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0a3c 6720 topology -->..\n-00003040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00003050: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-00003060: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00003070: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-00003080: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy....\n-000031c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n-000035b0: 0a3c 6720 6964 3d22 6e6f 6465 3137 2220 ..module_src_\n-000035e0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio..fileio....\n-00003720: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00003730: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00003740: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00003750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00003760: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-00003770: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00003780: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00003790: 6662 6622 2064 3d22 4d31 3733 322e 3239 fbf\" d=\"M1732.29\n-000037a0: 2c2d 3137 3133 2e35 3243 3137 3136 2e39 ,-1713.52C1716.9\n-000037b0: 392c 2d31 3637 322e 3832 2031 3636 372e 9,-1672.82 1667.\n-000037c0: 3839 2c2d 3135 3339 2e34 3820 3136 3338 89,-1539.48 1638\n-000037d0: 2c2d 3134 3236 2e30 3120 3136 3038 2e32 ,-1426.01 1608.2\n-000037e0: 382c 2d31 3331 332e 3231 2031 3538 352e 8,-1313.21 1585.\n-000037f0: 3035 2c2d 3131 3735 2e33 3520 3135 3736 05,-1175.35 1576\n-00003800: 2e35 332c 2d31 3132 312e 3922 2f3e 0a3c .53,-1121.9\"/>.<\n-00003810: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00003820: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00003830: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00003840: 3135 3739 2e39 352c 2d31 3132 312e 3135 1579.95,-1121.15\n-00003850: 2031 3537 342e 3933 2c2d 3131 3131 2e38 1574.93,-1111.8\n-00003860: 3220 3135 3733 2e30 342c 2d31 3132 322e 2 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y=\"13.37\"/>.<tex\n-00003950: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00003960: 6964 646c 6522 2078 3d22 3334 3438 2220 iddle\" x=\"3448\" \n-00003970: 793d 222d 3532 392e 3922 2066 6f6e 742d y=\"-529.9\" font-\n-00003980: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-00003990: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-000039a0: 3030 223e 7075 6c6c 696e 673c 2f74 6578 00\">pulling</tex\n-000039b0: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 t>.</g>.<!-- mod\n-000039c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000039d0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-000039e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000039f0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-00003a00: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00003a10: 3134 2220 636c 6173 733d 2265 6467 6522 14\" class=\"edge\"\n-00003a20: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00003a30: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-00003a40: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-00003a50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00003a60: 6d61 6373 5f70 756c 6c69 6e67 3c2f 7469 macs_pulling</ti\n-00003a70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00003a80: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00003a90: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00003aa0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00003ab0: 3d22 4d31 3739 352e 3435 2c2d 3137 3235 =\"M1795.45,-1725\n-00003ac0: 2e31 3343 3230 3134 2e36 2c2d 3137 3231 .13C2014.6,-1721\n-00003ad0: 2e39 3220 3237 3830 2e32 392c 2d31 3730 .92 2780.29,-170\n-00003ae0: 382e 3535 2032 3838 352c 2d31 3637 372e 8.55 2885,-1677.\n-00003af0: 3439 2033 3131 312e 3135 2c2d 3136 3130 49 3111.15,-1610\n-00003b00: 2e34 3120 3337 3331 2c2d 3132 3732 2e32 .41 3731,-1272.2\n-00003b10: 3420 3337 3331 2c2d 3130 3336 2e33 3620 4 3731,-1036.36 \n-00003b20: 3337 3331 2c2d 3130 3336 2e33 3620 3337 3731,-1036.36 37\n-00003b30: 3331 2c2d 3130 3336 2e33 3620 3337 3331 31,-1036.36 3731\n-00003b40: 2c2d 3834 352e 3735 2033 3733 312c 2d37 ,-845.75 3731,-7\n-00003b50: 3035 2e32 3520 3336 3638 2e39 332c 2d36 05.25 3668.93,-6\n-00003b60: 3636 2e37 3420 3335 3537 2c2d 3538 312e 66.74 3557,-581.\n-00003b70: 3833 2033 3533 342e 3434 2c2d 3536 342e 83 3534.44,-564.\n-00003b80: 3732 2033 3530 342e 3837 2c2d 3535 322e 72 3504.87,-552.\n-00003b90: 3036 2033 3438 322e 3233 2c2d 3534 332e 06 3482.23,-543.\n-00003ba0: 3939 222f 3e0a 3c70 6f6c 7967 6f6e 2066 99\"/>.<polygon f\n-00003bb0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00003bc0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00003bd0: 6f69 6e74 733d 2233 3438 332e 3237 2c2d oints=\"3483.27,-\n-00003be0: 3534 302e 3635 2033 3437 322e 3637 2c2d 540.65 3472.67,-\n-00003bf0: 3534 302e 3731 2033 3438 302e 3939 2c2d 540.71 3480.99,-\n-00003c00: 3534 372e 3237 2033 3438 332e 3237 2c2d 547.27 3483.27,-\n-00003c10: 3534 302e 3635 222f 3e0a 3c2f 673e 0a3c 540.65\"/>.</g>.<\n-00003c20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00003c30: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00003c40: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00003c50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00003c60: 7472 616a 6563 746f 7279 202d 2d3e 0a3c trajectory -->.<\n-00003c70: 6720 6964 3d22 6564 6765 3136 2220 636c g id=\"edge16\" cl\n-00003c80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00003c90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00003ca0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00003cb0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00003cc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00003cd0: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n-00003ce0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00003cf0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00003d00: 6662 6622 2064 3d22 4d31 3637 382e 3436 fbf\" d=\"M1678.46\n-00003d10: 2c2d 3137 3235 2e33 3243 3134 3237 2e39 ,-1725.32C1427.9\n-00003d20: 322c 2d31 3732 322e 3533 2034 3536 2e31 2,-1722.53 456.1\n-00003d30: 352c 2d31 3730 392e 3635 2034 3030 2c2d 5,-1709.65 400,-\n-00003d40: 3136 3737 2e34 3920 3332 302e 3937 2c2d 1677.49 320.97,-\n-00003d50: 3136 3332 2e32 3220 3133 372e 3731 2c2d 1632.22 137.71,-\n-00003d60: 3938 362e 3133 2031 3532 2c2d 3839 362e 986.13 152,-896.\n-00003d70: 3138 2031 3730 2e34 362c 2d37 3830 2e30 18 170.46,-780.0\n-00003d80: 3120 3234 302e 3834 2c2d 3438 322e 3836 1 240.84,-482.86\n-00003d90: 2033 3137 2c2d 3339 332e 3232 2033 3331 317,-393.22 331\n-00003da0: 2e31 332c 2d33 3736 2e35 3920 3335 322e .13,-376.59 352.\n-00003db0: 3434 2c2d 3336 342e 3836 2033 3730 2e39 44,-364.86 370.9\n-00003dc0: 392c 2d33 3537 2e31 3222 2f3e 0a3c 706f 9,-357.12\"/>.<po\n-00003dd0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00003de0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00003df0: 6266 6266 2220 706f 696e 7473 3d22 3337 bfbf\" points=\"37\n-00003e00: 322e 3336 2c2d 3336 302e 3334 2033 3830 2.36,-360.34 380\n-00003e10: 2e33 392c 2d33 3533 2e34 3220 3336 392e .39,-353.42 369.\n-00003e20: 382c 2d33 3533 2e38 3220 3337 322e 3336 8,-353.82 372.36\n-00003e30: 2c2d 3336 302e 3334 222f 3e0a 3c2f 673e ,-360.34\"/>.</g>\n-00003e40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00003e50: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00003e60: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00003e70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00003e80: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 s_options -->.<g\n-00003e90: 2069 643d 2265 6467 6532 3222 2063 6c61 id=\"edge22\" cla\n-00003ea0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00003eb0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00003ec0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00003ed0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00003ee0: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-00003ef0: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions......mo\n-000040c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000040d0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-000040e0: 3c67 2069 643d 2261 5f6e 6f64 6532 3422 \n-00004140: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-000041f0: 646f 6d64 6563 3c2f 7465 7874 3e0a 3c2f domdec......mod\n-00004280: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00004290: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-000042a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000042b0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-000042c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path 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romacs_gmxprepro\n-00004880: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00004890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000048a0: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n-000048b0: 3c67 2069 643d 2265 6467 6534 2220 636c .module_src_gr\n-000048e0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-000048f0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00004900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00004910: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline.....\n-00004ab0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00004ac0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-00004ad0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...ewald...\n-00004c00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-00004c70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00004c80: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00004c90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 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2073 fill=\"#bfbfbf\" s\n-00006420: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00006430: 706f 696e 7473 3d22 3137 3039 2e36 322c points=\"1709.62,\n-00006440: 2d34 3136 2e35 3720 3137 3139 2e30 332c -416.57 1719.03,\n-00006450: 2d34 3131 2e37 3120 3137 3038 2e36 342c -411.71 1708.64,\n-00006460: 2d34 3039 2e36 3420 3137 3039 2e36 322c -409.64 1709.62,\n-00006470: 2d34 3136 2e35 3722 2f3e 0a3c 2f67 3e0a -416.57\"/>.</g>.\n-00006480: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00006490: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-000064a0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n-000064b0: 6720 6964 3d22 6e6f 6465 3439 2220 636c g id=\"node49\" cl\n-000064c0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n-000064d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-000064e0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000064f0: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n-00006500: 0a3c 6720 6964 3d22 615f 6e6f 6465 3439 ...awh...\n-00006620: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-000066a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-000066b0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-000066c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000066d0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-000066e0: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh</titl\n-000066f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00006700: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00006710: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00006720: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00006730: 4d31 3739 352e 3737 2c2d 3137 3236 2e37 M1795.77,-1726.7\n-00006740: 3943 3138 3935 2e34 362c 2d31 3732 3720 9C1895.46,-1727 \n-00006750: 3230 3931 2e37 392c 2d31 3732 312e 3620 2091.79,-1721.6 \n-00006760: 3231 3432 2c2d 3136 3737 2e34 3920 3231 2142,-1677.49 21\n-00006770: 3635 2e38 2c2d 3136 3536 2e35 3820 3231 65.8,-1656.58 21\n-00006780: 3737 2c2d 3135 3730 2e39 3920 3231 3737 77,-1570.99 2177\n-00006790: 2c2d 3135 3339 2e33 3220 3231 3737 2c2d ,-1539.32 2177,-\n-000067a0: 3135 3339 2e33 3220 3231 3737 2c2d 3135 1539.32 2177,-15\n-000067b0: 3339 2e33 3220 3231 3737 2c2d 3134 3131 39.32 2177,-1411\n-000067c0: 2e35 3820 3231 3737 2c2d 3133 3734 2e37 .58 2177,-1374.7\n-000067d0: 3320 3231 3632 2e38 312c 2d31 3333 332e 3 2162.81,-1333.\n-000067e0: 3835 2032 3135 322e 3737 2c2d 3133 3039 85 2152.77,-1309\n-000067f0: 2e35 3322 2f3e 0a3c 706f 6c79 676f 6e20 .53\"/>.<polygon \n-00006800: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-00006810: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00006820: 706f 696e 7473 3d22 3231 3535 2e39 322c points=\"2155.92,\n-00006830: 2d31 3330 372e 3939 2032 3134 382e 3737 -1307.99 2148.77\n-00006840: 2c2d 3133 3030 2e31 3720 3231 3439 2e34 ,-1300.17 2149.4\n-00006850: 382c 2d31 3331 302e 3735 2032 3135 352e 8,-1310.75 2155.\n-00006860: 3932 2c2d 3133 3037 2e39 3922 2f3e 0a3c 92,-1307.99\"/>.<\n-00006870: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00006880: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n-00006890: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n-000068a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000068b0: 5f74 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 _topology -->.<g\n-000068c0: 2069 643d 2265 6467 6532 3422 2063 6c61 id=\"edge24\" cla\n-000068d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000068e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000068f0: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n-00006900: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00006910: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-00006920: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy....<\n-00006a40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00006a50: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00006a60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00006a70: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00006a80: 6563 746f 7279 202d 2d3e 0a3c 6720 6964 ectory -->..m\n-00006ab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00006ac0: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n-00006ad0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00006ae0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00006af0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.\n-00006c80: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n-00006cf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-00006d70: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n-00006d80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00006d90: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n-00006da0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00006e80: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-00006f40: 7372 635f 6772 6f6d 6163 735f 6f6e 6c69 src_gromacs_onli\n-00006f50: 6e65 6865 6c70 3c2f 7469 746c 653e 0a3c nehelp.<\n-00006f60: 6720 6964 3d22 615f 6e6f 6465 3239 223e g id=\"a_node29\">\n-00006f70: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..onlinehel\n-00007080: 703c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f p.....\n-00007100: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00007110: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n-00007120: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n-00007130: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007140: 6f6e 6c69 6e65 6865 6c70 3c2f 7469 746c onlinehelp</titl\n-00007150: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00007160: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00007170: 3266 6363 2220 643d 224d 3831 322e 3739 2fcc\" d=\"M812.79\n-00007180: 2c2d 3134 3631 2e38 3643 3832 332e 3937 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3835 2c2d 3131 3231 2e32 3422 2f3e 0a3c 85,-1121.24\"/>.<\n-00007280: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00007290: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n-000072a0: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n-000072b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000072c0: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720 _utility -->.<g \n-000072d0: 6964 3d22 6564 6765 3235 2220 636c 6173 id=\"edge25\" clas\n-000072e0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-000072f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00007300: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n-00007310: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00007320: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00007330: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n-000077b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000077c0: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n-000077d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000077e0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil</\n-000077f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00007800: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00007810: 2223 6266 6266 6266 2220 643d 224d 3831 \"#bfbfbf\" d=\"M81\n-00007820: 392e 3035 2c2d 3134 3632 2e34 3143 3832 9.05,-1462.41C82\n-00007830: 392e 3333 2c2d 3134 3532 2e37 3920 3834 9.33,-1452.79 84\n-00007840: 332e 3839 2c2d 3134 3338 2e38 3420 3835 3.89,-1438.84 85\n-00007850: 362c 2d31 3432 362e 3031 2039 3832 2e36 6,-1426.01 982.6\n-00007860: 2c2d 3132 3931 2e38 3520 3133 3135 2e32 ,-1291.85 1315.2\n-00007870: 332c 2d39 3632 2e31 3620 3133 3938 2c2d 3,-962.16 1398,-\n-00007880: 3739 372e 3331 2031 3433 322e 3933 2c2d 797.31 1432.93,-\n-00007890: 3732 372e 3735 2031 3432 302e 3339 2c2d 727.75 1420.39,-\n-000078a0: 3530 392e 3531 2031 3437 372c 2d34 3536 509.51 1477,-456\n-000078b0: 2e30 3920 3134 3933 2e36 392c 2d34 3430 .09 1493.69,-440\n-000078c0: 2e33 3420 3136 3337 2e33 382c 2d34 3231 .34 1637.38,-421\n-000078d0: 2e30 3820 3137 3038 2e39 2c2d 3431 322e .08 1708.9,-412.\n-000078e0: 3335 222f 3e0a 3c70 6f6c 7967 6f6e 2066 35\"/>.<polygon f\n-000078f0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-00007900: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-00007910: 6f69 6e74 733d 2231 3730 392e 342c 2d34 oints=\"1709.4,-4\n-00007920: 3135 2e38 3220 3137 3138 2e39 312c 2d34 15.82 1718.91,-4\n-00007930: 3131 2e31 3420 3137 3038 2e35 362c 2d34 11.14 1708.56,-4\n-00007940: 3038 2e38 3720 3137 3039 2e34 2c2d 3431 08.87 1709.4,-41\n-00007950: 352e 3832 222f 3e0a 3c2f 673e 0a3c 212d 5.82\"/>.</g>.<!-\n-00007960: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00007970: 6d61 6373 5f74 6f6f 6c73 202d 2d3e 0a3c macs_tools -->.<\n-00007980: 6720 6964 3d22 6e6f 6465 3422 2063 6c61 g id=\"node4\" cla\n-00007990: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n-000079a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000079b0: 6d61 6373 5f74 6f6f 6c73 3c2f 7469 746c macs_tools</titl\n-000079c0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n-000079d0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-000079e0: 653d 2262 6c61 636b 2220 6378 3d22 3135 e=\"black\" cx=\"15\n-000079f0: 3732 2220 6379 3d22 2d31 3738 392e 3822 72\" cy=\"-1789.8\"\n-00007a00: 2072 783d 2232 3722 2072 793d 2231 332e rx=\"27\" ry=\"13.