/>\n+0002e600: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0002e610: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002e620: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0002e630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002e640: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069 mdtypes -->.<g i\n+0002e650: 643d 2265 6467 6533 3237 2220 636c 6173 d=\"edge327\" clas\n+0002e660: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0002e670: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0002e680: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n+0002e690: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002e6a0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0002e6b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0002e6c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0002e6d0: 2362 6662 6662 6622 2064 3d22 4d32 3135 #bfbfbf\" d=\"M215\n+0002e6e0: 312e 3635 2c2d 3737 352e 3536 4332 3130 1.65,-775.56C210\n+0002e6f0: 362e 3837 2c2d 3736 312e 3620 3230 3132 6.87,-761.6 2012\n+0002e700: 2e38 2c2d 3732 372e 3436 2031 3935 322c .8,-727.46 1952,\n+0002e710: 2d36 3731 2e35 3720 3138 3934 2e30 332c -671.57 1894.03,\n+0002e720: 2d36 3138 2e32 3820 3139 3131 2e34 322c -618.28 1911.42,\n+0002e730: 2d35 3830 2e32 3620 3138 3632 2c2d 3531 -580.26 1862,-51\n+0002e740: 382e 3936 2031 3835 322e 3933 2c2d 3530 8.96 1852.93,-50\n+0002e750: 372e 3731 2031 3834 312e 3037 2c2d 3439 7.71 1841.07,-49\n+0002e760: 362e 3920 3138 3330 2e36 392c 2d34 3838 6.9 1830.69,-488\n+0002e770: 2e33 3622 2f3e 0a3c 706f 6c79 676f 6e20 .36\"/>.<polygon \n+0002e780: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+0002e790: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+0002e7a0: 706f 696e 7473 3d22 3138 3332 2e37 372c points=\"1832.77,\n+0002e7b0: 2d34 3835 2e35 3420 3138 3232 2e37 372c -485.54 1822.77,\n+0002e7c0: 2d34 3832 2e30 3420 3138 3238 2e34 2c2d -482.04 1828.4,-\n+0002e7d0: 3439 312e 3031 2031 3833 322e 3737 2c2d 491.01 1832.77,-\n+0002e7e0: 3438 352e 3534 222f 3e0a 3c2f 673e 0a3c 485.54\"/>.</g>.<\n+0002e7f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002e800: 726f 6d61 6373 5f67 6d78 6c69 6226 2334 romacs_gmxlib\n+0002e810: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002e820: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0002e830: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n+0002e840: 2265 6467 6533 3239 2220 636c 6173 733d \"edge329\" class=\n+0002e850: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0002e860: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002e870: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+0002e880: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002e890: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0002e8a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n+0002ea10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002ea20: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n+0002ea30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002ea40: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil</titl\n+0002ea50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002ea60: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0002ea70: 6266 6266 2220 643d 224d 3231 3934 2e39 bfbf\" 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2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0002eb70: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+0002eb80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002eb90: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+0002eba0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n+0002ebb0: 6533 3236 2220 636c 6173 733d 2265 6467 e326\" class=\"edg\n+0002ebc0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0002ebd0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002ebe0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0002ebf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002ec00: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+0002ec10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0002ed30: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n+0002efa0: 6f6d 6163 735f 7469 6d69 6e67 2623 3435 omacs_timing-\n+0002efb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002efc0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0002efd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....\n+0002f110: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0002f120: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+0002f130: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+0002f140: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+0002f150: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......modul\n+0002f4c0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0002f4d0: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+0002f4e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002f4f0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n+0002f500: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002f510: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0002f520: 2220 643d 224d 3337 3436 2e37 312c 2d37 \" d=\"M3746.71,-7\n+0002f530: 3038 2e35 3343 3337 3230 2c2d 3639 302e 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y -->.<g id=\"edg\n+0002f710: 6533 3339 2220 636c 6173 733d 2265 6467 e339\" class=\"edg\n+0002f720: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0002f730: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0002f740: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+0002f750: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002f760: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0002f770: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+0002f8a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+0002fb60: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0002fb70: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+0002fb80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002fb90: 6f6d 6163 735f 7365 6c65 6374 696f 6e3c omacs_selection<\n+0002fba0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0002fbb0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0002fbc0: 3d22 626c 6163 6b22 2064 3d22 4d33 3737 =\"black\" d=\"M377\n+0002fbd0: 312e 3031 2c2d 3730 372e 3339 4333 3737 1.01,-707.39C377\n+0002fbe0: 342e 3636 2c2d 3639 392e 3732 2033 3737 4.66,-699.72 377\n+0002fbf0: 392e 3433 2c2d 3638 392e 3732 2033 3738 9.43,-689.72 378\n+0002fc00: 332e 3638 2c2d 3638 302e 3831 222f 3e0a 3.68,-680.81\"/>.\n+0002fc10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n+0002fc20: 6c61 636b 2220 7374 726f 6b65 3d22 626c lack\" stroke=\"bl\n+0002fc30: 6163 6b22 2070 6f69 6e74 733d 2233 3738 ack\" points=\"378\n+0002fc40: 362e 3836 2c2d 3638 322e 3236 2033 3738 6.86,-682.26 378\n+0002fc50: 382c 2d36 3731 2e37 3320 3337 3830 2e35 8,-671.73 3780.5\n+0002fc60: 342c 2d36 3739 2e32 3520 3337 3836 2e38 4,-679.25 3786.8\n+0002fc70: 362c 2d36 3832 2e32 3622 2f3e 0a3c 2f67 6,-682.26\"/>.</g\n+0002fc80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0002fc90: 635f 6772 6f6d 6163 735f 636f 6f72 6469 c_gromacs_coordi\n+0002fca0: 6e61 7465 696f 2623 3435 3b26 6774 3b6d nateio->m\n+0002fcb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002fcc0: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n+0002fcd0: 6964 3d22 6564 6765 3333 3522 2063 6c61 id=\"edge335\" cla\n+0002fce0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0002fcf0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0002fd00: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+0002fd10: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+0002fd20: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0002fd30: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......m\n+0002feb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002fec0: 735f 636f 6f72 6469 6e61 7465 696f 2623 s_coordinateio&#\n+0002fed0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002fee0: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+0002fef0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n+00030000: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00030310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00030320: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n+00030330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00030340: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+00030350: 6374 6f72 7961 6e61 6c79 7369 733c 2f74 ctoryanalysis</t\n+00030360: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00030370: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00030380: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+00030390: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+000303a0: 643d 224d 3337 3631 2e34 312c 2d37 3334 d=\"M3761.41,-734\n+000303b0: 2e37 3243 3337 3536 2e37 372c 2d37 3432 .72C3756.77,-742\n+000303c0: 2e37 3920 3337 3439 2e33 362c 2d37 3533 .79 3749.36,-753\n+000303d0: 2e34 2033 3734 322e 3035 2c2d 3736 322e .4 3742.05,-762.\n+000303e0: 3631 222f 3e0a 3c70 6f6c 7967 6f6e 2066 61\"/>.<polygon f\n+000303f0: 696c 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6f72 src_gromacs_coor\n+000304e0: 6469 6e61 7465 696f 2623 3435 3b26 6774 dinateio->\n+000304f0: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n+00030500: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils......mo\n+00030780: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00030790: 5f73 7461 7469 7374 6963 7326 2334 353b _statistics-\n+000307a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000307b0: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math</tit\n+000307c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000307d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000307e0: 6662 6662 6622 2064 3d22 4d34 3136 302e fbfbf\" d=\"M4160.\n+000307f0: 3836 2c2d 3237 382e 3437 4333 3933 352e 86,-278.47C3935.\n+00030800: 3639 2c2d 3237 302e 3136 2032 3830 372e 69,-270.16 2807.\n+00030810: 3539 2c2d 3232 382e 3532 2032 3538 382e 59,-228.52 2588.\n+00030820: 3036 2c2d 3232 302e 3431 222f 3e0a 3c70 06,-220.41\"/>.<p\n+00030830: 6f6c 7967 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title>module_src\n+00030920: 5f67 726f 6d61 6373 5f73 7461 7469 7374 _gromacs_statist\n+00030930: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n+00030940: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+00030950: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00030960: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00030970: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00030980: 2220 643d 224d 3431 3939 2e34 322c 2d32 \" d=\"M4199.42,-2\n+00030990: 3637 2e32 3443 3431 3937 2e33 362c 2d32 67.24C4197.36,-2\n+000309a0: 3339 2e30 3920 3431 3838 2e30 362c 2d31 39.09 4188.06,-1\n+000309b0: 3731 2e34 3820 3431 3436 2c2d 3134 312e 71.48 4146,-141.\n+000309c0: 3734 2034 3038 352e 3834 2c2d 3939 2e31 74 4085.84,-99.1\n+000309d0: 3920 3239 3339 2e33 372c 2d39 332e 3939 9 2939.37,-93.99\n+000309e0: 2032 3731 332e 3436 2c2d 3933 2e33 3822 2713.46,-93.38\"\n+000309f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....\n+00030dc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00030dd0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00030de0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00030df0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00030e00: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld......\n+00030f60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00030f70: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00030f80: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00030f90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00030fa0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module\n+000311a0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+000311b0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+000311c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000311d0: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n+000311e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000311f0: 226e 6f6e 6522 2073 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4.5,-1040.7 1216\n+000312e0: 2e30 312c 2d31 3034 372e 3533 222f 3e0a .01,-1047.53\"/>.\n+000312f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00031300: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00031310: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00031320: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00031330: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00031340: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->.<g id=\"e\n+00031350: 6467 6533 3530 2220 636c 6173 733d 2265 dge350\" class=\"e\n+00031360: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00031370: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00031380: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+00031390: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000313a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+000313b0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+000313c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000313d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000313e0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000313f0: 6179 3d22 352c 3222 2064 3d22 4d35 3137 ay=\"5,2\" d=\"M517\n+00031400: 2e30 342c 2d31 3135 382e 3634 4337 3438 .04,-1158.64C748\n+00031410: 2e31 352c 2d31 3135 322e 3839 2031 3536 .15,-1152.89 156\n+00031420: 382e 3333 2c2d 3131 3331 2e31 3520 3135 8.33,-1131.15 15\n+00031430: 3837 2c2d 3131 3131 2e36 3620 3135 3837 87,-1111.66 1587\n+00031440: 2c2d 3131 3131 2e36 3620 3135 3837 2c2d ,-1111.66 1587,-\n+00031450: 3935 392e 3035 2031 3538 372c 2d39 3539 959.05 1587,-959\n+00031460: 2e30 3520 3135 3935 2e32 362c 2d38 3734 .05 1595.26,-874\n+00031470: 2e30 3320 3135 3938 2e36 342c 2d38 3532 .03 1598.64,-852\n+00031480: 2e30 3120 3136 3234 2c2d 3737 302e 3434 .01 1624,-770.44\n+00031490: 2031 3632 362e 3739 2c2d 3736 312e 3438 1626.79,-761.48\n+000314a0: 2031 3633 302e 372c 2d37 3531 2e39 3420 1630.7,-751.94 \n+000314b0: 3136 3334 2e34 2c2d 3734 332e 3732 222f 1634.4,-743.72\"/\n+000314c0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....m\n+000315b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000315c0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+000315d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000315e0: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+000315f0: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy....\n+000317a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+00031820: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+00031830: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+00031840: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00031850: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..\n+00031910: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n+00031a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00031a10: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+00031a20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00031a30: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00031a40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00031ba0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+00031bf0: 3c67 2069 643d 2265 6467 6533 3439 2220 .module_src_\n+00031c20: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+00031c30: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n+00031c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00031c50: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware.....<\n+00031e30: 6720 6964 3d22 6564 6765 3334 3722 2063 g id=\"edge347\" c\n+00031e40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00031e60: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00031e70: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+00031e80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00031e90: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+00031ea0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00032750: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00032760: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00032770: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math......module\n+000329e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+000329f0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00032a00: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00032a10: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+00032a20: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00032a30: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00032a40: 6663 6322 2064 3d22 4d31 3836 382e 3038 fcc\" d=\"M1868.08\n+00032a50: 2c2d 3132 3233 2e30 3543 3230 3736 2e35 ,-1223.05C2076.5\n+00032a60: 382c 2d31 3232 332e 3531 2033 3236 352e 8,-1223.51 3265.\n+00032a70: 3138 2c2d 3132 3233 2e39 3220 3333 3232 18,-1223.92 3322\n+00032a80: 2c2d 3131 3734 2e35 3320 3333 3930 2e34 ,-1174.53 3390.4\n+00032a90: 352c 2d31 3131 352e 3033 2033 3335 372c 5,-1115.03 3357,\n+00032aa0: 2d31 3036 342e 3138 2033 3335 372c 2d39 -1064.18 3357,-9\n+00032ab0: 3733 2e34 3920 3333 3537 2c2d 3937 332e 73.49 3357,-973.\n+00032ac0: 3439 2033 3335 372c 2d39 3733 2e34 3920 49 3357,-973.49 \n+00032ad0: 3333 3537 2c2d 3930 382e 3632 2033 3335 3357,-908.62 335\n+00032ae0: 372c 2d38 3037 2e38 3920 3332 3830 2e34 7,-807.89 3280.4\n+00032af0: 372c 2d38 3038 2e33 3120 3332 3132 2c2d 7,-808.31 3212,-\n+00032b00: 3733 342e 3434 2033 3139 352e 3837 2c2d 734.44 3195.87,-\n+00032b10: 3731 372e 3034 2033 3137 392e 3536 2c2d 717.04 3179.56,-\n+00032b20: 3639 352e 3433 2033 3136 382e 3337 2c2d 695.43 3168.37,-\n+00032b30: 3637 392e 3833 222f 3e0a 3c70 6f6c 7967 679.83\"/>.<polyg\n+00032b40: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00032b50: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00032b60: 6322 2070 6f69 6e74 733d 2233 3137 312e c\" points=\"3171.\n+00032b70: 3034 2c2d 3637 372e 3535 2033 3136 322e 04,-677.55 3162.\n+00032b80: 342c 2d36 3731 2e34 3120 3331 3635 2e33 4,-671.41 3165.3\n+00032b90: 332c 2d36 3831 2e36 2033 3137 312e 3034 3,-681.6 3171.04\n+00032ba0: 2c2d 3637 372e 3535 222f 3e0a 3c2f 673e ,-677.55\"/>.</g>\n+00032bb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00032bc0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00032bd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00032be0: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n+00032bf0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+00032c00: 3731 2220 636c 6173 733d 2265 6467 6522 71\" class=\"edge\"\n+00032c10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00032c20: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00032c30: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00032c40: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00032c50: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld......mod\n+00032e20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00032e30: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00032e40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00032e50: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00032e60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+00033050: 3c67 2069 643d 2265 6467 6533 3736 2220 .module_src_\n+00033080: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00033090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000330a0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib....\n+00033230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+000332a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000332b0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+000332c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000332d0: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n+000332e0: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a......module_src_grom\n+00033760: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00033770: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00033780: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00033790: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..<\n+00033890: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+000338a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+000338b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+000338c0: 3136 3437 2e32 322c 2d37 3434 2e37 3220 1647.22,-744.72 \n+000338d0: 3136 3434 2e31 362c 2d37 3334 2e35 3820 1644.16,-734.58 \n+000338e0: 3136 3430 2e32 322c 2d37 3434 2e34 3120 1640.22,-744.41 \n+000338f0: 3136 3437 2e32 322c 2d37 3434 2e37 3222 1647.22,-744.72\"\n+00033900: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_gr\n+00033980: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00033990: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000339a0: 726f 6d61 6373 5f74 6f70 6f6c 6f67 793c romacs_topology<\n+000339b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+00033b70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00033b80: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00033b90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00033ba0: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+00033bb0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3336 ->.\n+00033bd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00033be0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00033bf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00033c00: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00033c10: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec......module_src_grom\n+00033de0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00033df0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00033e00: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00033e10: 6c61 746f 723c 2f74 6974 6c65 3e0a 3c70 lator......module_src_grom\n+00033f70: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00033f80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00033f90: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random..<\n+00034080: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+00034090: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+000340a0: 636b 2220 706f 696e 7473 3d22 3430 3731 ck\" points=\"4071\n+000340b0: 2e35 392c 2d37 3337 2e30 3920 3430 3739 .59,-737.09 4079\n+000340c0: 2e38 322c 2d37 3330 2e34 3220 3430 3639 .82,-730.42 4069\n+000340d0: 2e32 332c 2d37 3330 2e35 2034 3037 312e .23,-730.5 4071.\n+000340e0: 3539 2c2d 3733 372e 3039 222f 3e0a 3c2f 59,-737.09\"/>....mod\n+00034160: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034170: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00034180: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034190: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n+000341a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+00034370: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034380: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00034390: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000343a0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n+000343b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000343c0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+000343d0: 6662 6622 2064 3d22 4d31 3830 352e 3538 fbf\" d=\"M1805.58\n+000343e0: 2c2d 3132 3232 2e37 3143 3136 3536 2e34 ,-1222.71C1656.4\n+000343f0: 2c2d 3132 3231 2e32 3920 3130 3138 2e37 ,-1221.29 1018.7\n+00034400: 342c 2d31 3231 332e 3037 2038 3234 2c2d 4,-1213.07 824,-\n+00034410: 3131 3734 2e35 3320 3733 342e 3432 2c2d 1174.53 734.42,-\n+00034420: 3131 3536 2e38 3120 3433 372c 2d31 3132 1156.81 437,-112\n+00034430: 372e 3637 2034 3337 2c2d 3130 3336 2e33 7.67 437,-1036.3\n+00034440: 3620 3433 372c 2d31 3033 362e 3336 2034 6 437,-1036.36 4\n+00034450: 3337 2c2d 3130 3336 2e33 3620 3433 372c 37,-1036.36 437,\n+00034460: 2d37 3832 2e38 3820 3433 372c 2d37 3136 -782.88 437,-716\n+00034470: 2e31 3820 3532 312e 3738 2c2d 3638 322e .18 521.78,-682.\n+00034480: 3832 2035 3735 2e33 2c2d 3636 382e 3422 82 575.3,-668.4\"\n 00034490: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-000344a0: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n-000344b0: 6564 2220 706f 696e 7473 3d22 3139 3333 ed\" points=\"1933\n-000344c0: 2e39 372c 2d32 3135 2e36 3520 3139 3233 .97,-215.65 1923\n-000344d0: 2e39 362c 2d32 3139 2e31 3220 3139 3333 .96,-219.12 1933\n-000344e0: 2e39 352c 2d32 3232 2e36 3520 3139 3333 .95,-222.65 1933\n-000344f0: 2e39 372c 2d32 3135 2e36 3522 2f3e 0a3c .97,-215.65\"/>.<\n-00034500: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00034510: 7372 635f 6772 6f6d 6163 735f 636f 6f72 src_gromacs_coor\n-00034520: 6469 6e61 7465 696f 2623 3435 3b26 6774 dinateio->\n-00034530: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n-00034540: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n-00034550: 2265 6467 6533 3637 2220 636c 6173 733d \"edge367\" class=\n-00034560: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00034570: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00034580: 735f 636f 6f72 6469 6e61 7465 696f 2623 s_coordinateio&#\n-00034590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000345a0: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils</tit\n-000345b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000345c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000345d0: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n-000345e0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-000345f0: 224d 3335 3831 2e33 382c 2d37 3236 2e37 \"M3581.38,-726.7\n-00034600: 3643 3336 3038 2e34 312c 2d37 3239 2e34 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3337 ->.<g id=\"edge37\n-000347e0: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n-000347f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00034800: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-00034810: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-00034820: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00034830: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n-00034840: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00034850: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00034860: 6662 6662 6622 2064 3d22 4d31 3036 362e fbfbf\" d=\"M1066.\n-00034870: 3033 2c2d 3131 3532 2e37 3743 3130 3739 03,-1152.77C1079\n-00034880: 2e35 382c 2d31 3135 302e 3839 2031 3039 .58,-1150.89 109\n-00034890: 342e 3334 2c2d 3131 3439 2e30 3220 3131 4.34,-1149.02 11\n-000348a0: 3038 2c2d 3131 3437 2e36 3620 3133 3637 08,-1147.66 1367\n-000348b0: 2e36 352c 2d31 3132 312e 3739 2031 3433 .65,-1121.79 143\n-000348c0: 352e 3933 2c2d 3131 3530 2e32 3520 3136 5.93,-1150.25 16\n-000348d0: 3934 2c2d 3131 3131 2e36 3620 3137 3038 94,-1111.66 1708\n-000348e0: 2e38 2c2d 3131 3039 2e34 3520 3139 3434 .8,-1109.45 1944\n-000348f0: 2e31 332c 2d31 3035 372e 3931 2031 3935 .13,-1057.91 195\n-00034900: 362c 2d31 3034 382e 3739 2031 3939 312e 6,-1048.79 1991.\n-00034910: 3537 2c2d 3130 3231 2e34 3520 3230 3139 57,-1021.45 2019\n-00034920: 2e31 342c 2d39 3034 2e31 3620 3230 3238 .14,-904.16 2028\n-00034930: 2c2d 3836 302e 3138 2032 3033 312e 352c ,-860.18 2031.5,\n-00034940: 2d38 3432 2e38 2032 3033 332e 3831 2c2d -842.8 2033.81,-\n-00034950: 3832 322e 3836 2032 3033 352e 3231 2c2d 822.86 2035.21,-\n-00034960: 3830 372e 3837 222f 3e0a 3c70 6f6c 7967 807.87\"/>.<polyg\n-00034970: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-00034980: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-00034990: 6622 2070 6f69 6e74 733d 2232 3033 382e f\" points=\"2038.\n-000349a0: 3734 2c2d 3830 372e 3736 2032 3033 362e 74,-807.76 2036.\n-000349b0: 3131 2c2d 3739 372e 3520 3230 3331 2e37 11,-797.5 2031.7\n-000349c0: 362c 2d38 3037 2e31 3620 3230 3338 2e37 6,-807.16 2038.7\n-000349d0: 342c 2d38 3037 2e37 3622 2f3e 0a3c 2f67 4,-807.76\"/>.</g\n-000349e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000349f0: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-00034a00: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-00034a10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00034a20: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n-00034a30: 3e0a 3c67 2069 643d 2265 6467 6533 3735 >.<g id=\"edge375\n-00034a40: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00034a50: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00034a60: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-00034a70: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-00034a80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00034a90: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-00034aa0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00034ab0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00034ac0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00034ad0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00034ae0: 643d 224d 3935 392e 3032 2c2d 3131 3537 d=\"M959.02,-1157\n-00034af0: 2e38 3143 3833 362e 3831 2c2d 3131 3532 .81C836.81,-1152\n-00034b00: 2e35 3720 3536 342e 3537 2c2d 3131 3338 .57 564.57,-1138\n-00034b10: 2e30 3520 3533 322c 2d31 3131 312e 3636 .05 532,-1111.66\n-00034b20: 2035 3030 2e32 352c 2d31 3038 352e 3933 500.25,-1085.93\n-00034b30: 2035 3030 2e37 332c 2d31 3036 312e 3220 500.73,-1061.2 \n-00034b40: 3531 322c 2d31 3032 312e 3932 2035 3631 512,-1021.92 561\n-00034b50: 2e32 352c 2d38 3530 2e33 3420 3630 332e .25,-850.34 603.\n-00034b60: 3932 2c2d 3739 302e 3438 2037 3632 2c2d 92,-790.48 762,-\n-00034b70: 3730 372e 3537 2038 3139 2e36 362c 2d36 707.57 819.66,-6\n-00034b80: 3737 2e33 3320 3834 392e 3839 2c2d 3730 77.33 849.89,-70\n-00034b90: 372e 3737 2039 3034 2c2d 3637 312e 3537 7.77 904,-671.57\n-00034ba0: 2039 3136 2e33 372c 2d36 3633 2e32 3920 916.37,-663.29 \n-00034bb0: 3931 342e 3132 2c2d 3635 352e 3833 2039 914.12,-655.83 9\n-00034bc0: 3234 2c2d 3634 342e 3720 3933 392e 3435 24,-644.7 939.45\n-00034bd0: 2c2d 3632 372e 3320 3934 362e 3236 2c2d ,-627.3 946.26,-\n-00034be0: 3632 352e 3833 2039 3632 2c2d 3630 382e 625.83 962,-608.\n-00034bf0: 3720 3130 3434 2e39 2c2d 3531 382e 3436 7 1044.9,-518.46\n-00034c00: 2031 3034 312e 3239 2c2d 3437 332e 3334 1041.29,-473.34\n-00034c10: 2031 3133 342c 2d33 3933 2e32 3220 3131 1134,-393.22 11\n-00034c20: 3439 2e35 312c 2d33 3739 2e38 3120 3131 49.51,-379.81 11\n-00034c30: 3639 2e32 362c 2d33 3638 2e31 3220 3131 69.26,-368.12 11\n-00034c40: 3835 2e36 2c2d 3335 392e 3538 222f 3e0a 85.6,-359.58\"/>.\n-00034c50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00034c60: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-00034c70: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-00034c80: 2231 3138 372e 3433 2c2d 3336 322e 3537 \"1187.43,-362.57\n-00034c90: 2031 3139 342e 3736 2c2d 3335 342e 3933 1194.76,-354.93\n-00034ca0: 2031 3138 342e 3236 2c2d 3335 362e 3333 1184.26,-356.33\n-00034cb0: 2031 3138 372e 3433 2c2d 3336 322e 3537 1187.43,-362.57\n-00034cc0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00034cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00034ce0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-00034cf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00034d00: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-00034d10: 6e67 202d 2d3e 0a3c 6720 6964 3d22 6564 ng -->.