\n-00007a10: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.<text text\n-00007a20: 2d61 6e63 686f 723d 226d 6964 646c 6522 -anchor=\"middle\"\n-00007a30: 2078 3d22 3135 3732 2220 793d 222d 3137 x=\"1572\" y=\"-17\n-00007a40: 3837 2e33 2220 666f 6e74 2d66 616d 696c 87.3\" font-famil\n-00007a50: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n-00007a60: 742d 7369 7a65 3d22 3130 2e30 3022 3e74 t-size=\"10.00\">t\n-00007a70: 6f6f 6c73 3c2f 7465 7874 3e0a 3c2f 673e ools</text>.</g>\n-00007a80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00007a90: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n-00007aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00007ab0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00007ac0: 7072 6f63 6573 7320 2d2d 3e0a 3c67 2069 process -->.<g i\n-00007ad0: 643d 2265 6467 6533 3222 2063 6c61 7373 d=\"edge32\" class\n-00007ae0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00007af0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00007b00: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n-00007b10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00007b20: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00007b30: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mo\n-00007c90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00007ca0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n-00007cb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007cc0: 735f 7365 6c65 6374 696f 6e3c 2f74 6974 s_selection</tit\n-00007cd0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00007ce0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-00007cf0: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n-00007d00: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00007d10: 3135 3435 2e33 392c 2d31 3738 372e 3431 1545.39,-1787.41\n-00007d20: 4331 3430 392e 3437 2c2d 3137 3739 2e39 C1409.47,-1779.9\n-00007d30: 3920 3739 392c 2d31 3734 322e 3336 2037 9 799,-1742.36 7\n-00007d40: 3939 2c2d 3136 3635 2e30 3620 3739 392c 99,-1665.06 799,\n-00007d50: 2d31 3636 352e 3036 2037 3939 2c2d 3136 -1665.06 799,-16\n-00007d60: 3635 2e30 3620 3739 392c 2d31 3630 302e 65.06 799,-1600.\n-00007d70: 3139 2037 3939 2c2d 3135 3634 2e39 3220 19 799,-1564.92 \n-00007d80: 3830 312e 3837 2c2d 3135 3234 2e30 3920 801.87,-1524.09 \n-00007d90: 3830 332e 3933 2c2d 3134 3939 2e32 3822 803.93,-1499.28\"\n-00007da0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00007db0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-00007dc0: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n-00007dd0: 3830 372e 3434 2c2d 3134 3939 2e33 3420 807.44,-1499.34 \n-00007de0: 3830 342e 3831 2c2d 3134 3839 2e30 3820 804.81,-1489.08 \n-00007df0: 3830 302e 3437 2c2d 3134 3938 2e37 3420 800.47,-1498.74 \n-00007e00: 3830 372e 3434 2c2d 3134 3939 2e33 3422 807.44,-1499.34\"\n-00007e10: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00007e20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007e30: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-00007e40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00007e50: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n-00007e60: 6964 3d22 6564 6765 3335 2220 636c 6173 id=\"edge35\" clas\n-00007e70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00007e80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00007e90: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-00007ea0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00007eb0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n-00007ec0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00007ed0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00007ee0: 6266 6266 6266 2220 643d 224d 3135 3938 bfbfbf\" d=\"M1598\n-00007ef0: 2e39 2c2d 3137 3838 2e31 3843 3137 3136 .9,-1788.18C1716\n-00007f00: 2e38 352c 2d31 3738 352e 3320 3231 3835 .85,-1785.3 2185\n-00007f10: 2c2d 3137 3731 2e39 3520 3232 3432 2c2d ,-1771.95 2242,-\n-00007f20: 3137 3430 2e33 3620 3232 3738 2e32 352c 1740.36 2278.25,\n-00007f30: 2d31 3732 302e 3237 2032 3239 372c 2d31 -1720.27 2297,-1\n-00007f40: 3730 362e 3520 3232 3937 2c2d 3136 3635 706.5 2297,-1665\n-00007f50: 2e30 3620 3232 3937 2c2d 3136 3635 2e30 .06 2297,-1665.0\n-00007f60: 3620 3232 3937 2c2d 3136 3635 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romacs_tools-\n-000084d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000084e0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-000084f0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces......modul\n-000088b0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-000088c0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-000088d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000088e0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib..\n-00008ac0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-00008bb0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-00008bc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00008bd0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio......mo\n-00008dc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00008dd0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n-00008de0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008df0: 735f 7472 616a 6563 746f 7279 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ent...task\n-0000a370: 6173 7369 676e 6d65 6e74 3c2f 7465 7874 assignment...\n-0000a390: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n-0000a410: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-0000a420: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000a430: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0000a440: 656e 743c 2f74 6974 6c65 3e0a 3c70 6174 ent......modul\n-0000a690: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0000a6a0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-0000a6b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-0000a6c0: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom...\n-0000a860: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-0000a8d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000a8e0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n-0000a8f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000a900: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n-0000a910: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000a920: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000a930: 6662 6622 2064 3d22 4d31 3534 352e 322c fbf\" d=\"M1545.2,\n-0000a940: 2d31 3738 372e 3236 4331 3434 382e 3332 -1787.26C1448.32\n-0000a950: 2c2d 3137 3831 2e30 3120 3131 3232 2c2d ,-1781.01 1122,-\n-0000a960: 3137 3533 2e33 3720 3131 3232 2c2d 3136 1753.37 1122,-16\n-0000a970: 3635 2e30 3620 3131 3232 2c2d 3136 3635 65.06 1122,-1665\n-0000a980: 2e30 3620 3131 3232 2c2d 3136 3635 2e30 .06 1122,-1665.0\n-0000a990: 3620 3131 3232 2c2d 3134 3734 2e34 3520 6 1122,-1474.45 \n-0000a9a0: 3131 3232 2c2d 3133 3536 2e34 3920 3131 1122,-1356.49 11\n-0000a9b0: 3331 2e30 352c 2d31 3332 362e 3935 2031 31.05,-1326.95 1\n-0000a9c0: 3135 302c 2d31 3231 302e 3533 2031 3135 150,-1210.53 115\n-0000a9d0: 342e 3032 2c2d 3131 3835 2e38 3220 3132 4.02,-1185.82 12\n-0000a9e0: 3336 2e33 362c 2d37 3933 2e31 2031 3234 36.36,-793.1 124\n-0000a9f0: 372c 2d37 3730 2e34 3420 3132 3535 2e36 7,-770.44 1255.6\n-0000aa00: 322c 2d37 3532 2e30 3920 3132 3633 2e37 2,-752.09 1263.7\n-0000aa10: 322c 2d37 3531 2e32 3820 3132 3735 2c2d 2,-751.28 1275,-\n-0000aa20: 3733 342e 3434 2031 3331 342e 3633 2c2d 734.44 1314.63,-\n-0000aa30: 3637 352e 3235 2031 3337 352e 3239 2c2d 675.25 1375.29,-\n-0000aa40: 3439 362e 3434 2031 3433 342c 2d34 3536 496.44 1434,-456\n-0000aa50: 2e30 3920 3134 3536 2e33 312c 2d34 3430 .09 1456.31,-440\n-0000aa60: 2e37 3620 3136 3238 2e36 312c 2d34 3230 .76 1628.61,-420\n-0000aa70: 2e35 3620 3137 3038 2e35 332c 2d34 3131 .56 1708.53,-411\n-0000aa80: 2e39 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .9\"/>.<polygon f\n-0000aa90: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0000aaa0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0000aab0: 6f69 6e74 733d 2231 3730 392e 3135 2c2d oints=\"1709.15,-\n-0000aac0: 3431 352e 3335 2031 3731 382e 3732 2c2d 415.35 1718.72,-\n-0000aad0: 3431 302e 3820 3137 3038 2e34 2c2d 3430 410.8 1708.4,-40\n-0000aae0: 382e 3339 2031 3730 392e 3135 2c2d 3431 8.39 1709.15,-41\n-0000aaf0: 352e 3335 222f 3e0a 3c2f 673e 0a3c 212d 5.35\"/>.</g>.<!-\n-0000ab00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0000ab10: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n-0000ab20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000ab30: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n-0000ab40: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-0000ab50: 6535 3422 2063 6c61 7373 3d22 6564 6765 e54\" class=\"edge\n-0000ab60: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000ab70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0000ab80: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-0000ab90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000aba0: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-0000abb0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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2032 3538 302c 2d35 3936 2e32 3720 27 2580,-596.27 \n-0000acb0: 3235 3830 2c2d 3436 382e 3533 2032 3538 2580,-468.53 258\n-0000acc0: 302c 2d34 3334 2e37 2032 3538 322e 3931 0,-434.7 2582.91\n-0000acd0: 2c2d 3432 342e 3035 2032 3536 392c 2d33 ,-424.05 2569,-3\n-0000ace0: 3933 2e32 3220 3235 3634 2e33 362c 2d33 93.22 2564.36,-3\n-0000acf0: 3832 2e39 3320 3235 3536 2e38 372c 2d33 82.93 2556.87,-3\n-0000ad00: 3733 2e31 3320 3235 3530 2e31 332c 2d33 73.13 2550.13,-3\n-0000ad10: 3635 2e30 3622 2f3e 0a3c 706f 6c79 676f 65.06\"/>.<polygo\n-0000ad20: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-0000ad30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000ad40: 2220 706f 696e 7473 3d22 3235 3532 2e36 \" points=\"2552.6\n-0000ad50: 392c 2d33 3632 2e36 3620 3235 3433 2e35 9,-362.66 2543.5\n-0000ad60: 332c 2d33 3537 2e33 3420 3235 3437 2e33 3,-357.34 2547.3\n-0000ad70: 372c 2d33 3637 2e32 3120 3235 3532 2e36 7,-367.21 2552.6\n-0000ad80: 392c 2d33 3632 2e36 3622 2f3e 0a3c 2f67 9,-362.66\"/>.</g\n-0000ad90: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000ada0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0000adb0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000adc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n-0000add0: 6820 2d2d 3e0a 3c67 2069 643d 2265 6467 h -->.<g id=\"edg\n-0000ade0: 6535 3022 2063 6c61 7373 3d22 6564 6765 e50\" class=\"edge\n-0000adf0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000ae00: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0000ae10: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-0000ae20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ae30: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math.\n-0000af60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n-0000b040: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000b050: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n-0000b060: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000b070: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n-0000b080: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000b090: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000b0a0: 6266 6266 6266 2220 643d 224d 3232 3633 bfbfbf\" d=\"M2263\n-0000b0b0: 2e32 362c 2d31 3335 362e 3135 4332 3138 .26,-1356.15C218\n-0000b0c0: 372e 3337 2c2d 3133 3637 2e35 3820 3230 7.37,-1367.58 20\n-0000b0d0: 3033 2e37 372c 2d31 3339 3420 3139 3138 03.77,-1394 1918\n-0000b0e0: 2e36 312c 2d31 3430 352e 3736 222f 3e0a .61,-1405.76\"/>.\n-0000b0f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0000b100: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-0000b110: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-0000b120: 2231 3931 372e 3931 2c2d 3134 3032 2e33 \"1917.91,-1402.3\n-0000b130: 3220 3139 3038 2e34 382c 2d31 3430 372e 2 1908.48,-1407.\n-0000b140: 3135 2031 3931 382e 3837 2c2d 3134 3039 15 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7065 7326 gromacs_mdtypes&\n-0000b450: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000b460: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0000b470: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o.....\n-0000b620: 3c67 2069 643d 2265 6467 6535 3822 2063 .module_src_g\n-0000b650: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-0000b660: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000b670: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-0000b680: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......<\n-0000b8c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000b8d0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0000b8e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000b8f0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0000b900: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d...\n-0000bab0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-0000bb20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d 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756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000bdf0: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n-0000be00: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000be10: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000be20: 2220 643d 224d 3233 3334 2e39 332c 2d31 \" d=\"M2334.93,-1\n-0000be30: 3334 372e 3835 4332 3437 312e 3635 2c2d 347.85C2471.65,-\n-0000be40: 3133 3434 2e36 3520 3239 3337 2e38 372c 1344.65 2937.87,\n-0000be50: 2d31 3333 312e 3934 2033 3038 342c 2d31 -1331.94 3084,-1\n-0000be60: 3330 302e 3237 2033 3135 332e 3435 2c2d 300.27 3153.45,-\n-0000be70: 3132 3835 2e32 3220 3333 3332 2e36 352c 1285.22 3332.65,\n-0000be80: 2d31 3232 392e 3233 2033 3337 382c 2d31 -1229.23 3378,-1\n-0000be90: 3137 342e 3533 2033 3432 312e 3636 2c2d 174.53 3421.66,-\n-0000bea0: 3131 3231 2e38 3720 3333 3939 2e30 392c 1121.87 3399.09,\n-0000beb0: 2d31 3039 302e 3332 2033 3339 382c 2d31 -1090.32 3398,-1\n-0000bec0: 3032 312e 3932 2033 3339 372e 3536 2c2d 021.92 3397.56,-\n-0000bed0: 3939 332e 3937 2033 3339 372e 3737 2c2d 993.97 3397.77,-\n-0000bee0: 3938 362e 3935 2033 3339 362c 2d39 3539 986.95 3396,-959\n-0000bef0: 2e30 3520 3333 3934 2e32 322c 2d39 3331 .05 3394.22,-931\n-0000bf00: 2e30 3420 3333 3932 2e38 392c 2d39 3234 .04 3392.89,-924\n-0000bf10: 2e31 2033 3339 302c 2d38 3936 2e31 3820 .1 3390,-896.18 \n-0000bf20: 3333 3837 2e31 312c 2d38 3638 2e32 3120 3387.11,-868.21 \n-0000bf30: 3333 3836 2e35 352c 2d38 3631 2e32 2033 3386.55,-861.2 3\n-0000bf40: 3338 332c 2d38 3333 2e33 3120 3333 3739 383,-833.31 3379\n-0000bf50: 2e34 342c 2d38 3035 2e33 3120 3333 3739 .44,-805.31 3379\n-0000bf60: 2e39 2c2d 3739 382e 3034 2033 3337 342c .9,-798.04 3374,\n-0000bf70: 2d37 3730 2e34 3420 3333 3439 2e35 372c -770.44 3349.57,\n-0000bf80: 2d36 3536 2e31 3320 3333 3333 2e32 332c -656.13 3333.23,\n-0000bf90: 2d36 3330 2e30 3920 3332 3937 2c2d 3531 -630.09 3297,-51\n-0000bfa0: 382e 3936 2033 3238 372e 3837 2c2d 3439 8.96 3287.87,-49\n-0000bfb0: 302e 3935 2033 3239 362e 3637 2c2d 3437 0.95 3296.67,-47\n-0000bfc0: 372e 3038 2033 3237 362c 2d34 3536 2e30 7.08 3276,-456.0\n-0000bfd0: 3920 3332 3531 2e37 322c 2d34 3331 2e34 9 3251.72,-431.4\n-0000bfe0: 3420 3332 3134 2e31 392c 2d34 3139 2e33 4 3214.19,-419.3\n-0000bff0: 3120 3331 3835 2e37 352c 2d34 3133 2e33 1 3185.75,-413.3\n-0000c000: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.....module_\n-0000c0f0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0000c100: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n-0000c110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-0000c120: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n-0000c130: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000c140: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000c150: 2220 643d 224d 3232 3538 2e37 332c 2d31 \" d=\"M2258.73,-1\n-0000c160: 3334 382e 3138 4332 3132 342e 3231 2c2d 348.18C2124.21,-\n-0000c170: 3133 3435 2e35 3420 3136 3736 2e37 392c 1345.54 1676.79,\n-0000c180: 2d31 3332 392e 3733 2031 3537 362c 2d31 -1329.73 1576,-1\n-0000c190: 3233 372e 3420 3135 3331 2e38 392c 2d31 237.4 1531.89,-1\n-0000c1a0: 3139 362e 3939 2031 3533 382e 3835 2c2d 196.99 1538.85,-\n-0000c1b0: 3131 3730 2e34 3920 3135 3238 2c2d 3131 1170.49 1528,-11\n-0000c1c0: 3131 2e36 3620 3135 3233 2e37 322c 2d31 11.66 1523.72,-1\n-0000c1d0: 3038 382e 3437 2031 3531 392e 3337 2c2d 088.47 1519.37,-\n-0000c1e0: 3930 372e 3939 2031 3535 392c 2d37 3730 907.99 1559,-770\n-0000c1f0: 2e34 3420 3135 3939 2e31 362c 2d36 3331 .44 1599.16,-631\n-0000c200: 2e30 3620 3136 3931 2e39 352c 2d34 3830 .06 1691.95,-480\n-0000c210: 2e39 3920 3137 3331 2e33 312c 2d34 3237 .99 1731.31,-427\n-0000c220: 2e37 3622 2f3e 0a3c 706f 6c79 676f 6e20 .76\"/>...\n-0000c2a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n-0000c780: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c790: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n-0000c7a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000c7b0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n-0000c7c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c7d0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0000c7e0: 636b 2220 643d 224d 3234 3937 2e36 362c ck\" d=\"M2497.66,\n-0000c7f0: 2d33 3432 2e31 4332 3331 342e 3431 2c2d -342.1C2314.41,-\n-0000c800: 3333 382e 3738 2031 3534 332e 3236 2c2d 338.78 1543.26,-\n-0000c810: 3332 332e 3331 2031 3330 342c 2d32 3934 323.31 1304,-294\n-0000c820: 2e33 3520 3130 3237 2e30 332c 2d32 3630 .35 1027.03,-260\n-0000c830: 2e38 3220 3935 392e 3438 2c2d 3233 362e .82 959.48,-236.\n-0000c840: 3938 2036 3839 2c2d 3136 382e 3631 2035 98 689,-168.61 5\n-0000c850: 3935 2e33 372c 2d31 3434 2e39 3420 3537 95.37,-144.94 57\n-0000c860: 322e 332c 2d31 3337 2e32 3220 3438 312c 2.3,-137.22 481,\n-0000c870: 2d31 3035 2e37 3420 3438 302e 3238 2c2d -105.74 480.28,-\n-0000c880: 3130 352e 3439 2034 3739 2e35 362c 2d31 105.49 479.56,-1\n-0000c890: 3035 2e32 3420 3437 382e 3832 2c2d 3130 05.24 478.82,-10\n-0000c8a0: 342e 3938 222f 3e0a 3c70 6f6c 7967 6f6e 4.98\"/>.<polygon\n-0000c8b0: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n-0000c8c0: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n-0000c8d0: 6e74 733d 2234 3739 2e38 322c 2d31 3031 nts=\"479.82,-101\n-0000c8e0: 2e36 3220 3436 392e 3233 2c2d 3130 312e .62 469.23,-101.