<g id=\"ed\n-00034d20: 6765 3337 3222 2063 6c61 7373 3d22 6564 ge372\" class=\"ed\n-00034d30: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00034d40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00034d50: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-00034d60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00034d70: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-00034d80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n-00034f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00034f70: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n-00034f80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00034f90: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-00034fa0: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy....<\n-000351a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000351b0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-000351c0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-000351d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000351e0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->..module_src_gro\n-00035220: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-00035230: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-00035240: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00035250: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-00035260: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00035270: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00035280: 2220 643d 224d 3130 3531 2e31 2c2d 3131 \" d=\"M1051.1,-11\n-00035290: 3439 2e38 3143 3131 3138 2e34 392c 2d31 49.81C1118.49,-1\n-000352a0: 3132 372e 3733 2031 3237 342e 3332 2c2d 127.73 1274.32,-\n-000352b0: 3130 3730 2e38 3420 3133 3832 2c2d 3938 1070.84 1382,-98\n-000352c0: 352e 3932 2031 3537 372e 3431 2c2d 3833 5.92 1577.41,-83\n-000352d0: 312e 3831 2031 3535 352e 3636 2c2d 3732 1.81 1555.66,-72\n-000352e0: 372e 3820 3136 3931 2c2d 3531 382e 3936 7.8 1691,-518.96\n-000352f0: 2031 3639 372e 3234 2c2d 3530 392e 3333 1697.24,-509.33\n-00035300: 2031 3730 342e 3733 2c2d 3439 392e 3038 1704.73,-499.08\n-00035310: 2031 3731 312e 3235 2c2d 3439 302e 3522 1711.25,-490.5\"\n-00035320: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....module_src_gr\n-00035420: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-00035430: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-00035440: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00035450: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility..\n-00035610: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00035690: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n-000356a0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n-000356b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000356c0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-000356d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000356e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000356f0: 3d22 2362 6662 6662 6622 2064 3d22 4d39 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3537 2036 3637 2e38 362c 2d36 3933 2e39 57 667.86,-693.9\n-000357f0: 3720 3733 332e 3237 2c2d 3637 372e 3839 7 733.27,-677.89\n-00035800: 2037 3737 2e33 362c 2d36 3638 2e31 3122 777.36,-668.11\"\n-00035810: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00035820: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00035830: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-00035840: 7473 3d22 3737 382e 3233 2c2d 3637 312e ts=\"778.23,-671.\n-00035850: 3520 3738 372e 3235 2c2d 3636 352e 3934 5 787.25,-665.94\n-00035860: 2037 3736 2e37 332c 2d36 3634 2e36 3620 776.73,-664.66 \n-00035870: 3737 382e 3233 2c2d 3637 312e 3522 2f3e 778.23,-671.5\"/>\n-00035880: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00035890: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-000358a0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-000358b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000358c0: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n-000358d0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n-000358e0: 3734 2220 636c 6173 733d 2265 6467 6522 74\" class=\"edge\"\n-000358f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00035900: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-00035910: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-00035920: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00035930: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n-00035940: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00035950: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00035960: 2332 3832 6663 6322 2064 3d22 4d39 3537 #282fcc\" d=\"M957\n-00035970: 2e33 322c 2d31 3135 392e 3938 4338 3134 .32,-1159.98C814\n-00035980: 2e37 332c 2d31 3135 392e 3031 2034 3632 .73,-1159.01 462\n-00035990: 2e30 372c 2d31 3135 322e 3433 2033 3532 .07,-1152.43 352\n-000359a0: 2c2d 3131 3131 2e36 3620 3136 322e 3833 ,-1111.66 162.83\n-000359b0: 2c2d 3130 3431 2e36 2033 372c 2d39 3836 ,-1041.6 37,-986\n-000359c0: 2e36 2033 372c 2d37 3834 2e38 3820 3337 .6 37,-784.88 37\n-000359d0: 2c2d 3738 342e 3838 2033 372c 2d37 3834 ,-784.88 37,-784\n-000359e0: 2e38 3820 3337 2c2d 3732 302e 3031 2033 .88 37,-720.01 3\n-000359f0: 372c 2d36 3335 2e31 3820 3737 2c2d 3631 7,-635.18 77,-61\n-00035a00: 382e 3232 2037 372c 2d35 3333 2e34 2037 8.22 77,-533.4 7\n-00035a10: 372c 2d35 3333 2e34 2037 372c 2d35 3333 7,-533.4 77,-533\n-00035a20: 2e34 2037 372c 2d34 3035 2e36 3620 3737 .4 77,-405.66 77\n-00035a30: 2c2d 3238 312e 3538 2036 352e 3434 2c2d ,-281.58 65.44,-\n-00035a40: 3231 312e 3536 2031 3638 2c2d 3134 312e 211.56 168,-141.\n-00035a50: 3734 2032 3239 2e39 342c 2d39 392e 3537 74 229.94,-99.57\n-00035a60: 2032 3638 372e 3737 2c2d 3933 2e39 3420 2687.77,-93.94 \n-00035a70: 3330 3236 2e34 352c 2d39 332e 3336 222f 3026.45,-93.36\"/\n-00035a80: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00035a90: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00035aa0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-00035ab0: 733d 2233 3032 362e 3532 2c2d 3936 2e38 s=\"3026.52,-96.8\n-00035ac0: 3620 3330 3336 2e35 312c 2d39 332e 3335 6 3036.51,-93.35\n-00035ad0: 2033 3032 362e 3531 2c2d 3839 2e38 3620 3026.51,-89.86 \n-00035ae0: 3330 3236 2e35 322c 2d39 362e 3836 222f 3026.52,-96.86\"/\n-00035af0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00035b00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00035b10: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-00035b20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00035b30: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n-00035b40: 2d3e 0a3c 6720 6964 3d22 6564 6765 3337 ->.<g id=\"edge37\n-00035b50: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n-00035b60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00035b70: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-00035b80: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-00035b90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00035ba0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n-00035bb0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00035bc0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00035bd0: 6266 6266 2220 643d 224d 3130 3637 2e30 bfbf\" d=\"M1067.0\n-00035be0: 322c 2d31 3135 332e 3133 4331 3038 302e 2,-1153.13C1080.\n-00035bf0: 3331 2c2d 3131 3531 2e32 3920 3130 3934 31,-1151.29 1094\n-00035c00: 2e37 2c2d 3131 3439 2e33 3520 3131 3038 .7,-1149.35 1108\n-00035c10: 2c2d 3131 3437 2e36 3620 3132 3435 2e31 ,-1147.66 1245.1\n-00035c20: 362c 2d31 3133 302e 3220 3132 3832 2e38 6,-1130.2 1282.8\n-00035c30: 332c 2d31 3134 352e 3036 2031 3431 372c 3,-1145.06 1417,\n-00035c40: 2d31 3131 312e 3636 2031 3437 372e 3837 -1111.66 1477.87\n-00035c50: 2c2d 3130 3936 2e35 3120 3135 3435 2e33 ,-1096.51 1545.3\n-00035c60: 392c 2d31 3036 372e 3035 2031 3538 322e 9,-1067.05 1582.\n-00035c70: 3234 2c2d 3130 3439 2e38 3122 2f3e 0a3c 24,-1049.81\"/>.<\n-00035c80: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00035c90: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00035ca0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00035cb0: 3135 3833 2e38 312c 2d31 3035 322e 3934 1583.81,-1052.94\n-00035cc0: 2031 3539 312e 3335 2c2d 3130 3435 2e35 1591.35,-1045.5\n-00035cd0: 2031 3538 302e 3832 2c2d 3130 3436 2e36 1580.82,-1046.6\n-00035ce0: 3120 3135 3833 2e38 312c 2d31 3035 322e 1 1583.81,-1052.\n-00035cf0: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20 94\"/>.</g>.<!-- \n-00035d00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00035d10: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n-00035d20: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-00035d30: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-00035d40: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n-00035d50: 6765 3336 3822 2063 6c61 7373 3d22 6564 ge368\" class=\"ed\n-00035d60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00035d70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00035d80: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-00035d90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00035da0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n-00035db0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00035dc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00035dd0: 2223 3238 3266 6363 2220 643d 224d 3939 \"#282fcc\" d=\"M99\n-00035de0: 332e 3932 2c2d 3131 3438 2e36 3543 3937 3.92,-1148.65C97\n-00035df0: 322e 3531 2c2d 3131 3338 2e34 3620 3934 2.51,-1138.46 94\n-00035e00: 312e 3136 2c2d 3131 3233 2e35 3520 3931 1.16,-1123.55 91\n-00035e10: 382e 3439 2c2d 3131 3132 2e37 3822 2f3e 8.49,-1112.78\"/>\n-00035e20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00035e30: 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7461 736b src_gromacs_task\n-00035f20: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-00035f30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00035f40: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-00035f50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00035f60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00035f70: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00035f80: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00035f90: 3d22 4d31 3033 332e 3232 2c2d 3131 3437 =\"M1033.22,-1147\n-00035fa0: 2e37 3443 3130 3635 2e35 352c 2d31 3132 .74C1065.55,-112\n-00035fb0: 312e 3920 3131 3434 2e31 2c2d 3130 3631 1.9 1144.1,-1061\n-00035fc0: 2e33 2031 3231 372c 2d31 3032 312e 3932 .3 1217,-1021.92\n-00035fd0: 2031 3234 342e 3238 2c2d 3130 3037 2e31 1244.28,-1007.1\n-00035fe0: 3920 3132 3737 2e30 312c 2d39 3934 2e32 9 1277.01,-994.2\n-00035ff0: 3620 3133 3031 2e34 2c2d 3938 352e 3438 6 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2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00036620: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-00036630: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility..\n-00036740: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-000367b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000367c0: 735f 7369 6d64 2623 3435 3b26 6774 3b6d s_simd->m\n-000367d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000367e0: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n-000367f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00036800: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-00036810: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-00036820: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00036830: 3130 3237 2e31 362c 2d33 3435 2e35 3943 1027.16,-345.59C\n-00036840: 3933 332e 3734 2c2d 3334 382e 3636 2036 933.74,-348.66 6\n-00036850: 3236 2e38 352c 2d33 3631 2e31 3520 3539 26.85,-361.15 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3843 3237 3030 .29,-529.98C2700\n-00039060: 2e30 372c 2d35 3232 2e30 3820 3139 3639 .07,-522.08 1969\n-00039070: 2e33 372c 2d34 3833 2e33 3720 3137 3734 .37,-483.37 1774\n-00039080: 2e37 322c 2d34 3733 2e30 3522 2f3e 0a3c .72,-473.05\"/>.<\n-00039090: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-000390a0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000390b0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-000390c0: 3137 3734 2e37 2c2d 3436 392e 3535 2031 1774.7,-469.55 1\n-000390d0: 3736 342e 3532 2c2d 3437 322e 3531 2031 764.52,-472.51 1\n-000390e0: 3737 342e 3332 2c2d 3437 362e 3534 2031 774.32,-476.54 1\n-000390f0: 3737 342e 372c 2d34 3639 2e35 3522 2f3e 774.7,-469.55\"/>\n-00039100: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00039110: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00039120: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00039130: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00039140: 7472 616a 6563 746f 7279 202d 2d3e 0a3c trajectory -->.<\n-00039150: 6720 6964 3d22 6564 6765 3430 3022 2063 g id=\"edge400\" c\n-00039160: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00039170: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00039180: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00039190: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000391a0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-000391b0: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory.....<\n-00039310: 6720 6964 3d22 6564 6765 3339 3822 2063 g id=\"edge398\" c\n-00039320: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00039340: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00039350: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00039360: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00039370: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00039480: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n-000396f0: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n-00039700: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00039710: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n-00039720: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n-00039790: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-00039880: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-00039890: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000398a0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math....<\n-00039a10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00039a20: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00039a30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00039a40: 5f74 6573 7475 7469 6c73 202d 2d3e 0a3c _testutils -->.<\n-00039a50: 6720 6964 3d22 6564 6765 3430 3622 2063 g id=\"edge406\" c\n-00039a60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 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.05C2075.19,-197\n-00039ed0: 2e33 2032 3834 382e 3032 2c2d 3131 352e .3 2848.02,-115.\n-00039ee0: 3432 2033 3032 372e 372c 2d39 362e 3939 42 3027.7,-96.99\n-00039ef0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.