\n-0000c8f0: 3434 2034 3737 2e34 2c2d 3130 382e 3138 44 477.4,-108.18\n-0000c900: 2034 3739 2e38 322c 2d31 3031 2e36 3222 479.82,-101.62\"\n-0000c910: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000c920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c930: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n-0000c940: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000c950: 6d61 6373 5f68 6172 6477 6172 6520 2d2d macs_hardware --\n-0000c960: 3e0a 3c67 2069 643d 2265 6467 6536 3222 >.<g id=\"edge62\"\n-0000c970: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000c980: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000c990: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0000c9a0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0000c9b0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-0000c9c0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-0000c9d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000c9e0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-0000c9f0: 224d 3235 3637 2e35 322c 2d33 3335 2e31 \"M2567.52,-335.1\n-0000ca00: 3443 3236 3137 2e34 342c 2d33 3233 2e36 4C2617.44,-323.6\n-0000ca10: 3920 3237 3136 2e33 322c 2d33 3032 2e31 9 2716.32,-302.1\n-0000ca20: 3820 3237 3733 2e35 342c 2d32 3930 2e33 8 2773.54,-290.3\n-0000ca30: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.\n-0000caa0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-0000caf0: 6720 6964 3d22 6564 6765 3631 2220 636c g id=\"edge61\" cl\n-0000cb00: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000cb20: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n-0000cb30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000cb40: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0000cb50: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......modu\n-0000ccd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000cce0: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n-0000ccf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000cd00: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-0000cd10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-0000ce90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000cea0: 6373 5f67 6d78 6c69 6226 2334 353b 2667 cs_gmxlib-&g\n-0000ceb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000cec0: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math</title\n-0000ced0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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636c g id=\"edge89\" cl\n-00010350: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00010360: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00010370: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-00010380: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-00010390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000103a0: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n-000103b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000103c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000103d0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-000103e0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000103f0: 4d32 3030 382e 3239 2c2d 3738 312e 3931 M2008.29,-781.91\n-00010400: 4331 3835 332e 352c 2d37 3736 2e31 3820 C1853.5,-776.18 \n-00010410: 3134 3733 2e32 352c 2d37 3431 2e36 3920 1473.25,-741.69 \n-00010420: 3132 3435 2c2d 3534 352e 3833 2031 3231 1245,-545.83 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text>.</a>.</g>.\n-000106e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-000106f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n-00010700: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n-00010710: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00010720: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-00010730: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->.<g id\n-00010740: 3d22 6564 6765 3835 2220 636c 6173 733d =\"edge85\" class=\n-00010750: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00010760: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010770: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-00010780: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-00010790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000107a0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n-000107b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000107c0: 6e6f 6e65 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3034 2e37 3 3020.58,-904.7\n-000108b0: 3120 3330 3130 2e39 342c 2d39 3030 2e33 1 3010.94,-900.3\n-000108c0: 3320 3330 3130 2e33 312c 2d39 3037 2e33 3 3010.31,-907.3\n-000108d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-000108e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000108f0: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-00010900: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n-00010910: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n-00010920: 6375 7469 6c20 2d2d 3e0a 3c67 2069 643d cutil -->.<g id=\n-00010930: 2265 6467 6538 3722 2063 6c61 7373 3d22 \"edge87\" class=\"\n-00010940: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00010950: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00010960: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-00010970: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n-00010980: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n-00010990: 6375 7469 6c3c 2f74 6974 6c65 3e0a 3c70 cutil......m\n-00010b20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010b30: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00010b40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00010b50: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-00010b60: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......mod\n-00010d40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00010d50: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n-00010d60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00010d70: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-00010d80: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls..<\n-00010e50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00010e60: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00010e70: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00010e80: 3235 3635 2e36 342c 2d33 3538 2e37 3820 2565.64,-358.78 \n-00010e90: 3235 3535 2e34 362c 2d33 3535 2e38 3220 2555.46,-355.82 \n-00010ea0: 3235 3631 2e35 382c 2d33 3634 2e34 3820 2561.58,-364.48 \n-00010eb0: 3235 3635 2e36 342c 2d33 3538 2e37 3822 2565.64,-358.78\"\n-00010ec0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-00010f30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00010f40: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-00010f50: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-00010f60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010f70: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-00010f80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00010f90: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00010fa0: 6266 6266 2220 643d 224d 3239 3232 2e31 bfbf\" d=\"M2922.1\n-00010fb0: 372c 2d39 3835 2e30 3543 3238 3535 2e39 7,-985.05C2855.9\n-00010fc0: 392c 2d31 3032 352e 3636 2032 3633 362e 9,-1025.66 2636.\n-00010fd0: 3137 2c2d 3131 3630 2e30 3320 3236 3032 17,-1160.03 2602\n-00010fe0: 2c2d 3131 3734 2e35 3320 3235 3536 2e30 ,-1174.53 2556.0\n-00010ff0: 392c 2d31 3139 342e 3031 2032 3530 302e 9,-1194.01 2500.\n-00011000: 3134 2c2d 3132 3037 2e37 3820 3234 3633 14,-1207.78 2463\n-00011010: 2e36 2c2d 3132 3135 2e35 3322 2f3e 0a3c .6,-1215.53\"/>.<\n-00011020: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00011030: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00011040: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00011050: 3234 3632 2e34 352c 2d31 3231 322e 3220 2462.45,-1212.2 \n-00011060: 3234 3533 2e33 372c 2d31 3231 372e 3636 2453.37,-1217.66\n-00011070: 2032 3436 332e 3837 2c2d 3132 3139 2e30 2463.87,-1219.0\n-00011080: 3520 3234 3632 2e34 352c 2d31 3231 322e 5 2462.45,-1212.\n-00011090: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-000110a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000110b0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-000110c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000110d0: 7263 5f67 726f 6d61 6373 5f6d 6174 6820 rc_gromacs_math \n-000110e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000110f0: 3033 2220 636c 6173 733d 2265 6467 6522 03\" class=\"edge\"\n-00011100: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00011110: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00011120: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-00011130: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00011140: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math</title\n-00011150: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00011160: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-00011170: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-00011180: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00011190: 3238 3930 2e31 362c 2d39 3731 2e35 3943 2890.16,-971.59C\n-000111a0: 3237 3332 2e39 322c 2d39 3731 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6539 3622 2063 6c61 7373 d=\"edge96\" class\n-00011380: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00011390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000113a0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-000113b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000113c0: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-000113d0: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy......mo\n-000115f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011600: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-00011610: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00011620: 635f 6772 6f6d 6163 735f 6c69 6e65 6172 c_gromacs_linear\n-00011630: 616c 6765 6272 613c 2f74 6974 6c65 3e0a algebra.\n-00011640: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00011740: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-000117b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00011800: 3c67 2069 643d 2265 6467 6539 3922 2063 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3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00011da0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-00011e90: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00011ea0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-00011eb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00011ec0: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n-00011ed0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00011ee0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00011ef0: 3238 3266 6363 2220 643d 224d 3239 3932 282fcc\" d=\"M2992\n-00011f00: 2e32 322c 2d39 3732 2e33 3443 3331 3231 .22,-972.34C3121\n-00011f10: 2e32 322c 2d39 3731 2e32 3620 3334 3536 .22,-971.26 3456\n-00011f20: 2e30 322c 2d39 3437 2e34 3220 3335 3531 .02,-947.42 3551\n-00011f30: 2c2d 3733 342e 3434 2033 3630 302e 3533 ,-734.44 3600.53\n-00011f40: 2c2d 3632 332e 3337 2033 3532 322e 3935 ,-623.37 3522.95\n-00011f50: 2c2d 3235 382e 3635 2033 3431 342c 2d32 ,-258.65 3414,-2\n-00011f60: 3034 2e36 3120 3333 3132 2e39 352c 2d31 04.61 3312.95,-1\n-00011f70: 3534 2e34 3920 3135 3331 2e35 362c 2d31 54.49 1531.56,-1\n-00011f80: 3535 2e35 3920 3132 3434 2e38 312c 2d31 55.59 1244.81,-1\n-00011f90: 3536 2e30 3922 2f3e 0a3c 706f 6c79 676f 56.09\"/>.<polygo\n-00011fa0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-00011fb0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00011fc0: 2220 706f 696e 7473 3d22 3132 3434 2e34 \" points=\"1244.4\n-00011fd0: 392c 2d31 3532 2e35 3920 3132 3334 2e35 9,-152.59 1234.5\n-00011fe0: 2c2d 3135 362e 3131 2031 3234 342e 3531 ,-156.11 1244.51\n-00011ff0: 2c2d 3135 392e 3539 2031 3234 342e 3439 ,-159.59 1244.49\n-00012000: 2c2d 3135 322e 3539 222f 3e0a 3c2f 673e ,-152.59\"/>.</g>\n-00012010: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00012020: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-00012030: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00012040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012050: 735f 7469 6d69 6e67 202d 2d3e 0a3c 6720 s_timing -->.<g \n-00012060: 6964 3d22 6564 6765 3130 3022 2063 6c61 id=\"edge100\" cla\n-00012070: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00012080: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00012090: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-000120a0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-000120b0: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n-000120c0: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming..\n-00012190: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n-00012280: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012290: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n-000122a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000122b0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-000122c0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility...\n-000123c0: 3c2f 673e 0a3c 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6f64 756c 655f ->module_\n-00012980: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00012990: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes.\n-00012a20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-00012b00: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00012b10: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n-00012b20: 6f67 7926 2334 353b 2667 743b 6d6f 6475 ogy->modu\n-00012b30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00012b40: 6174 683c 2f74 6974 6c65 3e0a 3c70 6174 ath....\n-00012d30: 0a3c 6720 6964 3d22 6564 6765 3130 3422 ..<\n-00012d50: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00012d60: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-00012d70: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-00012d80: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-00012d90: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity.....\n-00012f90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00012fa0: 7263 5f67 726f 6d61 6373 5f6d 696d 6963 rc_gromacs_mimic\n-00012fb0: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..<\n-00013010: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-00013020: 3d22 6d69 6464 6c65 2220 783d 2231 3532 =\"middle\" x=\"152\n-00013030: 3622 2079 3d22 2d36 3535 2e36 3422 2066 6\" y=\"-655.64\" f\n-00013040: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00013050: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-00013060: 2231 302e 3030 223e 6d69 6d69 633c 2f74 \"10.00\">mimic...\n-000130c0: 3c67 2069 643d 2265 6467 6531 3037 2220 .module_src_\n-000130f0: 6772 6f6d 6163 735f 6d69 6d69 6326 2334 gromacs_mimic\n-00013100: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00013110: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-00013120: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......m\n-00013330: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013340: 735f 6d69 6d69 6326 2334 353b 2667 743b s_mimic->\n-00013350: 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6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-00013b20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00013b30: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n-00013b40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00013b50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00013b60: 2272 6564 2220 643d 224d 3232 3238 2e38 \"red\" d=\"M2228.8\n-00013b70: 342c 2d35 3833 2e35 3543 3232 3738 2e39 4,-583.55C2278.9\n-00013b80: 362c 2d35 3434 2e37 3120 3234 3531 2e33 6,-544.71 2451.3\n-00013b90: 392c 2d34 3131 2e31 3120 3235 3134 2e30 9,-411.11 2514.0\n-00013ba0: 332c 2d33 3632 2e35 3822 2f3e 0a3c 706f 3,-362.58\"/>.<po\n-00013bb0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-00013bc0: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-00013bd0: 696e 7473 3d22 3235 3136 2e33 352c 2d33 ints=\"2516.35,-3\n-00013be0: 3635 2e32 3120 3235 3232 2e31 322c 2d33 65.21 2522.12,-3\n-00013bf0: 3536 2e33 3220 3235 3132 2e30 372c 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cs_nbnxm\n-00014b60: 0a3c 6720 6964 3d22 615f 6e6f 6465 3139 ..\n-00014bc0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .n\n-00014c70: 626e 786d 3c2f 7465 7874 3e0a 3c2f 613e bnxm.\n-00014c80: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_gr\n-00014d00: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-00014d10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00014d20: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm......module_src_gro\n-00014eb0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-00014ec0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00014ed0: 6f6d 6163 735f 7075 6c6c 696e 673c 2f74 omacs_pulling..<\n-00014f50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00014f60: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00014f70: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00014f80: 3334 3037 2e33 322c 2d35 3338 2e37 3820 3407.32,-538.78 \n-00014f90: 3334 3137 2e31 342c 2d35 3334 2e38 3120 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6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000157c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-000157d0: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22 wald -->.<g id=\"\n-000157e0: 6564 6765 3133 3222 2063 6c61 7373 3d22 edge132\" class=\"\n-000157f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00015800: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015810: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-00015820: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015830: 735f 6577 616c 643c 2f74 6974 6c65 3e0a s_ewald.\n-00015840: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00015910: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-00015980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00015990: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-000159a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000159b0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-000159c0: 6c65 3e0a 3c70 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2334 353b 2667 743b 6d6f 6475 lib->modu\n-00015d20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00015d30: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n-00015d40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00015d50: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00015d60: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00015d70: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00015d80: 224d 3232 3234 2e37 342c 2d36 3038 2e31 \"M2224.74,-608.1\n-00015d90: 3143 3232 3332 2e37 312c 2d36 3137 2e38 1C2232.71,-617.8\n-00015da0: 3520 3232 3434 2e32 322c 2d36 3332 2e30 5 2244.22,-632.0\n-00015db0: 3720 3232 3534 2c2d 3634 342e 3720 3232 7 2254,-644.7 22\n-00015dc0: 3633 2e31 312c 2d36 3536 2e34 3720 3232 63.11,-656.47 22\n-00015dd0: 3631 2e37 332c 2d36 3633 2e31 3320 3232 61.73,-663.13 22\n-00015de0: 3734 2c2d 3637 312e 3537 2032 3332 322e 74,-671.57 2322.