\n-00039f60: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-00039fb0: 3c67 2069 643d 2265 6467 6534 3038 2220 .module_src_\n-00039fe0: 6772 6f6d 6163 735f 6d61 7468 2623 3435 gromacs_math-\n-00039ff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0003a000: 6772 6f6d 6163 735f 6c69 6e65 6172 616c gromacs_linearal\n-0003a010: 6765 6272 613c 2f74 6974 6c65 3e0a 3c70 gebra.\n-0003a0b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0003a120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-0003a3c0: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65 _src_gromacs_ene\n-0003a3d0: 7267 7961 6e61 6c79 7369 733c 2f74 6974 rgyanalysis</tit\n-0003a3e0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-0003a3f0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0003a400: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n-0003a410: 3533 3622 2063 793d 222d 3133 3439 2e37 536\" cy=\"-1349.7\n-0003a420: 3122 2072 783d 2235 362e 3634 2220 7279 1\" rx=\"56.64\" ry\n-0003a430: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0003a440: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0003a450: 6464 6c65 2220 783d 2231 3533 3622 2079 ddle\" x=\"1536\" y\n-0003a460: 3d22 2d31 3334 372e 3231 2220 666f 6e74 =\"-1347.21\" font\n-0003a470: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n-0003a480: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n-0003a490: 2e30 3022 3e65 6e65 7267 7961 6e61 6c79 .00\">energyanaly\n-0003a4a0: 7369 733c 2f74 6578 743e 0a3c 2f67 3e0a sis</text>.</g>.\n-0003a4b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0003a4c0: 6772 6f6d 6163 735f 656e 6572 6779 616e gromacs_energyan\n-0003a4d0: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n-0003a4e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003a4f0: 735f 676d 7861 6e61 202d 2d3e 0a3c 6720 s_gmxana -->.<g \n-0003a500: 6964 3d22 6564 6765 3431 3122 2063 6c61 id=\"edge411\" cla\n-0003a510: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0003a520: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0003a530: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n-0003a540: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0003a550: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0003a560: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c70 mxana....<\n-0003a6a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003a6b0: 726f 6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n-0003a6c0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n-0003a6d0: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n-0003a6e0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564 ls -->..modu\n-0003a710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0003a720: 6e65 7267 7961 6e61 6c79 7369 7326 2334 nergyanalysis\n-0003a730: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003a740: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils</titl\n-0003a750: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0003a760: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n-0003a770: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n-0003a780: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0003a790: 4d31 3539 322e 3335 2c2d 3133 3437 2e38 M1592.35,-1347.8\n-0003a7a0: 3543 3230 3433 2e38 342c 2d31 3334 302e 5C2043.84,-1340.\n-0003a7b0: 3935 2035 3036 362e 3536 2c2d 3132 3934 95 5066.56,-1294\n-0003a7c0: 2e37 3920 3534 3736 2e31 2c2d 3132 3838 .79 5476.1,-1288\n-0003a7d0: 2e35 3422 2f3e 0a3c 706f 6c79 676f 6e20 .54\"/>.<polygon \n-0003a7e0: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n-0003a7f0: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n-0003a800: 706f 696e 7473 3d22 3534 3736 2e31 362c points=\"5476.16,\n-0003a810: 2d31 3239 322e 3034 2035 3438 362e 3131 -1292.04 5486.11\n-0003a820: 2c2d 3132 3838 2e33 3820 3534 3736 2e30 ,-1288.38 5476.0\n-0003a830: 352c 2d31 3238 352e 3034 2035 3437 362e 5,-1285.04 5476.\n-0003a840: 3136 2c2d 3132 3932 2e30 3422 2f3e 0a3c 16,-1292.04\"/>.<\n-0003a850: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0003a860: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0003a870: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0003a880: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003a890: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a macs_gmxlib -->.\n-0003a8a0: 3c67 2069 643d 2265 6467 6534 3137 2220 <g id=\"edge417\" \n-0003a8b0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0003a8c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0003a8d0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-0003a8e0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-0003a8f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003a900: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-0003a910: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-0003aa50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003aa60: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0003aa70: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-0003aa80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003aa90: 6666 7420 2d2d 3e0a 3c67 2069 643d 2265 fft -->..mod\n-0003aac0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003aad0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-0003aae0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003aaf0: 5f67 726f 6d61 6373 5f66 6674 3c2f 7469 _gromacs_fft</ti\n-0003ab00: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0003ab10: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0003ab20: 6266 6266 6266 2220 643d 224d 3330 3732 bfbfbf\" d=\"M3072\n-0003ab30: 2e35 312c 2d31 3237 332e 3343 3330 3537 .51,-1273.3C3057\n-0003ab40: 2e38 2c2d 3132 3332 2e31 3920 3330 3039 .8,-1232.19 3009\n-0003ab50: 2e38 392c 2d31 3039 372e 3734 2032 3937 .89,-1097.74 297\n-0003ab60: 322c 2d39 3835 2e39 3220 3239 3731 2e32 2,-985.92 2971.2\n-0003ab70: 382c 2d39 3833 2e38 3120 3239 3233 2e36 8,-983.81 2923.6\n-0003ab80: 342c 2d38 3334 2e38 3220 3239 3232 2c2d 4,-834.82 2922,-\n-0003ab90: 3833 332e 3331 2032 3837 312e 362c 2d37 833.31 2871.6,-7\n-0003aba0: 3836 2e38 3420 3238 3332 2e34 362c 2d38 86.84 2832.46,-8\n-0003abb0: 3239 2e36 3320 3237 3732 2c2d 3739 372e 29.63 2772,-797.\n-0003abc0: 3331 2032 3736 392e 3733 2c2d 3739 362e 31 2769.73,-796.\n-0003abd0: 3120 3237 3035 2e34 342c 2d37 3336 2e35 1 2705.44,-736.5\n-0003abe0: 3720 3237 3034 2c2d 3733 342e 3434 2032 7 2704,-734.44 2\n-0003abf0: 3639 332e 3031 2c2d 3731 382e 3234 2032 693.01,-718.24 2\n-0003ac00: 3638 352e 3338 2c2d 3639 372e 3238 2032 685.38,-697.28 2\n-0003ac10: 3638 302e 3731 2c2d 3638 312e 3622 2f3e 680.71,-681.6\"/>\n-0003ac20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0003ac30: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-0003ac40: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-0003ac50: 3d22 3236 3834 2e30 312c 2d36 3830 2e33 =\"2684.01,-680.3\n-0003ac60: 3920 3236 3737 2e39 352c 2d36 3731 2e37 9 2677.95,-671.7\n-0003ac70: 2032 3637 372e 3236 2c2d 3638 322e 3237 2677.26,-682.27\n-0003ac80: 2032 3638 342e 3031 2c2d 3638 302e 3339 2684.01,-680.39\n-0003ac90: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0003aca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003acb0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-0003acc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003acd0: 635f 6772 6f6d 6163 735f 6d64 7275 6e20 c_gromacs_mdrun \n-0003ace0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->.<g id=\"edge4\n-0003acf0: 3236 2220 636c 6173 733d 2265 6467 6522 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2032 3639 302e 3632 2c2d 3131 4.53 2690.62,-11\n-0003d3e0: 3539 2e38 3320 3236 3733 2e32 362c 2d31 59.83 2673.26,-1\n-0003d3f0: 3133 362e 3635 2032 3636 322e 3333 2c2d 136.65 2662.33,-\n-0003d400: 3131 3139 2e38 3922 2f3e 0a3c 706f 6c79 1119.89\"/>.<poly\n-0003d410: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0003d420: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0003d430: 6363 2220 706f 696e 7473 3d22 3236 3635 cc\" points=\"2665\n-0003d440: 2e32 332c 2d31 3131 372e 3933 2032 3635 .23,-1117.93 265\n-0003d450: 362e 3934 2c2d 3131 3131 2e33 3420 3236 6.94,-1111.34 26\n-0003d460: 3539 2e33 312c 2d31 3132 312e 3636 2032 59.31,-1121.66 2\n-0003d470: 3636 352e 3233 2c2d 3131 3137 2e39 3322 665.23,-1117.93\"\n-0003d480: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0003d490: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003d4a0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-0003d4b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003d4c0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n-0003d4d0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->.<g id=\"edge4\n-0003d4e0: 3134 2220 636c 6173 733d 2265 6467 6522 14\" class=\"edge\"\n-0003d4f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0003d500: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-0003d510: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-0003d520: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003d530: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n-0003d540: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0003d550: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0003d560: 6662 6662 6622 2064 3d22 4d33 3131 332e fbfbf\" d=\"M3113.\n-0003d570: 3535 2c2d 3132 3736 2e32 4333 3139 302e 55,-1276.2C3190.\n-0003d580: 3133 2c2d 3132 3533 2e37 3520 3333 3538 13,-1253.75 3358\n-0003d590: 2c2d 3131 3931 2e36 3220 3333 3238 2c2d ,-1191.62 3328,-\n-0003d5a0: 3130 3834 2e37 3920 3332 3931 2e39 322c 1084.79 3291.92,\n-0003d5b0: 2d39 3536 2e33 3220 3332 3635 2e35 382c -956.32 3265.58,\n-0003d5c0: 2d39 3139 2e38 3320 3331 3634 2c2d 3833 -919.83 3164,-83\n-0003d5d0: 332e 3331 2033 3039 342e 3532 2c2d 3737 3.31 3094.52,-77\n-0003d5e0: 342e 3133 2033 3035 302e 3538 2c2d 3739 4.13 3050.58,-79\n-0003d5f0: 362e 3837 2032 3938 342c 2d37 3334 2e34 6.87 2984,-734.4\n-0003d600: 3420 3239 3238 2e38 312c 2d36 3832 2e37 4 2928.81,-682.7\n-0003d610: 2032 3839 352e 3837 2c2d 3539 362e 3320 2895.87,-596.3 \n-0003d620: 3238 3832 2e36 392c 2d35 3535 2e37 3322 2882.69,-555.73\"\n-0003d630: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0003d640: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-0003d650: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-0003d660: 7473 3d22 3238 3835 2e39 372c 2d35 3534 ts=\"2885.97,-554\n-0003d670: 2e34 3920 3238 3739 2e36 332c 2d35 3436 .49 2879.63,-546\n-0003d680: 2032 3837 392e 3239 2c2d 3535 362e 3539 2879.29,-556.59\n-0003d690: 2032 3838 352e 3937 2c2d 3535 342e 3439 2885.97,-554.49\n-0003d6a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0003d6b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003d6c0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-0003d6d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003d6e0: 635f 6772 6f6d 6163 735f 6d61 7468 202d c_gromacs_math -\n-0003d6f0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3431 ->.<g id=\"edge41\n-0003d700: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n-0003d710: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0003d720: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-0003d730: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-0003d740: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0003d750: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n-0003d760: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-0003db20: 6720 6964 3d22 6564 6765 3434 3122 2063 g id=\"edge441\" c\n-0003db30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0003db50: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-0003db60: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-0003db70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0003db80: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib......module_\n-0003dd50: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-0003dd60: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-0003dd70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003dd80: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-0003dd90: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..<\n-0003de60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0003de70: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0003de80: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0003de90: 3234 3136 2e32 382c 2d33 3035 2e32 3220 2416.28,-305.22 \n-0003dea0: 3234 3135 2e39 342c 2d32 3934 2e36 3320 2415.94,-294.63 \n-0003deb0: 3234 3039 2e36 312c 2d33 3033 2e31 3220 2409.61,-303.12 \n-0003dec0: 3234 3136 2e32 382c 2d33 3035 2e32 3222 2416.28,-305.22\"\n-0003ded0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....mo\n-0003df50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003df60: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-0003df70: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n-0003df80: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0003df90: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......module_\n-0003e130: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-0003e140: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-0003e150: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003e160: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0003e170: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility...\n-0003e330: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-0003e3b0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-0003e3c0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-0003e3d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003e3e0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n-0003e3f0: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n-0003e400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0003e410: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0003e420: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-0003e430: 3d22 352c 3222 2064 3d22 4d32 3036 332e =\"5,2\" d=\"M2063.\n-0003e440: 3239 2c2d 3130 3930 2e39 4332 3134 302e 29,-1090.9C2140.\n-0003e450: 3737 2c2d 3130 3832 2e33 3120 3232 3831 77,-1082.31 2281\n-0003e460: 2e39 2c2d 3130 3636 2e30 3420 3234 3032 .9,-1066.04 2402\n-0003e470: 2c2d 3130 3438 2e37 3920 3239 3734 2e35 ,-1048.79 2974.5\n-0003e480: 382c 2d39 3636 2e35 3420 3331 3236 2e34 8,-966.54 3126.4\n-0003e490: 312c 2d39 3638 2e33 3620 3336 3739 2c2d 1,-968.36 3679,-\n-0003e4a0: 3739 372e 3331 2033 3731 312e 3233 2c2d 797.31 3711.23,-\n-0003e4b0: 3738 372e 3333 2033 3731 372e 3631 2c2d 787.33 3717.61,-\n-0003e4c0: 3737 392e 3838 2033 3735 302c 2d37 3730 779.88 3750,-770\n-0003e4d0: 2e34 3420 3338 3235 2e34 2c2d 3734 382e .44 3825.4,-748.\n-0003e4e0: 3437 2033 3835 302e 3638 2c2d 3736 352e 47 3850.68,-765.\n-0003e4f0: 3037 2033 3932 332c 2d37 3334 2e34 3420 07 3923,-734.44 \n-0003e500: 3339 3430 2e39 392c 2d37 3236 2e38 3220 3940.99,-726.82 \n-0003e510: 3339 3833 2e31 2c2d 3639 362e 3832 2034 3983.1,-696.82 4\n-0003e520: 3030 392e 3938 2c2d 3637 372e 3037 222f 009.98,-677.07\"/\n-0003e530: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....mod\n-0003e620: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003e630: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0003e640: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0003e650: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-0003e660: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....