\n-00015df0: 3639 2c2d 3730 352e 3036 2032 3335 302e 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2d39 3036 2e31 3722 2f3e 0a3c 2f67 3e0a -906.17\"/>.</g>.\n-00015ef0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00015f00: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-00015f10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00015f20: 5f67 726f 6d61 6373 5f73 696d 6420 2d2d _gromacs_simd --\n-00015f30: 3e0a 3c67 2069 643d 2265 6467 6531 3231 >.<g id=\"edge121\n-00015f40: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00015f50: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00015f60: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00015f70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015f80: 7263 5f67 726f 6d61 6373 5f73 696d 643c rc_gromacs_simd<\n-00015f90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00015fa0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00015fb0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00015fc0: 652d 6461 7368 6172 7261 793d 2235 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3435 3b26 6774 3b6d 6f64 756c ib->modul\n-000161a0: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-000161b0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d...\n-000162b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-00016320: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00016330: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00016340: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n-00016350: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom....<\n-00016470: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00016480: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00016490: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000164a0: 6772 6f6d 6163 735f 7062 6375 7469 6c20 gromacs_pbcutil \n-000164b0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n-000164e0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-000164f0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00016500: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-00016510: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util......module_src_grom\n-00016680: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat..c\n-00016740: 6f6d 7061 743c 2f74 6578 743e 0a3c 2f67 ompat....modul\n-000167c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000167d0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000167e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-000167f0: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat...\n-00016960: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-000169e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-000169f0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00016a00: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00016a10: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-00016a20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-00016b60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00016b70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00016b80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00016b90: 3231 3532 2e32 332c 2d31 3236 332e 3036 2152.23,-1263.06\n-00016ba0: 2032 3135 302e 3238 2c2d 3132 3733 2e34 2150.28,-1273.4\n-00016bb0: 3820 3231 3538 2e33 2c2d 3132 3636 2e35 8 2158.3,-1266.5\n-00016bc0: 3520 3231 3532 2e32 332c 2d31 3236 332e 5 2152.23,-1263.\n-00016bd0: 3036 222f 3e0a 3c2f 673e 0a3c 212d 2d20 06\"/>....module\n-00016c50: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-00016c60: 6477 6172 6526 2334 353b 2667 743b 6d6f dware->mo\n-00016c70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00016c80: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n-00016c90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00016ca0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00016cb0: 6266 6266 2220 643d 224d 3237 3836 2e34 bfbf\" d=\"M2786.4\n-00016cc0: 342c 2d32 3839 2e35 3743 3237 3336 2e34 4,-289.57C2736.4\n-00016cd0: 362c 2d33 3031 2e30 3320 3236 3337 2e35 6,-301.03 2637.5\n-00016ce0: 2c2d 3332 322e 3536 2032 3538 302e 3332 ,-322.56 2580.32\n-00016cf0: 2c2d 3333 342e 3432 222f 3e0a 3c70 6f6c ,-334.42\"/>.<pol\n-00016d00: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00016d10: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00016d20: 6662 6622 2070 6f69 6e74 733d 2232 3537 fbf\" points=\"257\n-00016d30: 392e 3538 2c2d 3333 302e 3939 2032 3537 9.58,-330.99 257\n-00016d40: 302e 352c 2d33 3336 2e34 3420 3235 3831 0.5,-336.44 2581\n-00016d50: 2c2d 3333 372e 3835 2032 3537 392e 3538 ,-337.85 2579.58\n-00016d60: 2c2d 3333 302e 3939 222f 3e0a 3c2f 673e ,-330.99\"/>.</g>\n-00016d70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00016d80: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n-00016d90: 6526 2334 353b 2667 743b 6d6f 6475 6c65 e->module\n-00016da0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-00016db0: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-00016dc0: 6564 6765 3133 3722 2063 6c61 7373 3d22 edge137\" class=\"\n-00016dd0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00016de0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00016df0: 5f68 6172 6477 6172 6526 2334 353b 2667 _hardware-&g\n-00016e00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00016e10: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n-00016e20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00016e30: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00016e40: 6564 2220 643d 224d 3238 3031 2e36 342c ed\" d=\"M2801.64,\n-00016e50: 2d32 3638 2e35 3343 3237 3736 2e39 312c -268.53C2776.91,\n-00016e60: 2d32 3530 2e39 3420 3237 3236 2e30 332c -250.94 2726.03,\n-00016e70: 2d32 3137 2e38 3220 3236 3737 2c2d 3230 -217.82 2677,-20\n-00016e80: 342e 3631 2032 3533 352e 3239 2c2d 3136 4.61 2535.29,-16\n-00016e90: 362e 3433 2031 3436 332e 3137 2c2d 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616a 6563 746f 7279 3c2f 7469 s_trajectory......module_src_te\n+00004310: 7374 7574 696c 7326 2334 353b 2667 743b stutils->\n+00004320: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004330: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00004340: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00004460: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+000044b0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+000044c0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+000044d0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .\n+00004580: 6770 755f 7574 696c 733c 2f74 6578 743e gpu_utils\n+00004590: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00004600: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n+00004610: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00004620: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+00004630: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+00004640: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+000047c0: 3c67 2069 643d 226e 6f64 6533 2220 636c .module_src_gr\n+000047f0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+00004800: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n+00004810: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .essentialdynami\n+000048d0: 6373 3c2f 7465 7874 3e0a 3c2f 673e 0a3c cs..<\n+000048e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000048f0: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n+00004900: 0a3c 6720 6964 3d22 6e6f 6465 3522 2063 ..module_src_g\n+00004930: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib..mdlib....module\n+00004a80: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+00004a90: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n+00004aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00004ab0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+00004ac0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00004ad0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00004ae0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00004af0: 3632 302e 3537 2c2d 3133 3939 2e38 3443 620.57,-1399.84C\n+00004b00: 3136 3036 2e32 392c 2d31 3339 302e 3934 1606.29,-1390.94\n+00004b10: 2031 3538 382e 3134 2c2d 3133 3738 2e35 1588.14,-1378.5\n+00004b20: 3620 3135 3734 2e34 362c 2d31 3336 382e 6 1574.46,-1368.\n+00004b30: 3435 222f 3e0a 3c70 6f6c 7967 6f6e 2066 45\"/>.<polygon f\n+00004b40: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00004b50: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00004b60: 6f69 6e74 733d 2231 3537 362e 3238 2c2d oints=\"1576.28,-\n+00004b70: 3133 3635 2e34 3520 3135 3636 2e32 2c2d 1365.45 1566.2,-\n+00004b80: 3133 3632 2e32 2031 3537 322e 3036 2c2d 1362.2 1572.06,-\n+00004b90: 3133 3731 2e30 3320 3135 3736 2e32 382c 1371.03 1576.28,\n+00004ba0: 2d31 3336 352e 3435 222f 3e0a 3c2f 673e -1365.45\"/>.</g>\n+00004bb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00004bc0: 5f67 726f 6d61 6373 5f65 7373 656e 7469 _gromacs_essenti\n+00004bd0: 616c 6479 6e61 6d69 6373 2623 3435 3b26 aldynamics-&\n+00004be0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00004bf0: 6f6d 6163 735f 746f 706f 6c6f 6779 202d omacs_topology -\n+00004c00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130 ->.<g id=\"edge10\n+00004c10: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00004c20: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00004c30: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n+00004c40: 6961 6c64 796e 616d 6963 7326 2334 353b ialdynamics-\n+00004c50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00004c60: 726f 6d61 6373 5f74 6f70 6f6c 6f67 793c romacs_topology<\n+00004c70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00004c80: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00004c90: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00004ca0: 3634 392e 3738 2c2d 3133 3939 2e30 3443 649.78,-1399.04C\n+00004cb0: 3136 3636 2e37 352c 2d31 3336 372e 3720 1666.75,-1367.7 \n+00004cc0: 3137 3131 2e31 362c 2d31 3238 352e 3635 1711.16,-1285.65\n+00004cd0: 2031 3733 322e 3338 2c2d 3132 3436 2e34 1732.38,-1246.4\n+00004ce0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+00004cf0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00004d00: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00004d10: 696e 7473 3d22 3137 3335 2e35 362c 2d31 ints=\"1735.56,-1\n+00004d20: 3234 372e 3931 2031 3733 372e 3235 2c2d 247.91 1737.25,-\n+00004d30: 3132 3337 2e34 3520 3137 3239 2e34 312c 1237.45 1729.41,\n+00004d40: 2d31 3234 342e 3537 2031 3733 352e 3536 -1244.57 1735.56\n+00004d50: 2c2d 3132 3437 2e39 3122 2f3e 0a3c 2f67 ,-1247.91\"/>.</g\n+00004d60: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00004d70: 635f 6772 6f6d 6163 735f 6c69 6e65 6172 c_gromacs_linear\n+00004d80: 616c 6765 6272 6120 2d2d 3e0a 3c67 2069 algebra -->.<g i\n+00004d90: 643d 226e 6f64 6538 2220 636c 6173 733d d=\"node8\" class=\n+00004da0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+00004db0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00004dc0: 735f 6c69 6e65 6172 616c 6765 6272 613c s_linearalgebra<\n+00004dd0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+00004de0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00004df0: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00004e00: 783d 2233 3632 3422 2063 793d 222d 3239 x=\"3624\" cy=\"-29\n+00004e10: 2e34 3422 2072 783d 2235 302e 3431 2220 .44\" rx=\"50.41\" \n+00004e20: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+00004e30: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+00004e40: 6d69 6464 6c65 2220 783d 2233 3632 3422 middle\" x=\"3624\"\n+00004e50: 2079 3d22 2d32 362e 3934 2220 666f 6e74 y=\"-26.94\" font\n+00004e60: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00004e70: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00004e80: 2e30 3022 3e6c 696e 6561 7261 6c67 6562 .00\">linearalgeb\n+00004e90: 7261 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ra</text>.</g>.<\n+00004ea0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00004eb0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+00004ec0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+00004ed0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00004ee0: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n+00004ef0: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467 a -->.<g id=\"edg\n+00004f00: 6535 2220 636c 6173 733d 2265 6467 6522 e5\" class=\"edge\"\n+00004f10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00004f20: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+00004f30: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+00004f40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00004f50: 5f67 726f 6d61 6373 5f6c 696e 6561 7261 _gromacs_lineara\n+00004f60: 6c67 6562 7261 3c2f 7469 746c 653e 0a3c lgebra.<\n+00004f70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00004f80: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00004f90: 2220 643d 224d 3137 3131 2e32 382c 2d31 \" d=\"M1711.28,-1\n+00004fa0: 3430 392e 3936 4331 3935 352e 3339 2c2d 409.96C1955.39,-\n+00004fb0: 3134 3034 2e30 3820 3237 3834 2e32 392c 1404.08 2784.29,\n+00004fc0: 2d31 3338 332e 3038 2033 3034 392c 2d31 -1383.08 3049,-1\n+00004fd0: 3336 332e 3134 2033 3238 392e 3934 2c2d 363.14 3289.94,-\n+00004fe0: 3133 3435 2033 3335 382e 3632 2c2d 3133 1345 3358.62,-13\n+00004ff0: 3733 2e31 3220 3335 3839 2c2d 3133 3030 73.12 3589,-1300\n+00005000: 2e32 3720 3336 3434 2e39 312c 2d31 3238 .27 3644.91,-128\n+00005010: 322e 3539 2033 3636 312e 3033 2c2d 3132 2.59 3661.03,-12\n+00005020: 3736 2e32 3120 3337 3035 2c2d 3132 3337 76.21 3705,-1237\n+00005030: 2e34 2033 3831 352e 3936 2c2d 3131 3339 .4 3815.96,-1139\n+00005040: 2e34 3620 3338 3735 2c2d 3838 382e 3320 .46 3875,-888.3 \n+00005050: 3338 3735 2c2d 3834 372e 3735 2033 3837 3875,-847.75 387\n+00005060: 352c 2d38 3437 2e37 3520 3338 3735 2c2d 5,-847.75 3875,-\n+00005070: 3834 372e 3735 2033 3837 352c 2d37 3832 847.75 3875,-782\n+00005080: 2e38 3820 3338 3735 2c2d 3634 322e 3932 .88 3875,-642.92\n+00005090: 2033 3931 352c 2d36 3130 2e34 3820 3339 3915,-610.48 39\n+000050a0: 3135 2c2d 3437 302e 3533 2033 3931 352c 15,-470.53 3915,\n+000050b0: 2d34 3730 2e35 3320 3339 3135 2c2d 3437 -470.53 3915,-47\n+000050c0: 302e 3533 2033 3931 352c 2d31 3534 2e31 0.53 3915,-154.1\n+000050d0: 3820 3339 3135 2c2d 3534 2e38 3720 3337 8 3915,-54.87 37\n+000050e0: 3639 2e37 2c2d 3334 2e31 3220 3336 3834 69.7,-34.12 3684\n+000050f0: 2e34 342c 2d33 302e 3439 222f 3e0a 3c70 .44,-30.49\"/>.....modu\n+000053e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000053f0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c67 omdec.<\n+00005410: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+00005420: 6f75 705f 5f6d 6f64 756c 655f 5f64 6f6d oup__module__dom\n+00005430: 6465 632e 7868 746d 6c22 2074 6172 6765 dec.xhtml\" targe\n+00005440: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+00005450: 6974 6c65 3d22 646f 6d64 6563 223e 0a3c itle=\"domdec\">.<\n+00005460: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+00005470: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n+00005480: 6c61 636b 2220 6378 3d22 3134 3933 2220 lack\" cx=\"1493\" \n+00005490: 6379 3d22 2d39 3732 2e34 3922 2072 783d cy=\"-972.49\" rx=\n+000054a0: 2233 362e 3132 2220 7279 3d22 3133 2e33 \"36.12\" ry=\"13.3\n+000054b0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.do\n+00005510: 6d64 6563 3c2f 7465 7874 3e0a 3c2f 613e mdec.\n+00005520: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....mo\n+000055a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000055b0: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+000055c0: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+000055d0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000055e0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec...\n+00005740: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+000057c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000057d0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+000057e0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000057f0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00005800: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+00005810: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+00005a10: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+00005a20: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+00005a30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005a40: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+00005a50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00005bb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+00005c00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00005c10: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n+00005c20: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n+00005c30: 6465 3332 223e 3c61 2078 6c69 6e6b 3a68 de32\"><a xlink:h\n+00005c40: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n+00005c50: 6c65 5f5f 6d64 7275 6e75 7469 6c69 7479 le__mdrunutility\n+00005c60: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n+00005c70: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n+00005c80: 653d 226d 6472 756e 7574 696c 6974 7922 e=\"mdrunutility\"\n+00005c90: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00005ca0: 2223 6535 6363 6666 2220 7374 726f 6b65 \"#e5ccff\" stroke\n+00005cb0: 3d22 626c 6163 6b22 2063 783d 2231 3438 =\"black\" cx=\"148\n+00005cc0: 3322 2063 793d 222d 3533 322e 3422 2072 3\" cy=\"-532.4\" r\n+00005cd0: 783d 2234 372e 3235 2220 7279 3d22 3133 x=\"47.25\" ry=\"13\n+00005ce0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+00005cf0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+00005d00: 2220 783d 2231 3438 3322 2079 3d22 2d35 \" x=\"1483\" y=\"-5\n+00005d10: 3239 2e39 2220 666f 6e74 2d66 616d 696c 29.9\" font-famil\n+00005d20: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+00005d30: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d t-size=\"10.00\">m\n+00005d40: 6472 756e 7574 696c 6974 793c 2f74 6578 drunutility</tex\n+00005d50: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+00005d60: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00005d70: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n+00005d80: 6961 6c64 796e 616d 6963 7326 2334 353b ialdynamics-\n+00005d90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00005da0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00005db0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->.<g id=\"e\n+00005dc0: 6467 6537 2220 636c 6173 733d 2265 6467 dge7\" class=\"edg\n+00005dd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00005de0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00005df0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00005e00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00005e10: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00005e20: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00005e30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+00006040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006050: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n+00006060: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n+00006070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00006080: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n+00006090: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000060a0: 2073 7472 6f6b 653d 2223 6266 6266 6266 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2223 .<\n+000062e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00006330: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00006340: 786c 6962 3c2f 7469 746c 653e 0a3c 656c xlib..gmxlib\n+00006400: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....\n+00006480: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006490: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+000064a0: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+000064b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000064c0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+000064d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000064e0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000064f0: 2220 643d 224d 3135 3734 2e38 352c 2d31 \" d=\"M1574.85,-1\n+00006500: 3430 392e 3831 4331 3339 302e 3437 2c2d 409.81C1390.47,-\n+00006510: 3134 3034 2e37 3120 3839 332e 3936 2c2d 1404.71 893.96,-\n+00006520: 3133 3838 2e36 3520 3837 302c 2d31 3336 1388.65 870,-136\n+00006530: 332e 3134 2037 3437 2e30 342c 2d31 3233 3.14 747.04,-123\n+00006540: 322e 3234 2038 3432 2e34 352c 2d31 3133 2.24 842.45,-113\n+00006550: 362e 3532 2038 3730 2c2d 3935 392e 3035 6.52 870,-959.05\n+00006560: 2038 3734 2e35 2c2d 3933 302e 3038 2038 874.5,-930.08 8\n+00006570: 3732 2e31 392c 2d39 3139 2e34 3820 3839 72.19,-919.48 89\n+00006580: 302c 2d38 3936 2e31 3820 3930 312e 3436 0,-896.18 901.46\n+00006590: 2c2d 3838 312e 3139 2039 3138 2e39 382c ,-881.19 918.98,\n+000065a0: 2d38 3639 2e35 2039 3334 2e32 312c 2d38 -869.5 934.21,-8\n+000065b0: 3631 2e33 3722 2f3e 0a3c 706f 6c79 676f 61.37\"/>.....\n+000066a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000066b0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+000066c0: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+000066d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000066e0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+000066f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00006880: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n+000068d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000068e0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n+000068f0: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+00006900: 6e6f 6465 3422 3e3c 6120 786c 696e 6b3a node4\"><a xlink:\n+00006910: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+00006920: 756c 655f 5f6c 6973 7465 645f 5f66 6f72 ule__listed__for\n+00006930: 6365 732e 7868 746d 6c22 2074 6172 6765 ces.xhtml\" targe\n+00006940: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+00006950: 6974 6c65 3d22 6c69 7374 6564 5f66 6f72 itle=\"listed_for\n+00006960: 6365 7322 3e0a 3c65 6c6c 6970 7365 2066 ces\">.<ellipse f\n+00006970: 696c 6c3d 2223 6535 6363 6666 2220 7374 ill=\"#e5ccff\" st\n+00006980: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+00006990: 2231 3136 3522 2063 793d 222d 3930 392e \"1165\" cy=\"-909.\n+000069a0: 3632 2220 7278 3d22 3530 2e38 3222 2072 62\" rx=\"50.82\" r\n+000069b0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+000069c0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+000069d0: 6964 646c 6522 2078 3d22 3131 3635 2220 iddle\" x=\"1165\" \n+000069e0: 793d 222d 3930 372e 3132 2220 666f 6e74 y=\"-907.12\" font\n+000069f0: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00006a00: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00006a10: 2e30 3022 3e6c 6973 7465 645f 666f 7263 .00\">listed_forc\n+00006a20: 6573 3c2f 7465 7874 3e0a 3c2f 613e 0a3c es</text>.</a>.<\n+00006a30: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>.</g>.<!-- mo\n+00006a40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00006a50: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00006a60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00006a70: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+00006a80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00006a90: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+00006aa0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00006ab0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00006ac0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+00006ad0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00006ae0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00006af0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00006b00: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00006b10: 6662 6622 2064 3d22 4d31 3137 352e 3038 fbf\" d=\"M1175.08\n+00006b20: 2c2d 3932 332e 3234 4331 3139 352e 3232 ,-923.24C1195.22\n+00006b30: 2c2d 3935 362e 3236 2031 3233 392e 3935 ,-956.26 1239.95\n+00006b40: 2c2d 3130 3437 2e31 3120 3132 3933 2c2d ,-1047.11 1293,-\n+00006b50: 3131 3131 2e36 3620 3133 3730 2e37 312c 1111.66 1370.71,\n+00006b60: 2d31 3230 362e 3232 2031 3438 382e 3039 -1206.22 1488.09\n+00006b70: 2c2d 3132 3934 2e38 3120 3135 3334 2e39 ,-1294.81 1534.9\n+00006b80: 362c 2d31 3333 312e 3234 222f 3e0a 3c70 6,-1331.24\"/>.<p\n+00006b90: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00006ba0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00006bb0: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00006bc0: 3533 322e 3834 2c2d 3133 3334 2e30 3220 532.84,-1334.02 \n+00006bd0: 3135 3432 2e38 372c 2d31 3333 372e 3432 1542.87,-1337.42\n+00006be0: 2031 3533 372e 3135 2c2d 3133 3238 2e35 1537.15,-1328.5\n+00006bf0: 3120 3135 3332 2e38 342c 2d31 3333 342e 1 1532.84,-1334.\n+00006c00: 3032 222f 3e0a 3c2f 673e 0a3c 212d 2d20 02\"/>.</g>.<!-- \n+00006c10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006c20: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00006c30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00006c40: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+00006c50: 6c6f 6779 202d 2d3e 0a3c 6720 6964 3d22 logy -->.<g id=\"\n+00006c60: 6564 6765 3138 2220 636c 6173 733d 2265 edge18\" class=\"e\n+00006c70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00006c80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006c90: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00006ca0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00006cb0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00006cc0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....\n+00006e10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+000070d0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+000070e0: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+000070f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00007100: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00007110: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00007120: 3d22 6e6f 6e65 2220 7374 726f 6b65 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643d 2265 6467 6532 3422 2063 .module_src_g\n+00007420: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00007430: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00007440: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007450: 7461 626c 6573 3c2f 7469 746c 653e 0a3c tables.<\n+00007460: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00007470: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00007480: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00007490: 6179 3d22 352c 3222 2064 3d22 4d31 3131 ay=\"5,2\" d=\"M111\n+000074a0: 342e 3232 2c2d 3930 382e 3443 3932 332e 4.22,-908.4C923.\n+000074b0: 3837 2c2d 3930 372e 3320 3235 392e 3232 87,-907.3 259.22\n+000074c0: 2c2d 3930 302e 3537 2031 3734 2c2d 3836 ,-900.57 174,-86\n+000074d0: 302e 3138 2031 3630 2e39 382c 2d38 3534 0.18 160.98,-854\n+000074e0: 2e30 3120 3133 362e 3832 2c2d 3832 342e .01 136.82,-824.\n+000074f0: 3936 2031 3231 2e30 392c 2d38 3034 2e38 96 121.09,-804.8\n+00007500: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....module_\n+000075f0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00007600: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00007610: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007620: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+00007630: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00007640: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00007650: 3238 3266 6363 2220 643d 224d 3131 3934 282fcc\" d=\"M1194\n+00007660: 2e36 352c 2d39 3230 2e36 3743 3132 3134 .65,-920.67C1214\n+00007670: 2e38 362c 2d39 3238 2e36 3620 3132 3431 .86,-928.66 1241\n+00007680: 2e32 352c 2d39 3431 2e34 3220 3132 3630 .25,-941.42 1260\n+00007690: 2c2d 3935 392e 3035 2031 3331 372e 3336 ,-959.05 1317.36\n+000076a0: 2c2d 3130 3133 2031 3238 322e 3334 2c2d ,-1013 1282.34,-\n+000076b0: 3130 3731 2e33 3820 3133 3530 2c2d 3131 1071.38 1350,-11\n+000076c0: 3131 2e36 3620 3134 3037 2e36 2c2d 3131 11.66 1407.6,-11\n+000076d0: 3435 2e39 3520 3234 3432 2e38 392c 2d31 45.95 2442.89,-1\n+000076e0: 3135 372e 3639 2032 3635 362e 362c 2d31 157.69 2656.6,-1\n+000076f0: 3135 392e 3735 222f 3e0a 3c70 6f6c 7967 159.75\"/>.<polyg\n+00007700: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00007710: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00007720: 6322 2070 6f69 6e74 733d 2232 3635 362e c\" points=\"2656.\n+00007730: 3638 2c2d 3131 3633 2e32 3520 3236 3636 68,-1163.25 2666\n+00007740: 2e37 312c 2d31 3135 392e 3835 2032 3635 .71,-1159.85 265\n+00007750: 362e 3735 2c2d 3131 3536 2e32 3520 3236 6.75,-1156.25 26\n+00007760: 3536 2e36 382c 2d31 3136 332e 3235 222f 56.68,-1163.25\"/\n+00007770: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00007780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00007790: 696d 696e 6720 2d2d 3e0a 3c67 2069 643d iming -->.<g id=\n+000077a0: 226e 6f64 6532 3522 2063 6c61 7373 3d22 \"node25\" class=\"\n+000077b0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+000077c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000077d0: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n+000077e0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .t\n+00007890: 696d 696e 673c 2f74 6578 743e 0a3c 2f67 iming....module_src_gro\n+00007920: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00007930: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00007940: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+00007950: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming.....<\n+00007b00: 6720 6964 3d22 6564 6765 3135 2220 636c g id=\"edge15\" cl\n+00007b10: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00007b30: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00007b40: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00007b50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00007b60: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility....\n+00007cf0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+00007d10: 0a3c 6720 6964 3d22 6e6f 6465 3333 2220 ..module_src_\n+00007d40: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd...simd\n+00007e60: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ....\n+00007ec0: 0a3c 6720 6964 3d22 6564 6765 3233 2220 ..module_src_\n+00007ef0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00007f00: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00007f10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007f20: 5f73 696d 643c 2f74 6974 6c65 3e0a 3c70 _simd.\n+00008050: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+000080c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+00008350: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00008360: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00008370: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00008380: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+00008390: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000083a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000083b0: 2362 6662 6662 6622 2064 3d22 4d31 3133 #bfbfbf\" d=\"M113\n+000083c0: 332e 3331 2c2d 3839 382e 3937 4331 3039 3.31,-898.97C109\n+000083d0: 362e 3936 2c2d 3838 372e 3931 2031 3033 6.96,-887.91 103\n+000083e0: 372e 3536 2c2d 3836 392e 3833 2039 3939 7.56,-869.83 999\n+000083f0: 2e39 312c 2d38 3538 2e33 3722 2f3e 0a3c .91,-858.37\"/>.<\n+00008400: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00008410: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00008420: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00008430: 3130 3030 2e34 392c 2d38 3534 2e38 3920 1000.49,-854.89 \n+00008440: 3938 392e 3931 2c2d 3835 352e 3333 2039 989.91,-855.33 9\n+00008450: 3938 2e34 362c 2d38 3631 2e35 3920 3130 98.46,-861.59 10\n+00008460: 3030 2e34 392c 2d38 3534 2e38 3922 2f3e 00.49,-854.89\"/>\n+00008470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00008480: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00008490: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+000084a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000084b0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+000084c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000084d0: 3230 2220 636c 6173 733d 2265 6467 6522 20\" class=\"edge\"\n+000084e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000084f0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00008500: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00008510: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00008520: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n+00008530: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00008540: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00008550: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n+00008560: 3931 2e38 352c 2d39 3231 2e30 3843 3132 91.85,-921.08C12\n+00008570: 3637 2e38 382c 2d39 3530 2e35 3320 3134 67.88,-950.53 14\n+00008580: 3833 2e39 2c2d 3130 3333 2e30 3420 3135 83.9,-1033.04 15\n+00008590: 3538 2c2d 3130 3438 2e37 3920 3137 3537 58,-1048.79 1757\n+000085a0: 2e39 362c 2d31 3039 312e 3320 3230 3032 .96,-1091.3 2002\n+000085b0: 2e37 392c 2d31 3039 372e 3120 3231 3036 .79,-1097.1 2106\n+000085c0: 2e31 372c 2d31 3039 372e 3439 222f 3e0a .17,-1097.49\"/>.\n+000085d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000085e0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+000085f0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00008600: 2232 3130 362e 3331 2c2d 3131 3030 2e39 \"2106.31,-1100.9\n+00008610: 3920 3231 3136 2e33 312c 2d31 3039 372e 9 2116.31,-1097.\n+00008620: 3531 2032 3130 362e 3332 2c2d 3130 3933 51 2106.32,-1093\n+00008630: 2e39 3920 3231 3036 2e33 312c 2d31 3130 .99 2106.31,-110\n+00008640: 302e 3939 222f 3e0a 3c2f 673e 0a3c 212d 0.99\"/>.</g>.<!-\n+00008650: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00008660: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00008670: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00008680: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00008690: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+000086a0: 2265 6467 6531 3622 2063 6c61 7373 3d22 \"edge16\" class=\"\n+000086b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000086c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000086d0: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+000086e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000086f0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00008700: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n+00008810: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n+000089a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000089b0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+000089c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000089d0: 7263 5f67 726f 6d61 6373 5f6d 6174 683c rc_gromacs_math<\n+000089e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000089f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00008a00: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+00008a10: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00008a20: 2220 643d 224d 3131 3135 2e32 352c 2d39 \" d=\"M1115.25,-9\n+00008a30: 3036 2e36 3643 3130 3634 2e35 362c 2d39 06.66C1064.56,-9\n+00008a40: 3032 2e38 3720 3938 342e 3935 2c2d 3839 02.87 984.95,-89\n+00008a50: 312e 3839 2039 3234 2c2d 3836 302e 3138 1.89 924,-860.18\n+00008a60: 2038 3532 2e31 322c 2d38 3232 2e37 3920 852.12,-822.79 \n+00008a70: 3832 332e 3931 2c2d 3830 382e 3931 2037 823.91,-808.91 7\n+00008a80: 3932 2c2d 3733 342e 3434 2037 3136 2e33 92,-734.44 716.3\n+00008a90: 2c2d 3535 372e 3739 2034 3033 2e35 362c ,-557.79 403.56,\n+00008aa0: 2d38 3535 2e34 3220 3131 3332 2c2d 3435 -855.42 1132,-45\n+00008ab0: 362e 3039 2031 3332 302e 3438 2c2d 3335 6.09 1320.48,-35\n+00008ac0: 322e 3736 2031 3338 362e 372c 2d33 3634 2.76 1386.7,-364\n+00008ad0: 2e30 3120 3135 3939 2c2d 3333 302e 3335 .01 1599,-330.35\n+00008ae0: 2031 3736 302e 3836 2c2d 3330 342e 3639 1760.86,-304.69\n+00008af0: 2032 3934 372e 3835 2c2d 3238 332e 3220 2947.85,-283.2 \n+00008b00: 3330 3635 2c2d 3136 382e 3631 2033 3037 3065,-168.61 307\n+00008b10: 382e 3639 2c2d 3135 352e 3232 2033 3038 8.69,-155.22 308\n+00008b20: 302e 3037 2c2d 3133 322e 3739 2033 3037 0.07,-132.79 307\n+00008b30: 382e 372c 2d31 3135 2e38 3922 2f3e 0a3c 8.7,-115.89\"/>.