<\n-0003e810: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003e820: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-0003e830: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-0003e840: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0003e850: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n-0003e860: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467 a -->..modul\n-0003e890: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-0003e8a0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-0003e8b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003e8c0: 7263 5f67 726f 6d61 6373 5f6c 696e 6561 rc_gromacs_linea\n-0003e8d0: 7261 6c67 6562 7261 3c2f 7469 746c 653e ralgebra\n-0003e8e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-0003ea20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0003ea90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n-0003eb10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0003eb20: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-0003eb30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0003eb40: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-0003eb50: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til......m\n-0003ed10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003ed20: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-0003ed30: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-0003ed40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0003ed50: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib......modu\n-0003eec0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0003eed0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-0003eee0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0003eef0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0003ef00: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec...\n-0003f030: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-0003f0b0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n-0003f0c0: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n-0003f0d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003f0e0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0003f0f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-0003f2b0: 3c67 2069 643d 2265 6467 6534 3336 2220 .module_src_\n-0003f2e0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-0003f2f0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n-0003f300: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003f310: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math..\n-0003f470: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_te\n-0003f560: 7374 7574 696c 7326 2334 353b 2667 743b stutils->\n-0003f570: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0003f580: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline......\n-0003f770: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-0003f780: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n-0003f790: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003f7a0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-0003f7b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_tes\n-0003f950: 7475 7469 6c73 2623 3435 3b26 6774 3b6d tutils->m\n-0003f960: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003f970: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options......\n-0003fb70: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-0003fb80: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n-0003fb90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003fba0: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math......module_\n-0003fd50: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n-0003fd60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003fd70: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0003fd80: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess.<\n-0003fd90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0003fda0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0003fdb0: 2220 643d 224d 3534 3835 2e38 382c 2d31 \" d=\"M5485.88,-1\n-0003fdc0: 3238 362e 3834 4334 3730 352e 3837 2c2d 286.84C4705.87,-\n-0003fdd0: 3132 3836 2e38 3420 3339 3235 2e38 352c 1286.84 3925.85,\n-0003fde0: 2d31 3238 362e 3834 2033 3134 352e 3834 -1286.84 3145.84\n-0003fdf0: 2c2d 3132 3836 2e38 3422 2f3e 0a3c 706f ,-1286.84\"/>.\n-0003fe70: 0a3c 2f67 3e0a 3c2f 673e 0a3c 2f73 7667 ....\n+000344a0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000344b0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+000344c0: 7473 3d22 3537 362e 3431 2c2d 3637 312e ts=\"576.41,-671.\n+000344d0: 3733 2035 3835 2e32 322c 2d36 3635 2e38 73 585.22,-665.8\n+000344e0: 3520 3537 342e 3637 2c2d 3636 342e 3935 5 574.67,-664.95\n+000344f0: 2035 3736 2e34 312c 2d36 3731 2e37 3322 576.41,-671.73\"\n+00034500: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....modu\n+00034580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00034590: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+000345a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000345b0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+000345c0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n+000346c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00034730: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034740: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00034750: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00034760: 735f 6d69 6d69 633c 2f74 6974 6c65 3e0a s_mimic.\n+00034770: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00034880: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00034890: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000348a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000348b0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000348c0: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->..m\n+000348f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00034900: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00034910: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00034920: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00034930: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+00034b20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00034b30: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00034b40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034b50: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+00034b60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00034b70: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00034b80: 2220 643d 224d 3138 3638 2e33 322c 2d31 \" d=\"M1868.32,-1\n+00034b90: 3232 332e 3332 4332 3036 342e 3632 2c2d 223.32C2064.62,-\n+00034ba0: 3132 3235 2e31 3320 3331 3137 2c2d 3132 1225.13 3117,-12\n+00034bb0: 3238 2e37 3920 3331 3137 2c2d 3130 3939 28.79 3117,-1099\n+00034bc0: 2e32 3320 3331 3137 2c2d 3130 3939 2e32 .23 3117,-1099.2\n+00034bd0: 3320 3331 3137 2c2d 3130 3939 2e32 3320 3 3117,-1099.23 \n+00034be0: 3331 3137 2c2d 3937 312e 3439 2033 3131 3117,-971.49 311\n+00034bf0: 372c 2d39 3334 2e35 3820 3331 3030 2e33 7,-934.58 3100.3\n+00034c00: 2c2d 3932 382e 3233 2033 3038 322c 2d38 ,-928.23 3082,-8\n+00034c10: 3936 2e31 3820 3330 3338 2e37 372c 2d38 96.18 3038.77,-8\n+00034c20: 3230 2e34 3720 3330 3135 2e39 352c 2d38 20.47 3015.95,-8\n+00034c30: 3039 2e31 3520 3239 3731 2c2d 3733 342e 09.15 2971,-734.\n+00034c40: 3434 2032 3935 342e 3733 2c2d 3730 372e 44 2954.73,-707.\n+00034c50: 3420 3239 3531 2e33 382c 2d37 3030 2e31 4 2951.38,-700.1\n+00034c60: 3520 3239 3338 2c2d 3637 312e 3537 2032 5 2938,-671.57 2\n+00034c70: 3932 352e 3138 2c2d 3634 342e 3138 2032 925.18,-644.18 2\n+00034c80: 3932 302e 342c 2d36 3337 2e37 3520 3239 920.4,-637.75 29\n+00034c90: 3132 2c2d 3630 382e 3720 3239 3036 2e39 12,-608.7 2906.9\n+00034ca0: 362c 2d35 3931 2e32 3720 3239 3033 2e35 6,-591.27 2903.5\n+00034cb0: 392c 2d35 3730 2e39 3620 3239 3031 2e35 9,-570.96 2901.5\n+00034cc0: 352c 2d35 3535 2e38 3322 2f3e 0a3c 706f 5,-555.83\"/>..\n+00034d40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n+00034dc0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00034dd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00034de0: 6d61 6373 5f72 6573 7472 6169 6e74 3c2f macs_restraint......module_src_gro\n+00034fa0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00034fb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00034fc0: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options..\n+000350e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n+000351c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000351d0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+000351e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+000351f0: 626e 786d 3c2f 7469 746c 653e 0a3c 7061 bnxm.....<\n+00035390: 6720 6964 3d22 6564 6765 3337 3922 2063 g id=\"edge379\" c\n+000353a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000353c0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000353d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000353e0: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n+000353f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..<\n+00035550: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00035560: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00035570: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00035580: 3234 3038 2e37 362c 2d34 3330 2e34 3420 2408.76,-430.44 \n+00035590: 3234 3036 2e30 312c 2d34 3230 2e32 3120 2406.01,-420.21 \n+000355a0: 3234 3031 2e37 382c 2d34 3239 2e39 3220 2401.78,-429.92 \n+000355b0: 3234 3038 2e37 362c 2d34 3330 2e34 3422 2408.76,-430.44\"\n+000355c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_grom\n+00035640: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00035650: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00035660: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat......\n+000358a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000358b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+000358c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000358d0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+000358e0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..<\n+000359a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000359b0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000359c0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000359d0: 3231 3830 2e35 2c2d 3830 372e 3535 2032 2180.5,-807.55 2\n+000359e0: 3137 372c 2d37 3937 2e35 3520 3231 3733 177,-797.55 2173\n+000359f0: 2e35 2c2d 3830 372e 3535 2032 3138 302e .5,-807.55 2180.\n+00035a00: 352c 2d38 3037 2e35 3522 2f3e 0a3c 2f67 5,-807.55\"/>....modul\n+00035a80: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00035a90: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00035aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00035ab0: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming......modu\n+00035d10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00035d20: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00035d30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00035d40: 7461 736b 6173 7369 676e 6d65 6e74 3c2f taskassignment</\n+00035d50: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00035d60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00035d70: 2272 6564 2220 643d 224d 3138 3035 2e35 \"red\" d=\"M1805.5\n+00035d80: 392c 2d31 3232 332e 3237 4331 3636 302e 9,-1223.27C1660.\n+00035d90: 3233 2c2d 3132 3234 2e33 3720 3130 3338 23,-1224.37 1038\n+00035da0: 2e34 2c2d 3132 3235 2e37 2035 3332 2c2d .4,-1225.7 532,-\n+00035db0: 3131 3734 2e35 3320 3532 352e 3239 2c2d 1174.53 525.29,-\n+00035dc0: 3131 3733 2e38 3520 3531 382e 3238 2c2d 1173.85 518.28,-\n+00035dd0: 3131 3732 2e39 3520 3531 312e 3335 2c2d 1172.95 511.35,-\n+00035de0: 3131 3731 2e39 3422 2f3e 0a3c 706f 6c79 1171.94\"/>.<poly\n+00035df0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n+00035e00: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n+00035e10: 7473 3d22 3531 312e 3731 2c2d 3131 3638 ts=\"511.71,-1168\n+00035e20: 2e34 3620 3530 312e 3239 2c2d 3131 3730 .46 501.29,-1170\n+00035e30: 2e34 2035 3130 2e36 352c 2d31 3137 352e .4 510.65,-1175.\n+00035e40: 3338 2035 3131 2e37 312c 2d31 3136 382e 38 511.71,-1168.\n+00035e50: 3436 222f 3e0a 3c2f 673e 0a3c 212d 2d20 46\"/>.</g>.<!-- \n+00035e60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00035e70: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00035e80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00035e90: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n+00035ea0: 3e0a 3c67 2069 643d 2265 6467 6533 3734 >.<g id=\"edge374\n+00035eb0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00035ec0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00035ed0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00035ee0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00035ef0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+00035f00: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils.\n+00036080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00036310: 6720 6964 3d22 6564 6765 3336 3222 2063 g id=\"edge362\" c\n+00036320: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00036340: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00036350: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00036360: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+00036370: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n+000365f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00036600: 6373 5f73 7761 703c 2f74 6974 6c65 3e0a cs_swap.\n+00036610: 3c67 2069 643d 2261 5f6e 6f64 6534 3622 ..sw\n+00036720: 6170 3c2f 7465 7874 3e0a 3c2f 613e 0a3c ap..<\n+00036730: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>....\n+000367a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000367b0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+000367c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000367d0: 6163 735f 7377 6170 3c2f 7469 746c 653e acs_swap\n+000367e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00036910: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+00036b10: 6720 6964 3d22 6e6f 6465 3432 2220 636c g id=\"node42\" cl\n+00036b20: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+00036b40: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n+00036b50: 7973 6973 3c2f 7469 746c 653e 0a3c 656c ysis..en\n+00036c10: 6572 6779 616e 616c 7973 6973 3c2f 7465 ergyanalysis....modul\n+00036ca0: 655f 7372 635f 6772 6f6d 6163 735f 656e e_src_gromacs_en\n+00036cb0: 6572 6779 616e 616c 7973 6973 2623 3435 ergyanalysis-\n+00036cc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00036cd0: 6772 6f6d 6163 735f 676d 7861 6e61 3c2f gromacs_gmxana</\n+00036ce0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00036cf0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00036d00: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+00036d10: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00036d20: 2064 3d22 4d31 3434 362e 3739 2c2d 3133 d=\"M1446.79,-13\n+00036d30: 3337 2e32 3243 3135 3033 2e39 342c 2d31 37.22C1503.94,-1\n+00036d40: 3330 392e 3039 2031 3635 382e 3636 2c2d 309.09 1658.66,-\n+00036d50: 3132 3337 2e31 3620 3137 3937 2c2d 3132 1237.16 1797,-12\n+00036d60: 3130 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6475 6c65 </g>.<!-- module\n+00036e50: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65 _src_gromacs_ene\n+00036e60: 7267 7961 6e61 6c79 7369 7326 2334 353b rgyanalysis-\n+00036e70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+00036e80: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720 estutils -->.<g \n+00036e90: 6964 3d22 6564 6765 3339 3022 2063 6c61 id=\"edge390\" cla\n+00036ea0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00036eb0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00036ec0: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n+00036ed0: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+00036ee0: 6c65 5f73 7263 5f74 6573 7475 7469 6c73 le_src_testutils\n+00036ef0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n+00037070: 6d61 6373 5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n+00037080: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00037090: 635f 6772 6f6d 6163 735f 6d61 7468 3c2f c_gromacs_math....<\n+000371b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000371c0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+000371d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000371e0: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+000371f0: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->..mo\n+00037220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00037230: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n+00037240: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00037250: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware</\n+00037260: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00037270: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00037280: 2272 6564 2220 643d 224d 3839 362e 382c \"red\" d=\"M896.8,\n+00037290: 2d33 3535 2e38 4338 3434 2e30 352c 2d33 -355.8C844.05,-3\n+000372a0: 3833 2e39 3120 3639 382e 3532 2c2d 3436 83.91 698.52,-46\n+000372b0: 342e 3437 2036 3431 2c2d 3538 312e 3833 4.47 641,-581.83\n+000372c0: 2036 3332 2e39 2c2d 3539 382e 3336 2036 632.9,-598.36 6\n+000372d0: 3239 2e34 372c 2d36 3139 2e30 3320 3632 29.47,-619.03 62\n+000372e0: 362e 362c 2d36 3334 2e35 3322 2f3e 0a3c 6.6,-634.53\"/>.<\n+000372f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+00037300: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+00037310: 706f 696e 7473 3d22 3632 332e 3038 2c2d points=\"623.08,-\n+00037320: 3633 342e 3237 2036 3234 2e35 352c 2d36 634.27 624.55,-6\n+00037330: 3434 2e37 3720 3632 392e 3934 2c2d 3633 44.77 629.94,-63\n+00037340: 352e 3635 2036 3233 2e30 382c 2d36 3334 5.65 623.08,-634\n+00037350: 2e32 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .27\"/>.</g>.<!--\n+00037360: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00037370: 6163 735f 6770 755f 7574 696c 7326 2334 acs_gpu_utils\n+00037380: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00037390: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+000373a0: 202d 2d3e 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7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00037580: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n+00037590: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000375a0: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n+000375b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000375c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000375d0: 6266 6266 6266 2220 643d 224d 3234 3936 bfbfbf\" d=\"M2496\n+000375e0: 2e33 2c2d 3130 3933 2e32 3243 3235 3232 .3,-1093.22C2522\n+000375f0: 2e35 2c2d 3130 3837 2e37 3520 3235 3632 .5,-1087.75 2562\n+00037600: 2e37 372c 2d31 3037 352e 3338 2032 3538 .77,-1075.38 258\n+00037610: 362c 2d31 3034 382e 3739 2032 3630 352e 6,-1048.79 2605.\n+00037620: 3035 2c2d 3130 3236 2e39 3920 3235 3939 05,-1026.99 2599\n+00037630: 2e31 392c 2d31 3031 342e 3631 2032 3630 .19,-1014.61 260\n+00037640: 332c 2d39 3835 2e39 3220 3236 3131 2e39 3,-985.92 2611.9\n+00037650: 362c 2d39 3138 2e34 3420 3236 3134 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3435 3b26 6774 macs_imd->\n+00037e50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00037e60: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+00037e70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n+00038040: 6720 6964 3d22 6564 6765 3430 3522 2063 g id=\"edge405\" c\n+00038050: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00038070: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+00038080: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00038090: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology..<\n+00038250: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00038260: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00038270: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00038280: 3138 3231 2e35 352c 2d32 3834 2e36 3520 1821.55,-284.65 \n+00038290: 3138 3131 2e31 362c 2d32 3836 2e37 3120 1811.16,-286.71 \n+000382a0: 3138 3230 2e35 372c 2d32 3931 2e35 3820 1820.57,-291.58 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module_src_grom\n+000391e0: 6163 735f 7574 696c 6974 7926 2334 353b acs_utility-\n+000391f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00039200: 726f 6d61 6373 5f63 6f6d 7061 7420 2d2d romacs_compat --\n+00039210: 3e0a 3c67 2069 643d 2265 6467 6534 3036 >.<g id=\"edge406\n+00039220: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00039230: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00039240: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+00039250: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00039260: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00039270: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat....<\n+00039350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00039360: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n+00039370: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00039380: 635f 7465 7374 7574 696c 7320 2d2d 3e0a c_testutils -->.\n+00039390: 3c67 2069 643d 2265 6467 6534 3038 2220 .module_src_\n+000393c0: 6772 6f6d 6163 735f 7574 696c 6974 7926 gromacs_utility&\n+000393d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000393e0: 7263 5f74 6573 7475 7469 6c73 3c2f 7469 rc_testutils..\n+000395f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00039660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00039670: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n+00039680: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00039690: 6174 683c 2f74 6974 6c65 3e0a 3c70 6174 ath......\n+000399a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000399b0: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+000399c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000399d0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+000399e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000399f0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00039a00: 6266 6266 2220 643d 224d 3135 3237 2e31 bfbf\" d=\"M1527.1\n+00039a10: 382c 2d31 3039 302e 3631 4331 3532 302e 8,-1090.61C1520.\n+00039a20: 312c 2d31 3038 382e 3634 2031 3531 322e 1,-1088.64 1512.\n+00039a30: 3235 2c2d 3130 3836 2e35 3420 3135 3035 25,-1086.54 1505\n+00039a40: 2c2d 3130 3834 2e37 3920 3134 3238 2e36 ,-1084.79 1428.6\n+00039a50: 372c 2d31 3036 362e 3332 2031 3338 342e 7,-1066.32 1384.\n+00039a60: 372c 2d31 3130 372e 3032 2031 3333 322c 7,-1107.02 1332,\n+00039a70: 2d31 3034 382e 3739 2031 3236 322e 3131 -1048.79 1262.11\n+00039a80: 2c2d 3937 312e 3537 2031 3232 322e 3134 ,-971.57 1222.14\n+00039a90: 2c2d 3635 392e 3037 2031 3239 322c 2d35 ,-659.07 1292,-5\n+00039aa0: 3831 2e38 3320 3133 3435 2e36 342c 2d35 81.83 1345.64,-5\n+00039ab0: 3232 2e35 3320 3135 3733 2e30 322c 2d35 22.53 1573.02,-5\n+00039ac0: 3637 2e34 3420 3136 3530 2c2d 3534 352e 67.44 1650,-545.\n+00039ad0: 3833 2031 3639 382e 3533 2c2d 3533 322e 83 1698.53,-532.\n+00039ae0: 3220 3137 3530 2e34 352c 2d35 3034 2e33 2 1750.45,-504.3\n+00039af0: 3820 3137 3830 2e37 352c 2d34 3836 2e36 8 1780.75,-486.6\n+00039b00: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+00039b10: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00039b20: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00039b30: 696e 7473 3d22 3137 3832 2e36 332c 2d34 ints=\"1782.63,-4\n+00039b40: 3839 2e35 3920 3137 3839 2e34 342c 2d34 89.59 1789.44,-4\n+00039b50: 3831 2e34 3820 3137 3739 2e30 352c 2d34 81.48 1779.05,-4\n+00039b60: 3833 2e35 3720 3137 3832 2e36 332c 2d34 83.57 1782.63,-4\n+00039b70: 3839 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21 89.59\"/>.</g>.<!\n+00039b80: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00039b90: 6f6d 6163 735f 7377 6170 2623 3435 3b26 omacs_swap-&\n+00039ba0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00039bb0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+00039bc0: 3c67 2069 643d 2265 6467 6534 3133 2220 <g id=\"edge413\" \n+00039bd0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00039be0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00039bf0: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n+00039c00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00039c10: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+00039c20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00039c30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00039c40: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00039c50: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00039c60: 643d 224d 3135 3237 2e34 352c 2d31 3039 d=\"M1527.45,-109\n+00039c70: 302e 3037 4331 3532 312e 3139 2c2d 3130 0.07C1521.19,-10\n+00039c80: 3838 2e32 3120 3135 3134 2e33 362c 2d31 88.21 1514.36,-1\n+00039c90: 3038 362e 3331 2031 3530 382c 2d31 3038 086.31 1508,-108\n+00039ca0: 342e 3739 2031 3432 312e 3836 2c2d 3130 4.79 1421.86,-10\n+00039cb0: 3634 2e31 3920 3133 3938 2e39 382c 2d31 64.19 1398.98,-1\n+00039cc0: 3036 352e 3520 3133 3132 2c2d 3130 3438 065.5 1312,-1048\n+00039cd0: 2e37 3920 3133 3033 2e33 322c 2d31 3034 .79 1303.32,-104\n+00039ce0: 372e 3132 2031 3239 332e 3937 2c2d 3130 7.12 1293.97,-10\n+00039cf0: 3435 2e32 3820 3132 3835 2e32 332c 2d31 45.28 1285.23,-1\n+00039d00: 3034 332e 3532 222f 3e0a 3c70 6f6c 7967 043.52\"/>.<polyg\n+00039d10: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00039d20: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00039d30: 6322 2070 6f69 6e74 733d 2231 3238 352e c\" points=\"1285.\n+00039d40: 3831 2c2d 3130 3430 2e30 3720 3132 3735 81,-1040.07 1275\n+00039d50: 2e33 322c 2d31 3034 312e 3533 2031 3238 .32,-1041.53 128\n+00039d60: 342e 3433 2c2d 3130 3436 2e39 3420 3132 4.43,-1046.94 12\n+00039d70: 3835 2e38 312c 2d31 3034 302e 3037 222f 85.81,-1040.07\"/\n+00039d80: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00039d90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00039da0: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n+00039db0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00039dc0: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n+00039dd0: 3c67 2069 643d 2265 6467 6534 3134 2220 <g id=\"edge414\" \n+00039de0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00039df0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00039e00: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n+00039e10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00039e20: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00039e30: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....\n+00039fa0: 0a3c 6720 6964 3d22 6564 6765 3431 3822 ..<\n+00039fc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00039fd0: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n+00039fe0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00039ff0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+0003a000: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gro\n+0003a230: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n+0003a240: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0003a250: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec...\n+0003a360: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0003a3d0: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+0003a3e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0003a3f0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+0003a400: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io...\n+0003a510: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0003a580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003a590: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n+0003a5a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003a5b0: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+0003a5c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+0003a720: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n+0003a920: 6720 6964 3d22 6564 6765 3431 3722 2063 g id=\"edge417\" c\n+0003a930: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0003a950: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+0003a960: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003a970: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing.....\n+0003ab50: 3c67 2069 643d 2265 6467 6534 3139 2220 .module_src_\n+0003ab80: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n+0003ab90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003aba0: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+0003abb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......mo\n+0003add0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003ade0: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n+0003adf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0003ae00: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math....\n+0003b040: 0a3c 6720 6964 3d22 6564 6765 3432 3522 ..<\n+0003b060: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003b070: 5f67 726f 6d61 6373 5f61 7768 2623 3435 _gromacs_awh-\n+0003b080: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003b090: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0003b0a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n+0003b240: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+0003b280: 0a3c 6720 6964 3d22 6564 6765 3432 3622 ..<\n+0003b2a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003b2b0: 5f67 726f 6d61 6373 5f61 7768 2623 3435 _gromacs_awh-\n+0003b2c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003b2d0: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd..\n+0003b3c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0003b480: 6720 6964 3d22 6564 6765 3432 3722 2063 g id=\"edge427\" c\n+0003b490: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0003b4b0: 726f 6d61 6373 5f61 7768 2623 3435 3b26 romacs_awh-&\n+0003b4c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0003b4d0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0003b4e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+0003b6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003b700: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+0003b710: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003b720: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+0003b730: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0003b740: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0003b750: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0003b760: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0003b770: 643d 224d 3331 3433 2e30 352c 2d31 3135 d=\"M3143.05,-115\n+0003b780: 392e 3737 4332 3936 312e 3131 2c2d 3131 9.77C2961.11,-11\n+0003b790: 3537 2e34 3620 3139 3137 2e37 322c 2d31 57.46 1917.72,-1\n+0003b7a0: 3134 322e 3931 2031 3835 392c 2d31 3131 142.91 1859,-111\n+0003b7b0: 312e 3636 2031 3735 342e 342c 2d31 3035 1.66 1754.4,-105\n+0003b7c0: 3620 3137 3733 2e32 372c 2d39 3930 2e38 6 1773.27,-990.8\n+0003b7d0: 3420 3137 3032 2c2d 3839 362e 3138 2031 4 1702,-896.18 1\n+0003b7e0: 3638 392e 3831 2c2d 3837 392e 3939 2031 689.81,-879.99 1\n+0003b7f0: 3638 322e 3532 2c2d 3837 382e 3537 2031 682.52,-878.57 1\n+0003b800: 3637 342c 2d38 3630 2e31 3820 3136 3536 674,-860.18 1656\n+0003b810: 2e33 352c 2d38 3232 2e30 3920 3136 3439 .35,-822.09 1649\n+0003b820: 2e33 342c 2d37 3733 2e31 3220 3136 3436 .34,-773.12 1646\n+0003b830: 2e36 332c 2d37 3434 2e38 3822 2f3e 0a3c .63,-744.88\"/>.