<\n+00008b40: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00008b50: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+00008b60: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+00008b70: 3330 3832 2e31 342c 2d31 3135 2e32 3520 3082.14,-115.25 \n+00008b80: 3330 3737 2e35 2c2d 3130 352e 3733 2033 3077.5,-105.73 3\n+00008b90: 3037 352e 3139 2c2d 3131 362e 3037 2033 075.19,-116.07 3\n+00008ba0: 3038 322e 3134 2c2d 3131 352e 3235 222f 082.14,-115.25\"/\n+00008bb0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00008bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00008bd0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00008be0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008bf0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00008c00: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+00008c10: 6534 3622 2063 6c61 7373 3d22 6564 6765 e46\" class=\"edge\n+00008c20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00008c30: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00008c40: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00008c50: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00008c60: 7365 6e74 6961 6c64 796e 616d 6963 733c sentialdynamics<\n+00008c70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00008c80: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00008c90: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00008ca0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00008cb0: 2220 643d 224d 3135 3733 2e34 392c 2d31 \" d=\"M1573.49,-1\n+00008cc0: 3336 302e 3032 4331 3538 372e 3935 2c2d 360.02C1587.95,-\n+00008cd0: 3133 3638 2e38 3120 3136 3037 2e37 352c 1368.81 1607.75,\n+00008ce0: 2d31 3338 322e 3231 2031 3632 322e 3633 -1382.21 1622.63\n+00008cf0: 2c2d 3133 3933 2e31 3622 2f3e 0a3c 706f ,-1393.16\"/>.<po\n+00008d00: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+00008d10: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+00008d20: 3266 6363 2220 706f 696e 7473 3d22 3136 2fcc\" points=\"16\n+00008d30: 3230 2e36 352c 2d31 3339 362e 3034 2031 20.65,-1396.04 1\n+00008d40: 3633 302e 3734 2c2d 3133 3939 2e32 3620 630.74,-1399.26 \n+00008d50: 3136 3234 2e38 352c 2d31 3339 302e 3435 1624.85,-1390.45\n+00008d60: 2031 3632 302e 3635 2c2d 3133 3936 2e30 1620.65,-1396.0\n+00008d70: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+00008d80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008d90: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00008da0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008db0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00008dc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00008dd0: 3331 2220 636c 6173 733d 2265 6467 6522 31\" class=\"edge\"\n+00008de0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00008df0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00008e00: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00008e10: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00008e20: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n+00008e30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00008e40: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00008e50: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00008e60: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00008e70: 4d31 3533 372e 332c 2d31 3333 392e 3138 M1537.3,-1339.18\n+00008e80: 4331 3438 392e 3737 2c2d 3133 3039 2e34 C1489.77,-1309.4\n+00008e90: 3220 3133 3539 2e31 342c 2d31 3231 342e 2 1359.14,-1214.\n+00008ea0: 3034 2031 3237 352c 2d31 3131 312e 3636 04 1275,-1111.66\n+00008eb0: 2031 3232 362e 3531 2c2d 3130 3532 2e36 1226.51,-1052.6\n+00008ec0: 3620 3131 3834 2e39 372c 2d39 3731 2e36 6 1184.97,-971.6\n+00008ed0: 3820 3131 3639 2e39 372c 2d39 3332 2e39 8 1169.97,-932.9\n+00008ee0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n+00008ef0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00008f00: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00008f10: 696e 7473 3d22 3131 3733 2e31 352c 2d39 ints=\"1173.15,-9\n+00008f20: 3331 2e34 3620 3131 3636 2e34 362c 2d39 31.46 1166.46,-9\n+00008f30: 3233 2e32 3420 3131 3636 2e35 362c 2d39 23.24 1166.56,-9\n+00008f40: 3333 2e38 3320 3131 3733 2e31 352c 2d39 33.83 1173.15,-9\n+00008f50: 3331 2e34 3622 2f3e 0a3c 2f67 3e0a 3c21 31.46\"/>.</g>.<!\n+00008f60: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00008f70: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+00008f80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00008f90: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n+00008fa0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+00008fb0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+00008fc0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00008fd0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00008fe0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008ff0: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+00009000: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy...<\n+00009120: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+00009190: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000091a0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+000091b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000091c0: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+000091d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000091e0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000091f0: 2220 643d 224d 3135 3535 2c2d 3133 3336 \" d=\"M1555,-1336\n+00009200: 2e30 3643 3135 3535 2c2d 3133 3133 2e36 .06C1555,-1313.6\n+00009210: 3620 3135 3535 2c2d 3132 3635 2e35 3720 6 1555,-1265.57 \n+00009220: 3135 3535 2c2d 3132 3234 2e39 3720 3135 1555,-1224.97 15\n+00009230: 3535 2c2d 3132 3234 2e39 3720 3135 3535 55,-1224.97 1555\n+00009240: 2c2d 3132 3234 2e39 3720 3135 3535 2c2d ,-1224.97 1555,-\n+00009250: 3131 3630 2e31 2031 3535 352c 2d31 3131 1160.1 1555,-111\n+00009260: 382e 3635 2031 3537 362e 3437 2c2d 3131 8.65 1576.47,-11\n+00009270: 3039 2e31 3520 3136 3130 2c2d 3130 3834 09.15 1610,-1084\n+00009280: 2e37 3920 3136 3531 2e36 322c 2d31 3035 .79 1651.62,-105\n+00009290: 342e 3536 2031 3638 372c 2d31 3038 382e 4.56 1687,-1088.\n+000092a0: 3235 2031 3732 302c 2d31 3034 382e 3739 25 1720,-1048.79\n+000092b0: 2031 3735 312e 3031 2c2d 3130 3131 2e37 1751.01,-1011.7\n+000092c0: 2031 3733 392e 332c 2d38 3830 2e34 3620 1739.3,-880.46 \n+000092d0: 3137 3530 2c2d 3833 332e 3331 2031 3735 1750,-833.31 175\n+000092e0: 362e 3439 2c2d 3830 342e 3732 2031 3735 6.49,-804.72 175\n+000092f0: 312e 3233 2c2d 3739 322e 3936 2031 3737 1.23,-792.96 177\n+00009300: 302c 2d37 3730 2e34 3420 3137 3835 2e32 0,-770.44 1785.2\n+00009310: 392c 2d37 3532 2e30 3920 3138 3039 2e33 9,-752.09 1809.3\n+00009320: 372c 2d37 3339 2e37 3120 3138 3238 2e39 7,-739.71 1828.9\n+00009330: 322c 2d37 3332 2e30 3622 2f3e 0a3c 706f 2,-732.06\"/>..<\n+000093b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+00009420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009430: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00009440: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00009450: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+00009460: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00009470: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00009480: 6266 6266 2220 643d 224d 3135 3832 2e38 bfbf\" d=\"M1582.8\n+00009490: 392c 2d31 3334 362e 3939 4331 3636 332e 9,-1346.99C1663.\n+000094a0: 3937 2c2d 3133 3431 2e37 3620 3138 3938 97,-1341.76 1898\n+000094b0: 2e35 342c 2d31 3332 342e 3837 2031 3937 .54,-1324.87 197\n+000094c0: 312c 2d31 3330 302e 3237 2032 3033 322e 1,-1300.27 2032.\n+000094d0: 3738 2c2d 3132 3739 2e33 2032 3039 372c 78,-1279.3 2097,\n+000094e0: 2d31 3239 302e 3231 2032 3039 372c 2d31 -1290.21 2097,-1\n+000094f0: 3232 342e 3937 2032 3039 372c 2d31 3232 224.97 2097,-122\n+00009500: 342e 3937 2032 3039 372c 2d31 3232 342e 4.97 2097,-1224.\n+00009510: 3937 2032 3039 372c 2d31 3136 302e 3120 97 2097,-1160.1 \n+00009520: 3230 3937 2c2d 3938 362e 3920 3231 3533 2097,-986.9 2153\n+00009530: 2e31 332c 2d39 3332 2e34 3920 3230 3932 .13,-932.49 2092\n+00009540: 2c2d 3737 302e 3434 2032 3037 342e 3631 ,-770.44 2074.61\n+00009550: 2c2d 3732 342e 3334 2031 3833 372c 2d34 ,-724.34 1837,-4\n+00009560: 3536 2e39 3320 3138 3337 2c2d 3430 372e 56.93 1837,-407.\n+00009570: 3636 2031 3833 372c 2d34 3037 2e36 3620 66 1837,-407.66 \n+00009580: 3138 3337 2c2d 3430 372e 3636 2031 3833 1837,-407.66 183\n+00009590: 372c 2d33 3432 2e37 3920 3138 3337 2c2d 7,-342.79 1837,-\n+000095a0: 3239 312e 3639 2031 3738 332e 3632 2c2d 291.69 1783.62,-\n+000095b0: 3235 332e 3731 2031 3734 382e 3036 2c2d 253.71 1748.06,-\n+000095c0: 3233 342e 3038 222f 3e0a 3c70 6f6c 7967 234.08\"/>.<polyg\n+000095d0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+000095e0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+000095f0: 6622 2070 6f69 6e74 733d 2231 3734 392e f\" points=\"1749.\n+00009600: 3438 2c2d 3233 302e 3837 2031 3733 392e 48,-230.87 1739.\n+00009610: 3031 2c2d 3232 392e 3236 2031 3734 362e 01,-229.26 1746.\n+00009620: 3139 2c2d 3233 372e 3034 2031 3734 392e 19,-237.04 1749.\n+00009630: 3438 2c2d 3233 302e 3837 222f 3e0a 3c2f 48,-230.87\"/>.</\n+00009640: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00009650: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+00009660: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n+00009670: 3132 2220 636c 6173 733d 226e 6f64 6522 12\" class=\"node\"\n+00009680: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00009690: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+000096a0: 6d3c 2f74 6974 6c65 3e0a 3c67 2069 643d m...nbnxm......module_\n+00009840: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00009850: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00009860: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00009870: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm...\n+00009aa0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00009af0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00009b00: 696e 673c 2f74 6974 6c65 3e0a 3c65 6c6c ing..pulli\n+00009bc0: 6e67 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ng..<\n+00009bd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009be0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00009bf0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009c00: 6772 6f6d 6163 735f 7075 6c6c 696e 6720 gromacs_pulling \n+00009c10: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.\n+00009c30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00009c40: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00009c50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00009c60: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00009c70: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing....\n+00009e40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00009ea0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00009eb0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00009ec0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00009ed0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00009ee0: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec...<\n+0000a050: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+0000a0d0: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+0000a0e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000a0f0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0000a100: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n+0000a2a0: 6720 6964 3d22 6564 6765 3530 2220 636c g id=\"edge50\" cl\n+0000a2b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000a2d0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+0000a2e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000a2f0: 726f 6d61 6373 5f74 6162 6c65 733c 2f74 romacs_tables......\n+0000a4e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000a4f0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+0000a500: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000a510: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald</title\n+0000a520: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000a530: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+0000a540: 2064 3d22 4d31 3532 372e 3033 2c2d 3133 d=\"M1527.03,-13\n+0000a550: 3437 2e34 3443 3134 3439 2e34 342c 2d31 47.44C1449.44,-1\n+0000a560: 3334 332e 3335 2031 3233 342e 3237 2c2d 343.35 1234.27,-\n+0000a570: 3133 3239 2e30 3320 3131 3731 2c2d 3133 1329.03 1171,-13\n+0000a580: 3030 2e32 3720 3131 3134 2e37 392c 2d31 00.27 1114.79,-1\n+0000a590: 3237 342e 3732 2031 3030 332e 3639 2c2d 274.72 1003.69,-\n+0000a5a0: 3131 3631 2e33 3120 3936 372c 2d31 3131 1161.31 967,-111\n+0000a5b0: 312e 3636 2039 3438 2e33 372c 2d31 3038 1.66 948.37,-108\n+0000a5c0: 362e 3435 2039 3433 2e39 312c 2d31 3037 6.45 943.91,-107\n+0000a5d0: 382e 3835 2039 3335 2c2d 3130 3438 2e37 8.85 935,-1048.7\n+0000a5e0: 3920 3930 372e 3636 2c2d 3935 362e 3538 9 907.66,-956.58\n+0000a5f0: 2039 3031 2e36 332c 2d39 3238 2e35 3620 901.63,-928.56 \n+0000a600: 3931 352c 2d38 3333 2e33 3120 3931 392e 915,-833.31 919.\n+0000a610: 3034 2c2d 3830 342e 3533 2039 3138 2e30 04,-804.53 918.0\n+0000a620: 312c 2d37 3935 2e33 3420 3933 332c 2d37 1,-795.34 933,-7\n+0000a630: 3730 2e34 3420 3939 302e 3838 2c2d 3637 70.44 990.88,-67\n+0000a640: 342e 3234 2031 3232 322e 3739 2c2d 3530 4.24 1222.79,-50\n+0000a650: 342e 3333 2031 3239 372c 2d34 3230 2e30 4.33 1297,-420.0\n+0000a660: 3920 3133 3036 2e38 342c 2d34 3038 2e39 9 1306.84,-408.9\n+0000a670: 3220 3133 3034 2e31 382c 2d34 3030 2e37 2 1304.18,-400.7\n+0000a680: 3820 3133 3137 2c2d 3339 332e 3232 2031 8 1317,-393.22 1\n+0000a690: 3431 392e 3337 2c2d 3333 322e 3833 2031 419.37,-332.83 1\n+0000a6a0: 3436 352e 352c 2d33 3830 2e37 3820 3135 465.5,-380.78 15\n+0000a6b0: 3832 2c2d 3335 372e 3232 2031 3538 382e 82,-357.22 1588.\n+0000a6c0: 3137 2c2d 3335 352e 3937 2031 3539 342e 17,-355.97 1594.\n+0000a6d0: 3734 2c2d 3335 342e 3337 2031 3630 312e 74,-354.37 1601.\n+0000a6e0: 3136 2c2d 3335 322e 3733 222f 3e0a 3c70 16,-352.73\"/>.<p\n+0000a6f0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n+0000a700: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n+0000a710: 6f69 6e74 733d 2231 3630 322e 3235 2c2d oints=\"1602.25,-\n+0000a720: 3335 362e 3036 2031 3631 312e 3035 2c2d 356.06 1611.05,-\n+0000a730: 3335 302e 3137 2031 3630 302e 3439 2c2d 350.17 1600.49,-\n+0000a740: 3334 392e 3238 2031 3630 322e 3235 2c2d 349.28 1602.25,-\n+0000a750: 3335 362e 3036 222f 3e0a 3c2f 673e 0a3c 356.06\"/>.</g>.<\n+0000a760: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000a770: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+0000a780: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a790: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n+0000a7a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+0000a7b0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+0000a7c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000a7d0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000a7e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000a7f0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0000a800: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....\n+0000a980: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+0000a9e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000a9f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000aa00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000aa10: 7372 635f 6772 6f6d 6163 735f 7469 6d69 src_gromacs_timi\n+0000aa20: 6e67 3c2f 7469 746c 653e 0a3c 7061 7468 ng...<\n+0000ac40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+0000acc0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+0000acd0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000ace0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+0000acf0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty.....\n+0000aef0: 3c67 2069 643d 2265 6467 6533 3622 2063 .module_src_g\n+0000af20: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+0000af30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000af40: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd...\n+0000b1a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+0000b1c0: 0a3c 6720 6964 3d22 6e6f 6465 3337 2220 ..module_src_\n+0000b1f0: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd..<\n+0000b260: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+0000b270: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" 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6163 735f 6d69 6d69 6326 2334 gromacs_mimic\n+0000da80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000da90: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+0000daa0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....<\n+0000dc70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000dc80: 726f 6d61 6373 5f6d 696d 6963 2623 3435 romacs_mimic-\n+0000dc90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000dca0: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n+0000dcb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535 -->.\n+0000dcd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000dce0: 7263 5f67 726f 6d61 6373 5f6d 696d 6963 rc_gromacs_mimic\n+0000dcf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000dd00: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0000dd10: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity..\n+0000de50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ....module_\n+0000df40: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n+0000df50: 6172 616c 6765 6272 6126 2334 353b 2667 aralgebra-&g\n+0000df60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000df70: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+0000df80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000df90: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+0000dfa0: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+0000dfb0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000dfc0: 4d33 3637 322e 342c 2d33 332e 3038 4333 M3672.4,-33.08C3\n+0000dfd0: 3734 352e 3333 2c2d 3339 2e39 3720 3338 745.33,-39.97 38\n+0000dfe0: 3735 2c2d 3634 2e37 3820 3338 3735 2c2d 75,-64.78 3875,-\n+0000dff0: 3135 342e 3138 2033 3837 352c 2d34 3037 154.18 3875,-407\n+0000e000: 2e36 3620 3338 3735 2c2d 3430 372e 3636 .66 3875,-407.66\n+0000e010: 2033 3837 352c 2d34 3037 2e36 3620 3338 3875,-407.66 38\n+0000e020: 3735 2c2d 3530 302e 3635 2033 3835 312e 75,-500.65 3851.\n+0000e030: 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222f 3e0a .38,-1155.96\"/>.\n+0000e120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000e130: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0000e140: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+0000e150: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0000e160: 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 opology -->.