<\n+0003b840: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0003b850: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0003b860: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0003b870: 3136 3530 2e31 2c2d 3734 342e 3437 2031 1650.1,-744.47 1\n+0003b880: 3634 352e 3736 2c2d 3733 342e 3820 3136 645.76,-734.8 16\n+0003b890: 3433 2e31 332c 2d37 3435 2e30 3620 3136 43.13,-745.06 16\n+0003b8a0: 3530 2e31 2c2d 3734 342e 3437 222f 3e0a 50.1,-744.47\"/>.\n+0003b8b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0003b8c0: 5f73 7263 5f67 726f 6d61 6373 5f61 7768 _src_gromacs_awh\n+0003b8d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0003b8e0: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+0003b8f0: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564 om -->.<g id=\"ed\n+0003b900: 6765 3432 3822 2063 6c61 7373 3d22 6564 ge428\" class=\"ed\n+0003b910: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0003b920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0003b930: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+0003b940: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+0003b950: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom......m\n+0003bc20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003bc30: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+0003bc40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003bc50: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n+0003bc60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+0003bd60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003bd70: 726f 6d61 6373 5f61 7768 2623 3435 3b26 romacs_awh-&\n+0003bd80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0003bd90: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n+0003bda0: 0a3c 6720 6964 3d22 6564 6765 3432 3222 ..<\n+0003bdc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003bdd0: 5f67 726f 6d61 6373 5f61 7768 2623 3435 _gromacs_awh-\n+0003bde0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003bdf0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio.....\n+0003bfe0: 3c67 2069 643d 2265 6467 6534 3239 2220 .module_src_\n+0003c010: 6772 6f6d 6163 735f 6177 6826 2334 353b gromacs_awh-\n+0003c020: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003c030: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil......module_\n+0003c1f0: 7372 635f 6772 6f6d 6163 735f 6177 6826 src_gromacs_awh&\n+0003c200: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0003c210: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0003c220: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......mo\n+0003c400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003c410: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n+0003c420: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0003c430: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n+0003c440: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003c450: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0003c460: 2220 643d 224d 3331 3432 2e38 322c 2d31 \" d=\"M3142.82,-1\n+0003c470: 3135 392e 3935 4333 3035 372e 3332 2c2d 159.95C3057.32,-\n+0003c480: 3131 3539 2e30 3520 3237 3935 2e32 392c 1159.05 2795.29,\n+0003c490: 2d31 3135 322e 3931 2032 3732 332c 2d31 -1152.91 2723,-1\n+0003c4a0: 3131 312e 3636 2032 3631 392e 3137 2c2d 111.66 2619.17,-\n+0003c4b0: 3130 3532 2e34 3120 3236 3433 2e35 352c 1052.41 2643.55,\n+0003c4c0: 2d39 3833 2e35 3920 3235 3632 2c2d 3839 -983.59 2562,-89\n+0003c4d0: 362e 3138 2032 3333 302e 3733 2c2d 3634 6.18 2330.73,-64\n+0003c4e0: 382e 3331 2032 3237 302e 3733 2c2d 3532 8.31 2270.73,-52\n+0003c4f0: 352e 3937 2031 3933 392c 2d34 3536 2e30 5.97 1939,-456.0\n+0003c500: 3920 3137 3432 2e36 342c 2d34 3134 2e37 9 1742.64,-414.7\n+0003c510: 3320 3135 3031 2e33 382c 2d34 3038 2e34 3 1501.38,-408.4\n+0003c520: 3620 3134 3036 2e37 392c 2d34 3037 2e36 6 1406.79,-407.6\n+0003c530: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>...\n+0003c5f0: 0a3c 6720 6964 3d22 6564 6765 3432 3122 ..<\n+0003c610: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003c620: 5f67 726f 6d61 6373 5f61 7768 2623 3435 _gromacs_awh-\n+0003c630: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003c640: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+0003c650: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n+0003c890: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+0003c900: 6d61 6373 5f61 7768 2623 3435 3b26 6774 macs_awh->\n+0003c910: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n+0003c920: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils....<\n+0003ca30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003ca40: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0003ca50: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0003ca60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0003ca70: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0003ca80: 7373 202d 2d3e 0a3c 6720 6964 3d22 6564 ss -->..modu\n+0003cab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0003cac0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+0003cad0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0003cae0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0003caf0: 7072 6570 726f 6365 7373 3c2f 7469 746c preprocess</titl\n+0003cb00: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0003cb10: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+0003cb20: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+0003cb30: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0003cb40: 4d33 3737 332e 3338 2c2d 3739 312e 3938 M3773.38,-791.98\n+0003cb50: 4333 3839 322e 3634 2c2d 3831 302e 3420 C3892.64,-810.4 \n+0003cb60: 3431 3637 2e38 352c 2d38 3636 2e37 3720 4167.85,-866.77 \n+0003cb70: 3430 3834 2c2d 3938 352e 3932 2033 3936 4084,-985.92 396\n+0003cb80: 312e 3435 2c2d 3131 3630 2e30 3720 3338 1.45,-1160.07 38\n+0003cb90: 3136 2e39 382c 2d31 3034 302e 3434 2033 16.98,-1040.44 3\n+0003cba0: 3633 332c 2d31 3134 372e 3636 2033 3537 633,-1147.66 357\n+0003cbb0: 382e 3339 2c2d 3131 3739 2e34 3920 3335 8.39,-1179.49 35\n+0003cbc0: 3237 2e39 372c 2d31 3233 352e 3434 2033 27.97,-1235.44 3\n+0003cbd0: 3530 332e 3135 2c2d 3132 3635 2e34 3622 503.15,-1265.46\"\n+0003cbe0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0003cbf0: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+0003cc00: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n+0003cc10: 7473 3d22 3335 3030 2e31 372c 2d31 3236 ts=\"3500.17,-126\n+0003cc20: 332e 3537 2033 3439 362e 3537 2c2d 3132 3.57 3496.57,-12\n+0003cc30: 3733 2e35 3420 3335 3035 2e36 2c2d 3132 73.54 3505.6,-12\n+0003cc40: 3637 2e39 3920 3335 3030 2e31 372c 2d31 67.99 3500.17,-1\n+0003cc50: 3236 332e 3537 222f 3e0a 3c2f 673e 0a3c 263.57\"/>.</g>.<\n+0003cc60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003cc70: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0003cc80: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0003cc90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0003cca0: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n+0003ccb0: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467 a -->.<g id=\"edg\n+0003ccc0: 6534 3339 2220 636c 6173 733d 2265 6467 e439\" class=\"edg\n+0003ccd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0003cce0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+0003ccf0: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+0003cd00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0003cd10: 7372 635f 6772 6f6d 6163 735f 616e 616c src_gromacs_anal\n+0003cd20: 7973 6973 6461 7461 3c2f 7469 746c 653e ysisdata\n+0003cd30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+0003cdb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0003cdc0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0003cdd0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0003cde0: 3339 3336 2e37 372c 2d37 3336 2e31 3520 3936.77,-736.15 \n+0003cdf0: 3339 3435 2e37 312c 2d37 3330 2e34 3720 3945.71,-730.47 \n+0003ce00: 3339 3335 2e31 382c 2d37 3239 2e33 3320 3935.18,-729.33 \n+0003ce10: 3339 3336 2e37 372c 2d37 3336 2e31 3522 3936.77,-736.15\"\n+0003ce20: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....modu\n+0003cea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0003ceb0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+0003cec0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0003ced0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+0003cee0: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h..\n+0003d030: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+0003d100: 6720 6964 3d22 6564 6765 3434 3122 2063 g id=\"edge441\" c\n+0003d110: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0003d130: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0003d140: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0003d150: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0003d160: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0003d170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+0003d310: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0003d320: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+0003d330: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n+0003d340: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0003d350: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0003d360: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory......module_src_gr\n+0003d5b0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0003d5c0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+0003d5d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0003d5e0: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology......\n+0003d7d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003d7e0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+0003d7f0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+0003d800: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003d810: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random.\n+0003d820: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gr\n+0003d9f0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0003da00: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+0003da10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0003da20: 6163 735f 7365 6c65 6374 696f 6e3c 2f74 acs_selection......module_src_gr\n+0003dbc0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0003dbd0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+0003dbe0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0003dbf0: 6163 735f 676d 7861 6e61 3c2f 7469 746c acs_gmxana......module_\n+0003de00: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+0003de10: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+0003de20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003de30: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0003de40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0003df80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+0003e1a0: 0a3c 6720 6964 3d22 6564 6765 3433 3722 ..<\n+0003e1c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003e1d0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0003e1e0: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+0003e1f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003e200: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil......mo\n+0003e5f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003e600: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n+0003e610: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+0003e620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+0003e630: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+0003e640: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003e650: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0003e660: 224d 3337 3637 2e36 352c 2d37 3734 2e33 \"M3767.65,-774.3\n+0003e670: 3743 3337 3735 2e34 342c 2d37 3733 2e30 7C3775.44,-773.0\n+0003e680: 3120 3337 3833 2e34 342c 2d37 3731 2e36 1 3783.44,-771.6\n+0003e690: 3620 3337 3931 2c2d 3737 302e 3434 2033 6 3791,-770.44 3\n+0003e6a0: 3834 362e 3432 2c2d 3736 312e 3533 2033 846.42,-761.53 3\n+0003e6b0: 3939 392e 3836 2c2d 3737 322e 3632 2034 999.86,-772.62 4\n+0003e6c0: 3034 312c 2d37 3334 2e34 3420 3430 3738 041,-734.44 4078\n+0003e6d0: 2e37 342c 2d36 3939 2e34 3120 3431 3431 .74,-699.41 4141\n+0003e6e0: 2c2d 3333 332e 3431 2034 3134 312c 2d32 ,-333.41 4141,-2\n+0003e6f0: 3831 2e39 3220 3431 3431 2c2d 3238 312e 81.92 4141,-281.\n+0003e700: 3932 2034 3134 312c 2d32 3831 2e39 3220 92 4141,-281.92 \n+0003e710: 3431 3431 2c2d 3231 372e 3035 2034 3134 4141,-217.05 414\n+0003e720: 312c 2d31 3334 2e38 3120 3430 3532 2e31 1,-134.81 4052.1\n+0003e730: 2c2d 3136 302e 3335 2033 3937 322c 2d31 ,-160.35 3972,-1\n+0003e740: 3431 2e37 3420 3338 3436 2e38 372c 2d31 41.74 3846.87,-1\n+0003e750: 3132 2e36 3720 3239 3135 2e34 372c 2d39 12.67 2915.47,-9\n+0003e760: 362e 3936 2032 3731 332e 3534 2c2d 3933 6.96 2713.54,-93\n+0003e770: 2e38 3722 2f3e 0a3c 706f 6c79 676f 6e20 .87\"/>..<\n+0003e7e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+0003e830: 3c67 2069 643d 2265 6467 6534 3435 2220 .module_src_\n+0003e860: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+0003e870: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+0003e880: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0003e890: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n+0003e8a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+0003ea60: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n+0003ea70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0003ea80: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+0003ea90: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess.<\n+0003eaa0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003eab0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0003eac0: 2220 643d 224d 3535 3234 2e35 392c 2d31 \" d=\"M5524.59,-1\n+0003ead0: 3238 362e 3834 4334 3836 382e 3335 2c2d 286.84C4868.35,-\n+0003eae0: 3132 3836 2e38 3420 3432 3132 2e31 322c 1286.84 4212.12,\n+0003eaf0: 2d31 3238 362e 3834 2033 3535 352e 3838 -1286.84 3555.88\n+0003eb00: 2c2d 3132 3836 2e38 3422 2f3e 0a3c 706f ,-1286.84\"/>.....mod\n+0003ebf0: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+0003ec00: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0003ec10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+0003ec20: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h......\n+0003edc0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0003edd0: 635f 7465 7374 7574 696c 7326 2334 353b c_testutils-\n+0003ede0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003edf0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0003ee00: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......module_src_te\n+0003f020: 7374 7574 696c 7326 2334 353b 2667 743b stutils->\n+0003f030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003f040: 6373 5f6f 7074 696f 6e73 3c2f 7469 746c cs_options....\n
\n