<g i\n+0000e170: 643d 2265 6467 6536 3122 2063 6c61 7373 d=\"edge61\" class\n+0000e180: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0000e190: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e1a0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+0000e1b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000e1c0: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology</t\n+0000e1d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000e1e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000e1f0: 2362 6662 6662 6622 2064 3d22 4d31 3835 #bfbfbf\" 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6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000e2f0: 6d61 6373 5f6c 696e 6561 7261 6c67 6562 macs_linearalgeb\n+0000e300: 7261 202d 2d3e 0a3c 6720 6964 3d22 6564 ra -->.<g id=\"ed\n+0000e310: 6765 3635 2220 636c 6173 733d 2265 6467 ge65\" class=\"edg\n+0000e320: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000e330: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0000e340: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n+0000e350: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e360: 6c69 6e65 6172 616c 6765 6272 613c 2f74 linearalgebra</t\n+0000e370: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000e380: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000e390: 2362 6662 6662 6622 2064 3d22 4d31 3838 #bfbfbf\" d=\"M188\n+0000e3a0: 372e 3937 2c2d 3731 392e 3934 4332 3130 7.97,-719.94C210\n+0000e3b0: 332e 3239 2c2d 3731 382e 3732 2033 3533 3.29,-718.72 353\n+0000e3c0: 352c 2d36 3937 2e33 3520 3335 3335 2c2d 5,-697.35 3535,-\n+0000e3d0: 3334 342e 3739 2033 3533 352c 2d33 3434 344.79 3535,-344\n+0000e3e0: 2e37 3920 3335 3335 2c2d 3334 342e 3739 .79 3535,-344.79\n+0000e3f0: 2033 3533 352c 2d31 3534 2e31 3820 3335 3535,-154.18 35\n+0000e400: 3335 2c2d 3131 3020 3335 3732 2e38 342c 35,-110 3572.84,\n+0000e410: 2d37 302e 3832 2033 3539 392e 3138 2c2d -70.82 3599.18,-\n+0000e420: 3438 2e39 3122 2f3e 0a3c 706f 6c79 676f 48.91\"/>.<polygo\n+0000e430: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0000e440: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0000e450: 2220 706f 696e 7473 3d22 3336 3031 2e36 \" points=\"3601.6\n+0000e460: 362c 2d35 312e 3420 3336 3037 2e32 362c 6,-51.4 3607.26,\n+0000e470: 2d34 322e 3431 2033 3539 372e 3237 2c2d -42.41 3597.27,-\n+0000e480: 3435 2e39 3520 3336 3031 2e36 362c 2d35 45.95 3601.66,-5\n+0000e490: 312e 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 1.4\"/>.</g>.<!--\n+0000e4a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000e4b0: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c acs_mdspan -->.<\n+0000e4c0: 6720 6964 3d22 6e6f 6465 3137 2220 636c g id=\"node17\" cl\n+0000e4d0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n+0000e4e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000e4f0: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469 omacs_mdspan</ti\n+0000e500: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+0000e510: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0000e520: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0000e530: 3537 2220 6379 3d22 2d32 392e 3434 2220 57\" cy=\"-29.44\" \n+0000e540: 7278 3d22 3336 2e31 3222 2072 793d 2231 rx=\"36.12\" ry=\"1\n+0000e550: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+0000e560: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+0000e570: 6522 2078 3d22 3537 2220 793d 222d 3236 e\" x=\"57\" y=\"-26\n+0000e580: 2e39 3422 2066 6f6e 742d 6661 6d69 6c79 .94\" font-family\n+0000e590: 3d22 4672 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...modul\n+0000e820: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0000e830: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n+0000e840: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e850: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+0000e860: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+0000ea10: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0000ea20: 6c61 7273 696d 756c 6174 6f72 3c2f 7469 larsimulator</ti\n+0000ea30: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n+0000ea40: 6465 3330 223e 3c61 2078 6c69 6e6b 3a68 de30\"><a xlink:h\n+0000ea50: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n+0000ea60: 6c65 5f5f 6d6f 6475 6c61 7273 696d 756c le__modularsimul\n+0000ea70: 6174 6f72 2e78 6874 6d6c 2220 7461 7267 ator.xhtml\" targ\n+0000ea80: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n+0000ea90: 7469 746c 653d 226d 6f64 756c 6172 7369 title=\"modularsi\n+0000eaa0: 6d75 6c61 746f 7222 3e0a 3c65 6c6c 6970 mulator\">.<ellip\n+0000eab0: 7365 2066 696c 6c3d 2223 6535 6363 6666 se fill=\"#e5ccff\n+0000eac0: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n+0000ead0: 2063 783d 2232 3135 3122 2063 793d 222d cx=\"2151\" cy=\"-\n+0000eae0: 3635 382e 3134 2220 7278 3d22 3635 2e31 658.14\" rx=\"65.1\n+0000eaf0: 3122 2072 793d 2231 332e 3337 222f 3e0a 1\" ry=\"13.37\"/>.\n+0000eb00: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+0000eb10: 723d 226d 6964 646c 6522 2078 3d22 3231 r=\"middle\" x=\"21\n+0000eb20: 3531 2220 793d 222d 3635 352e 3634 2220 51\" y=\"-655.64\" \n+0000eb30: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+0000eb40: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+0000eb50: 3d22 3130 2e30 3022 3e6d 6f64 756c 6172 =\"10.00\">modular\n+0000eb60: 7369 6d75 6c61 746f 723c 2f74 6578 743e simulator</text>\n+0000eb70: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a .</a>.</g>.</g>.\n+0000eb80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000eb90: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+0000eba0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000ebb0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+0000ebc0: 7273 696d 756c 6174 6f72 202d 2d3e 0a3c rsimulator -->.<\n+0000ebd0: 6720 6964 3d22 6564 6765 3639 2220 636c g id=\"edge69\" cl\n+0000ebe0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000ebf0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000ec00: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+0000ec10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ec20: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+0000ec30: 696d 756c 6174 6f72 3c2f 7469 746c 653e imulator\n+0000ec40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+0000ed60: 3c67 2069 643d 2265 6467 6536 3022 2063 .module_src_g\n+0000ed90: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+0000eda0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000edb0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0000edc0: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory..<\n+0000ee90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000eea0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000eeb0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000eec0: 3239 3639 2e31 392c 2d31 3636 2e36 3520 2969.19,-166.65 \n+0000eed0: 3239 3738 2e34 322c 2d31 3631 2e34 3620 2978.42,-161.46 \n+0000eee0: 3239 3637 2e39 372c 2d31 3539 2e37 3620 2967.97,-159.76 \n+0000eef0: 3239 3639 2e31 392c 2d31 3636 2e36 3522 2969.19,-166.65\"\n+0000ef00: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_gro\n+0000ef80: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+0000ef90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000efa0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil....\n+0000f150: 0a3c 6720 6964 3d22 6564 6765 3637 2220 ..module_src_\n+0000f180: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+0000f190: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f1a0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n+0000f1b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+0000f330: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0000f3a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f3b0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n+0000f3c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000f3d0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+0000f3e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000f3f0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0000f400: 6662 6622 2064 3d22 4d31 3833 352e 3435 fbf\" d=\"M1835.45\n+0000f410: 2c2d 3732 352e 3533 4331 3730 392e 3833 ,-725.53C1709.83\n+0000f420: 2c2d 3734 322e 3838 2031 3135 372e 3535 ,-742.88 1157.55\n+0000f430: 2c2d 3831 392e 3135 2031 3030 342e 3437 ,-819.15 1004.47\n+0000f440: 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3e6d 6f64 dge\">.<title>mod\n+0000f530: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f540: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n+0000f550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f560: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+0000f570: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000f580: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+0000f590: 2064 3d22 4d31 3833 392e 382c 2d37 3239 d=\"M1839.8,-729\n+0000f5a0: 2e35 3243 3138 3132 2e34 362c 2d37 3337 .52C1812.46,-737\n+0000f5b0: 2e39 3220 3137 3634 2e34 362c 2d37 3532 .92 1764.46,-752\n+0000f5c0: 2e37 3120 3137 3235 2c2d 3737 302e 3434 .71 1725,-770.44\n+0000f5d0: 2031 3635 322e 3034 2c2d 3830 332e 3232 1652.04,-803.22\n+0000f5e0: 2031 3634 312e 3734 2c2d 3832 362e 3931 1641.74,-826.91\n+0000f5f0: 2031 3536 392c 2d38 3630 2e31 3820 3134 1569,-860.18 14\n+0000f600: 3134 2e38 382c 2d39 3330 2e36 3820 3133 14.88,-930.68 13\n+0000f610: 3639 2e32 2c2d 3933 302e 3632 2031 3230 69.2,-930.62 120\n+0000f620: 392c 2d39 3835 2e39 3220 3131 3731 2e32 9,-985.92 1171.2\n+0000f630: 382c 2d39 3938 2e39 3420 3131 3237 2e38 8,-998.94 1127.8\n+0000f640: 362c 2d31 3031 332e 3732 2031 3039 372e 6,-1013.72 1097.\n+0000f650: 3134 2c2d 3130 3233 2e34 3922 2f3e 0a3c 14,-1023.49\"/>.<\n+0000f660: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0000f670: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0000f680: 706f 696e 7473 3d22 3130 3935 2e37 322c points=\"1095.72,\n+0000f690: 2d31 3032 302e 3237 2031 3038 372e 3233 -1020.27 1087.23\n+0000f6a0: 2c2d 3130 3236 2e36 3120 3130 3937 2e38 ,-1026.61 1097.8\n+0000f6b0: 322c 2d31 3032 362e 3935 2031 3039 352e 2,-1026.95 1095.\n+0000f6c0: 3732 2c2d 3130 3230 2e32 3722 2f3e 0a3c 72,-1020.27\"/>.<\n+0000f6d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000f6e0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+0000f6f0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+0000f700: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+0000f710: 7468 202d 2d3e 0a3c 6720 6964 3d22 6564 th -->.<g id=\"ed\n+0000f720: 6765 3633 2220 636c 6173 733d 2265 6467 ge63\" class=\"edg\n+0000f730: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000f740: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0000f750: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n+0000f760: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f770: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math......module_src_grom\n+0000fb60: 6163 735f 6861 7264 7761 7265 2623 3435 acs_hardware-\n+0000fb70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000fb80: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+0000fb90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n+0000fe10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000fe20: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+0000fe30: 7265 2623 3435 3b26 6774 3b6d 6f64 756c re->modul\n+0000fe40: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n+0000fe50: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md......modu\n+0000ffc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+0000ffd0: 6172 6477 6172 6526 2334 353b 2667 743b ardware->\n+0000ffe0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000fff0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n+00010000: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00010010: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00010020: 6266 6266 6266 2220 643d 224d 3137 3439 bfbfbf\" d=\"M1749\n+00010030: 2e31 372c 2d32 3235 2e39 3443 3137 3737 .17,-225.94C1777\n+00010040: 2e36 2c2d 3233 332e 3720 3138 3138 2e39 .6,-233.7 1818.9\n+00010050: 362c 2d32 3437 2e38 3320 3138 3531 2c2d 6,-247.83 1851,-\n+00010060: 3236 372e 3438 2031 3836 362e 3236 2c2d 267.48 1866.26,-\n+00010070: 3237 362e 3834 2031 3836 342e 3837 2c2d 276.84 1864.87,-\n+00010080: 3238 362e 3620 3138 3831 2c2d 3239 342e 286.6 1881,-294.\n+00010090: 3335 2031 3931 312e 3131 2c2d 3330 382e 35 1911.11,-308.\n+000100a0: 3831 2032 3434 382e 3139 2c2d 3337 322e 81 2448.19,-372.\n+000100b0: 3033 2032 3437 342c 2d33 3933 2e32 3220 03 2474,-393.22 \n+000100c0: 3235 3937 2e39 362c 2d34 3934 2e39 3920 2597.96,-494.99 \n+000100d0: 3235 3837 2e39 332c 2d36 3231 2e34 3120 2587.93,-621.41 \n+000100e0: 3235 3639 2c2d 3637 312e 3537 2032 3535 2569,-671.57 255\n+000100f0: 392e 3134 2c2d 3639 372e 3639 2032 3235 9.14,-697.69 225\n+00010100: 372e 3938 2c2d 3130 3330 2e33 3720 3232 7.98,-1030.37 22\n+00010110: 3337 2c2d 3130 3438 2e37 3920 3232 3232 37,-1048.79 2222\n+00010120: 2e35 322c 2d31 3036 312e 3531 2032 3230 .52,-1061.51 220\n+00010130: 342e 3534 2c2d 3130 3733 2e36 2032 3138 4.54,-1073.6 218\n+00010140: 392e 3034 2c2d 3130 3832 2e35 3322 2f3e 9.04,-1082.53\"/>\n+00010150: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00010160: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00010170: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00010180: 3d22 3231 3837 2e33 312c 2d31 3037 392e =\"2187.31,-1079.\n+00010190: 3439 2032 3138 302e 3235 2c2d 3130 3837 49 2180.25,-1087\n+000101a0: 2e34 2032 3139 302e 372c 2d31 3038 352e .4 2190.7,-1085.\n+000101b0: 3632 2032 3138 372e 3331 2c2d 3130 3739 62 2187.31,-1079\n+000101c0: 2e34 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .49\"/>.</g>.<!--\n+000101d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000101e0: 6163 735f 7377 6170 202d 2d3e 0a3c 6720 acs_swap -->.<g \n+000101f0: 6964 3d22 6e6f 6465 3131 2220 636c 6173 id=\"node11\" clas\n+00010200: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00010210: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00010220: 6163 735f 7377 6170 3c2f 7469 746c 653e acs_swap\n+00010230: 0a3c 6720 6964 3d22 615f 6e6f 6465 3131 ...swa\n+00010340: 703c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f p......mo\n+000103c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000103d0: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n+000103e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000103f0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00010400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00010410: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00010420: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00010430: 6179 3d22 352c 3222 2064 3d22 4d31 3134 ay=\"5,2\" d=\"M114\n+00010440: 312e 3131 2c2d 3431 382e 3534 4331 3039 1.11,-418.54C109\n+00010450: 312e 3739 2c2d 3436 302e 3135 2039 3130 1.79,-460.15 910\n+00010460: 2e31 2c2d 3631 322e 3836 2037 3537 2c2d .1,-612.86 757,-\n+00010470: 3733 342e 3434 2037 3336 2e33 392c 2d37 734.44 736.39,-7\n+00010480: 3530 2e38 2037 3236 2e35 2c2d 3734 392e 50.8 726.5,-749.\n+00010490: 3935 2037 3130 2c2d 3737 302e 3434 2035 95 710,-770.44 5\n+000104a0: 3933 2e39 362c 2d39 3134 2e35 3420 3437 93.96,-914.54 47\n+000104b0: 372c 2d31 3034 352e 3932 2036 3130 2c2d 7,-1045.92 610,-\n+000104c0: 3131 3734 2e35 3320 3636 332e 3033 2c2d 1174.53 663.03,-\n+000104d0: 3132 3235 2e38 3120 3836 382e 3335 2c2d 1225.81 868.35,-\n+000104e0: 3131 3932 2e39 3720 3934 302c 2d31 3231 1192.97 940,-121\n+000104f0: 302e 3533 2031 3034 362e 3537 2c2d 3132 0.53 1046.57,-12\n+00010500: 3336 2e36 3520 3130 3633 2e36 352c 2d31 36.65 1063.65,-1\n+00010510: 3237 332e 3238 2031 3137 302c 2d31 3330 273.28 1170,-130\n+00010520: 302e 3237 2031 3239 342e 3533 2c2d 3133 0.27 1294.53,-13\n+00010530: 3331 2e38 3820 3134 3437 2e31 382c 2d31 31.88 1447.18,-1\n+00010540: 3334 332e 3237 2031 3531 362e 3935 2c2d 343.27 1516.95,-\n+00010550: 3133 3437 2e30 3322 2f3e 0a3c 706f 6c79 1347.03\"/>.....module_src_grom\n+00010650: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n+00010660: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00010670: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology....<\n+00010860: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010870: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+00010880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00010890: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+000108a0: 3e0a 3c67 2069 643d 2265 6467 6537 3522 >..<\n+000108c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000108d0: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n+000108e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000108f0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+00010900: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..<\n+000109a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000109b0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000109c0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000109d0: 3138 3237 2e35 392c 2d37 3134 2e32 3720 1827.59,-714.27 \n+000109e0: 3138 3338 2e31 372c 2d37 3133 2e36 3620 1838.17,-713.66 \n+000109f0: 3138 3239 2e35 322c 2d37 3037 2e35 3420 1829.52,-707.54 \n+00010a00: 3138 3237 2e35 392c 2d37 3134 2e32 3722 1827.59,-714.27\"\n+00010a10: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....m\n+00010a80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010a90: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n+00010aa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010ab0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+00010ac0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00010c10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00010c70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00010c80: 7263 5f67 726f 6d61 6373 5f73 7761 7026 rc_gromacs_swap&\n+00010c90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00010ca0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+00010cb0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty..\n+00010e20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+00010ee0: 3c67 2069 643d 2265 6467 6538 3122 2063 .module_src_g\n+00010f10: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+00010f20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00010f30: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing......module_\n+00011150: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+00011160: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00011170: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00011180: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+00011190: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+000112b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+00011320: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011330: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+00011340: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011350: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+00011360: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00011490: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000114a0: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+000114b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000114c0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n+000114d0: 3e0a 3c67 2069 643d 2265 6467 6537 3622 >..