\n

The graph below shows the dependencies between the source code modules, computed from include statements in the code. For documented modules (those that do not have a gray background), clicking on the module takes you to the module documentation. Legend for the graph can be found below the graph.

\n

\n-
\n+
\n

\n

\n Legend

\n

The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.

\n
\n
\n

Node colors:

\n"}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "unified_diff": "@@ -61,15 +61,15 @@\n and Artem Zhmurov.

\n

Mark Abraham, Berk Hess, David van der Spoel, and Erik Lindahl.

\n

\u00a9 1991 \u2013 2000:

\n
\n

Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.

\n
\n-

\u00a9 2001 \u2013 2025:

\n+

\u00a9 2001 \u2013 2024:

\n
\n

The GROMACS development teams at the Royal Institute of Technology and\n Uppsala University, Sweden.

\n
\n

This manual is not complete and has no pretension to be so due\n to lack of time of the contributors \u2013 our first priority is to improve\n the software. It is worked on continuously,\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -25,15 +25,15 @@\n Meulenhoff, Teemu Murtola, Szil\u00c3\u00a1rd P\u00c3\u00a1ll, Sander Pronk, Roland Schulz, Michael\n Shirts, Alexey Shvetsov, Alfons Sijbers, Peter Tieleman, Teemu Virolainen,\n Christian Wennberg, Maarten Wolf, and Artem Zhmurov.\n Mark Abraham, Berk Hess, David van der Spoel, and Erik Lindahl.\n \u00c2\u00a9 1991 \u00e2\u0080\u0093 2000:\n Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00c2\u00a9 2001 \u00e2\u0080\u0093 2025:\n+\u00c2\u00a9 2001 \u00e2\u0080\u0093 2024:\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 \u00e2\u0080\u0093 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 one of the\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": "@@ -909,16 +909,16 @@\n \"2015\": [144, 145],\n \"2016\": [1, 145, 160, 161, 167, 168, 169, 170, 171, 178, 182],\n \"2017\": [36, 145, 157, 158, 160, 182, 194],\n \"2018\": [1, 25, 159, 176, 182, 183, 184, 185, 186, 187, 189, 191, 193, 201, 226],\n \"2019\": [2, 4, 28, 145, 171, 172, 173, 174, 191, 197, 198, 199, 200, 201, 226],\n \"2020\": [2, 24, 26, 36, 144, 187, 206],\n \"2021\": [198, 201, 202, 212],\n- \"2024\": 174,\n- \"2025\": [144, 155],\n+ \"2024\": [144, 174],\n+ \"2025\": 155,\n \"2026\": 181,\n \"2027\": 181,\n \"2028\": 181,\n \"2029\": 155,\n \"2031\": 174,\n \"2032\": [45, 145, 174],\n \"2033\": 155,\n"}]}]}]}]}, {"source1": "libgromacs-dev_2020.6-2_i386.deb", "source2": "libgromacs-dev_2020.6-2_i386.deb", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -1,3 +1,3 @@\n -rw-r--r-- 0 0 0 4 2021-03-29 04:45:03.000000 debian-binary\n -rw-r--r-- 0 0 0 4172 2021-03-29 04:45:03.000000 control.tar.xz\n--rw-r--r-- 0 0 0 182920 2021-03-29 04:45:03.000000 data.tar.xz\n+-rw-r--r-- 0 0 0 182912 2021-03-29 04:45:03.000000 data.tar.xz\n"}, {"source1": "control.tar.xz", "source2": "control.tar.xz", "unified_diff": null, "details": [{"source1": "control.tar", "source2": "control.tar", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "comments": ["Files differ"], "unified_diff": null}]}]}]}, {"source1": "data.tar.xz", "source2": "data.tar.xz", "unified_diff": null, "details": [{"source1": "data.tar", "source2": "data.tar", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -134,19 +134,19 @@\n -rw-r--r-- 0 root (0) root (0) 1722 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gmxapi/gmxapi-config-version.cmake\n -rw-r--r-- 0 root (0) root (0) 1181 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gmxapi/gmxapi-config.cmake\n -rw-r--r-- 0 root (0) root (0) 936 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gmxapi/gmxapi-release.cmake\n -rw-r--r-- 0 root (0) root (0) 3281 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gmxapi/gmxapi.cmake\n drwxr-xr-x 0 root (0) root (0) 0 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/\n -rw-r--r-- 0 root (0) root (0) 2025 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/gromacs-config-version.cmake\n -rw-r--r-- 0 root (0) root (0) 6215 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/gromacs-config.cmake\n--rw-r--r-- 0 root (0) root (0) 2312 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake\n+-rw-r--r-- 0 root (0) root (0) 2314 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake\n -rw-r--r-- 0 root (0) root (0) 851 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/libgromacs-release.cmake\n -rw-r--r-- 0 root (0) root (0) 3592 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs/libgromacs.cmake\n drwxr-xr-x 0 root (0) root (0) 0 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/\n--rw-r--r-- 0 root (0) root (0) 2312 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake\n+-rw-r--r-- 0 root (0) root (0) 2314 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake\n -rw-r--r-- 0 root (0) root (0) 2025 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config-version.cmake\n -rw-r--r-- 0 root (0) root (0) 6220 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config.cmake\n -rw-r--r-- 0 root (0) root (0) 857 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/libgromacs-release.cmake\n -rw-r--r-- 0 root (0) root (0) 3592 2021-03-29 04:45:03.000000 ./usr/share/gromacs/cmake/gromacs_d/libgromacs.cmake\n drwxr-xr-x 0 root (0) root (0) 0 2021-03-29 04:45:03.000000 ./usr/share/gromacs/template/\n -rw-r--r-- 0 root (0) root (0) 1851 2021-03-04 14:49:48.000000 ./usr/share/gromacs/template/CMakeLists.txt\n -rw-r--r-- 0 root (0) root (0) 1196 2021-03-04 14:49:48.000000 ./usr/share/gromacs/template/Makefile.pkg\n"}, {"source1": "./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake", "source2": "./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake", "unified_diff": "@@ -30,15 +30,15 @@\n # official version at http://www.gromacs.org.\n #\n # To help us fund GROMACS development, we humbly ask that you cite\n # the research papers on the package. Check out http://www.gromacs.org.\n \n # Setting CMAKE_SYSTEM_NAME tells CMake we are cross compiling.\n SET(CMAKE_SYSTEM_NAME \"Linux\")\n-SET(CMAKE_SYSTEM_VERSION \"6.1.0-17-amd64\")\n+SET(CMAKE_SYSTEM_VERSION \"6.1.0-17-686-pae\")\n SET(CMAKE_C_COMPILER \"/usr/bin/cc\")\n SET(CMAKE_CXX_COMPILER \"/usr/bin/c++\")\n SET(CMAKE_LINKER \"/usr/bin/ld\")\n # The following are only relevant in Mac OS X environments.\n SET(CMAKE_OSX_DEPLOYMENT_TARGET \"\" CACHE STRING \"OS X Deployment target\" FORCE)\n SET(CMAKE_OSX_ARCHITECTURES \"\")\n # Ref: https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake\n"}, {"source1": "./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake", "source2": "./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake", "unified_diff": "@@ -30,15 +30,15 @@\n # official version at http://www.gromacs.org.\n #\n # To help us fund GROMACS development, we humbly ask that you cite\n # the research papers on the package. Check out http://www.gromacs.org.\n \n # Setting CMAKE_SYSTEM_NAME tells CMake we are cross compiling.\n SET(CMAKE_SYSTEM_NAME \"Linux\")\n-SET(CMAKE_SYSTEM_VERSION \"6.1.0-17-amd64\")\n+SET(CMAKE_SYSTEM_VERSION \"6.1.0-17-686-pae\")\n SET(CMAKE_C_COMPILER \"/usr/bin/cc\")\n SET(CMAKE_CXX_COMPILER \"/usr/bin/c++\")\n SET(CMAKE_LINKER \"/usr/bin/ld\")\n # The following are only relevant in Mac OS X environments.\n SET(CMAKE_OSX_DEPLOYMENT_TARGET \"\" CACHE STRING \"OS X Deployment target\" FORCE)\n SET(CMAKE_OSX_ARCHITECTURES \"\")\n # Ref: https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake\n"}]}]}]}]}