<\n+000114f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00011500: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n+00011510: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00011520: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+00011530: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n+000116e0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n+000116f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00011700: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes....\n+000118d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+00011940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011950: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00011960: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011970: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00011980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00011ab0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n+00011b90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011ba0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00011bb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011bc0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00011bd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00011d90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+00011e70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00011e80: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n+00011e90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00011ea0: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n+00011eb0: 6f67 793c 2f74 6974 6c65 3e0a 3c70 6174 ogy.....<\n+00012100: 6720 6964 3d22 6564 6765 3931 2220 636c g id=\"edge91\" cl\n+00012110: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00012130: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n+00012140: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00012150: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+00012160: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......<\n+000122a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000122b0: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+000122c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000122d0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+000122e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+000124c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+000125a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000125b0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+000125c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000125d0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+000125e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000125f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00012600: 3832 6663 6322 2064 3d22 4d39 3539 2e36 82fcc\" d=\"M959.6\n+00012610: 342c 2d32 3835 2e35 3543 3938 392e 3439 4,-285.55C989.49\n+00012620: 2c2d 3239 302e 3634 2031 3033 342e 3331 ,-290.64 1034.31\n+00012630: 2c2d 3330 322e 3631 2031 3036 322c 2d33 ,-302.61 1062,-3\n+00012640: 3330 2e33 3520 3131 3530 2e34 382c 2d34 30.35 1150.48,-4\n+00012650: 3138 2e39 3720 3132 3034 2e39 2c2d 3734 18.97 1204.9,-74\n+00012660: 342e 3937 2031 3235 342c 2d38 3630 2e31 4.97 1254,-860.1\n+00012670: 3820 3132 3636 2e32 312c 2d38 3838 2e38 8 1266.21,-888.8\n+00012680: 3420 3132 3638 2e34 352c 2d38 3936 2e36 4 1268.45,-896.6\n+00012690: 3620 3132 3835 2c2d 3932 332e 3035 2031 6 1285,-923.05 1\n+000126a0: 3335 382e 3735 2c2d 3130 3430 2e36 3720 358.75,-1040.67 \n+000126b0: 3133 3939 2e38 352c 2d31 3037 352e 3931 1399.85,-1075.91\n+000126c0: 2031 3533 342c 2d31 3131 312e 3636 2031 1534,-1111.66 1\n+000126d0: 3634 342e 3337 2c2d 3131 3431 2e30 3720 644.37,-1141.07 \n+000126e0: 3234 3638 2e30 352c 2d31 3135 362e 3335 2468.05,-1156.35\n+000126f0: 2032 3635 362e 3632 2c2d 3131 3539 2e34 2656.62,-1159.4\n+00012700: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669 9\"/>.<polygon fi\n+00012710: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00012720: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00012730: 696e 7473 3d22 3236 3536 2e35 372c 2d31 ints=\"2656.57,-1\n+00012740: 3136 322e 3938 2032 3636 362e 3633 2c2d 162.98 2666.63,-\n+00012750: 3131 3539 2e36 3520 3236 3536 2e36 382c 1159.65 2656.68,\n+00012760: 2d31 3135 352e 3939 2032 3635 362e 3537 -1155.99 2656.57\n+00012770: 2c2d 3131 3632 2e39 3822 2f3e 0a3c 2f67 ,-1162.98\"/>.</g\n+00012780: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00012790: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n+000127a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000127b0: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+000127c0: 6720 2d2d 3e0a 3c67 2069 643d 2265 6467 g -->.<g id=\"edg\n+000127d0: 6538 3822 2063 6c61 7373 3d22 6564 6765 e88\" class=\"edge\n+000127e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+000127f0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00012800: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n+00012810: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+00012820: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming.....<\n+00012950: 6720 6964 3d22 6564 6765 3839 2220 636c g id=\"edge89\" cl\n+00012960: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00012980: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n+00012990: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000129a0: 726f 6d61 6373 5f73 696d 643c 2f74 6974 romacs_simd..\n+00012a30: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+00012aa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+00012b10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012b20: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n+00012b30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012b40: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n+00012b50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00012b60: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00012b70: 6662 6622 2064 3d22 4d39 3030 2e33 392c fbf\" d=\"M900.39,\n+00012b80: 2d32 3734 2e33 4338 3434 2e33 312c 2d32 -274.3C844.31,-2\n+00012b90: 3633 2e32 3920 3731 392e 3931 2c2d 3233 63.29 719.91,-23\n+00012ba0: 382e 3836 2036 3537 2c2d 3232 362e 3531 8.86 657,-226.51\n+00012bb0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00012bc0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00012bd0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+00012be0: 6e74 733d 2236 3537 2e35 382c 2d32 3233 nts=\"657.58,-223\n+00012bf0: 2e30 3520 3634 372e 3039 2c2d 3232 342e .05 647.09,-224.\n+00012c00: 3536 2036 3536 2e32 332c 2d32 3239 2e39 56 656.23,-229.9\n+00012c10: 3220 3635 372e 3538 2c2d 3232 332e 3035 2 657.58,-223.05\n+00012c20: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00012c30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012c40: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n+00012c50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012c60: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n+00012c70: 6964 3d22 6564 6765 3836 2220 636c 6173 id=\"edge86\" clas\n+00012c80: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00012c90: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00012ca0: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n+00012cb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00012cc0: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+00012cd0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00012ce0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00012cf0: 6662 6662 6622 2064 3d22 4d39 3137 2e33 fbfbf\" d=\"M917.3\n+00012d00: 372c 2d32 3933 2e37 3243 3930 322e 3638 7,-293.72C902.68\n+00012d10: 2c2d 3330 382e 3620 3837 362e 3539 2c2d ,-308.6 876.59,-\n+00012d20: 3333 342e 3933 2038 3534 2c2d 3335 372e 334.93 854,-357.\n+00012d30: 3232 2038 3039 2e30 362c 2d34 3031 2e35 22 809.06,-401.5\n+00012d40: 3620 3739 312e 3839 2c2d 3430 372e 3135 6 791.89,-407.15\n+00012d50: 2037 3532 2c2d 3435 362e 3039 2037 3130 752,-456.09 710\n+00012d60: 2e34 382c 2d35 3037 2e30 3420 3631 342e .48,-507.04 614.\n+00012d70: 312c 2d36 3830 2e37 3420 3635 322c 2d37 1,-680.74 652,-7\n+00012d80: 3334 2e34 3420 3638 342e 3633 2c2d 3738 34.44 684.63,-78\n+00012d90: 302e 3638 2038 3531 2e32 312c 2d38 3231 0.68 851.21,-821\n+00012da0: 2e34 3420 3932 372e 3136 2c2d 3833 372e .44 927.16,-837.\n+00012db0: 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2066 95\"/>.<polygon f\n+00012dc0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00012dd0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00012de0: 6f69 6e74 733d 2239 3236 2e37 342c 2d38 oints=\"926.74,-8\n+00012df0: 3431 2e34 3420 3933 372e 3235 2c2d 3834 41.44 937.25,-84\n+00012e00: 302e 3131 2039 3238 2e32 312c 2d38 3334 0.11 928.21,-834\n+00012e10: 2e35 3920 3932 362e 3734 2c2d 3834 312e .59 926.74,-841.\n+00012e20: 3434 222f 3e0a 3c2f 673e 0a3c 212d 2d20 44\"/>.</g>.<!-- \n+00012e30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012e40: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+00012e50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012e60: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n+00012e70: 3e0a 3c67 2069 643d 2265 6467 6538 3322 >.<g id=\"edge83\"\n+00012e80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00012e90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00012ea0: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+00012eb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012ec0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00012ed0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......module_src_gro\n+00013110: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+00013120: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013130: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes..<\n+00013200: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+00013210: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+00013220: 706f 696e 7473 3d22 3130 3135 2e38 322c points=\"1015.82,\n+00013230: 2d31 3032 382e 3932 2031 3032 362e 3336 -1028.92 1026.36\n+00013240: 2c2d 3130 3237 2e38 3320 3130 3137 2e34 ,-1027.83 1017.4\n+00013250: 342c 2d31 3032 322e 3131 2031 3031 352e 4,-1022.11 1015.\n+00013260: 3832 2c2d 3130 3238 2e39 3222 2f3e 0a3c 82,-1028.92\"/>.<\n+00013270: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+000132a0: 6720 6964 3d22 6e6f 6465 3133 2220 636c g id=\"node13\" cl\n+000132b0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+000132d0: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n+000132e0: 7973 6973 3c2f 7469 746c 653e 0a3c 656c ysis..en\n+000133a0: 6572 6779 616e 616c 7973 6973 3c2f 7465 ergyanalysis....module\n+00013430: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65 _src_gromacs_ene\n+00013440: 7267 7961 6e61 6c79 7369 7326 2334 353b rgyanalysis-\n+00013450: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013460: 726f 6d61 6373 5f67 6d78 616e 613c 2f74 romacs_gmxana</t\n+00013470: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00013480: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00013490: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+000134a0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+000134b0: 643d 224d 3239 3737 2e38 2c2d 3135 3330 d=\"M2977.8,-1530\n+000134c0: 2e32 3243 3238 3337 2e37 322c 2d31 3530 .22C2837.72,-150\n+000134d0: 382e 3232 2032 3431 322e 3133 2c2d 3134 8.22 2412.13,-14\n+000134e0: 3431 2e33 3920 3232 3736 2e37 392c 2d31 41.39 2276.79,-1\n+000134f0: 3432 302e 3134 222f 3e0a 3c70 6f6c 7967 420.14\"/>.<polyg\n+00013500: 6f6e 2066 696c 6c3d 2223 3263 6363 3238 on fill=\"#2ccc28\n+00013510: 2220 7374 726f 6b65 3d22 2332 6363 6332 \" stroke=\"#2ccc2\n+00013520: 3822 2070 6f69 6e74 733d 2232 3237 372e 8\" points=\"2277.\n+00013530: 3234 2c2d 3134 3136 2e36 3720 3232 3636 24,-1416.67 2266\n+00013540: 2e38 322c 2d31 3431 382e 3537 2032 3237 .82,-1418.57 227\n+00013550: 362e 3135 2c2d 3134 3233 2e35 3820 3232 6.15,-1423.58 22\n+00013560: 3737 2e32 342c 2d31 3431 362e 3637 222f 77.24,-1416.67\"/\n+00013570: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00013580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00013590: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+000135a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000135b0: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+000135c0: 643d 2265 6467 6531 3035 2220 636c 6173 d=\"edge105\" clas\n+000135d0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000135e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000135f0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+00013600: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013610: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n+00013620: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00013630: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00013640: 6266 6266 6266 2220 643d 224d 3139 3138 bfbfbf\" d=\"M1918\n+00013650: 2e31 392c 2d36 3038 2e33 3843 3139 3235 .19,-608.38C1925\n+00013660: 2e30 382c 2d36 3233 2e38 3120 3139 3333 .08,-623.81 1933\n+00013670: 2e34 372c 2d36 3530 2e39 3520 3139 3436 .47,-650.95 1946\n+00013680: 2c2d 3637 312e 3537 2031 3936 352e 3539 ,-671.57 1965.59\n+00013690: 2c2d 3730 332e 3820 3139 3737 2e35 392c ,-703.8 1977.59,\n+000136a0: 2d37 3036 2e35 3720 3230 3033 2c2d 3733 -706.57 2003,-73\n+000136b0: 342e 3434 2032 3031 372e 3632 2c2d 3735 4.44 2017.62,-75\n+000136c0: 302e 3438 2032 3032 382e 3133 2c2d 3735 0.48 2028.13,-75\n+000136d0: 302e 3231 2032 3033 362c 2d37 3730 2e34 0.21 2036,-770.4\n+000136e0: 3420 3230 3430 2e33 332c 2d37 3831 2e35 4 2040.33,-781.5\n+000136f0: 3720 3230 3338 2e39 322c 2d37 3835 2e37 7 2038.92,-785.7\n+00013700: 3320 3230 3336 2c2d 3739 372e 3331 2032 3 2036,-797.31 2\n+00013710: 3030 382e 3834 2c2d 3930 352e 3032 2031 008.84,-905.02 1\n+00013720: 3837 392e 3535 2c2d 3131 3630 2e39 3120 879.55,-1160.91 \n+00013730: 3137 3939 2c2d 3132 3337 2e34 2031 3733 1799,-1237.4 173\n+00013740: 382e 3234 2c2d 3132 3935 2e31 3120 3136 8.24,-1295.11 16\n+00013750: 3432 2e30 342c 2d31 3332 372e 3635 2031 42.04,-1327.65 1\n+00013760: 3539 302e 3331 2c2d 3133 3431 2e31 3822 590.31,-1341.18\"\n+00013770: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00013780: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00013790: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+000137a0: 7473 3d22 3135 3839 2e34 322c 2d31 3333 ts=\"1589.42,-133\n+000137b0: 372e 3739 2031 3538 302e 3538 2c2d 3133 7.79 1580.58,-13\n+000137c0: 3433 2e36 3320 3135 3931 2e31 332c 2d31 43.63 1591.13,-1\n+000137d0: 3334 342e 3538 2031 3538 392e 3432 2c2d 344.58 1589.42,-\n+000137e0: 3133 3337 2e37 3922 2f3e 0a3c 2f67 3e0a 1337.79\"/>.</g>.\n+000137f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00013800: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+00013810: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00013820: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n+00013830: 6f67 7920 2d2d 3e0a 3c67 2069 643d 2265 ogy -->.<g id=\"e\n+00013840: 6467 6531 3037 2220 636c 6173 733d 2265 dge107\" class=\"e\n+00013850: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00013860: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013870: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+00013880: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00013890: 6373 5f74 6f70 6f6c 6f67 793c 2f74 6974 cs_topology</tit\n+000138a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000138b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000138c0: 6662 6662 6622 2064 3d22 4d31 3931 362e fbfbf\" d=\"M1916.\n+000138d0: 3637 2c2d 3630 382e 3436 4331 3932 362e 67,-608.46C1926.\n+000138e0: 3439 2c2d 3632 332e 3734 2031 3934 342e 49,-623.74 1944.\n+000138f0: 3335 2c2d 3635 302e 3439 2031 3936 322c 35,-650.49 1962,\n+00013900: 2d36 3731 2e35 3720 3230 3235 2e34 382c -671.57 2025.48,\n+00013910: 2d37 3437 2e33 3820 3231 3136 2e30 382c -747.38 2116.08,\n+00013920: 2d37 3638 2e31 3220 3230 3830 2c2d 3836 -768.12 2080,-86\n+00013930: 302e 3138 2032 3034 362e 3336 2c2d 3934 0.18 2046.36,-94\n+00013940: 362e 3031 2031 3833 322e 3638 2c2d 3131 6.01 1832.68,-11\n+00013950: 3433 2e31 3720 3137 3634 2e37 322c 2d31 43.17 1764.72,-1\n+00013960: 3230 342e 3435 222f 3e0a 3c70 6f6c 7967 204.45\"/>.<polyg\n+00013970: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00013980: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00013990: 6622 2070 6f69 6e74 733d 2231 3736 322e f\" points=\"1762.\n+000139a0: 3237 2c2d 3132 3031 2e39 3420 3137 3537 27,-1201.94 1757\n+000139b0: 2e31 382c 2d31 3231 312e 3233 2031 3736 .18,-1211.23 176\n+000139c0: 362e 3935 2c2d 3132 3037 2e31 3420 3137 6.95,-1207.14 17\n+000139d0: 3632 2e32 372c 2d31 3230 312e 3934 222f 62.27,-1201.94\"/\n+000139e0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000139f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00013a00: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+00013a10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013a20: 735f 6c69 6e65 6172 616c 6765 6272 6120 s_linearalgebra \n+00013a30: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00013a40: 3034 2220 636c 6173 733d 2265 6467 6522 04\" class=\"edge\"\n+00013a50: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00013a60: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00013a70: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00013a80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00013a90: 696e 6561 7261 6c67 6562 7261 3c2f 7469 inearalgebra</ti\n+00013aa0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00013ab0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00013ac0: 6266 6266 6266 2220 643d 224d 3139 3430 bfbfbf\" d=\"M1940\n+00013ad0: 2e31 372c 2d35 3934 2e31 3243 3231 3335 .17,-594.12C2135\n+00013ae0: 2e32 312c 2d35 3932 2e37 3220 3331 3838 .21,-592.72 3188\n+00013af0: 2e31 362c 2d35 3737 2e38 3820 3334 3630 .16,-577.88 3460\n+00013b00: 2c2d 3432 302e 3039 2033 3439 352e 3834 ,-420.09 3495.84\n+00013b10: 2c2d 3339 392e 3239 2033 3531 352c 2d33 ,-399.29 3515,-3\n+00013b20: 3836 2e32 3320 3335 3135 2c2d 3334 342e 86.23 3515,-344.\n+00013b30: 3739 2033 3531 352c 2d33 3434 2e37 3920 79 3515,-344.79 \n+00013b40: 3335 3135 2c2d 3334 342e 3739 2033 3531 3515,-344.79 351\n+00013b50: 352c 2d31 3534 2e31 3820 3335 3135 2c2d 5,-154.18 3515,-\n+00013b60: 3132 302e 3035 2033 3530 392e 3436 2c2d 120.05 3509.46,-\n+00013b70: 3130 362e 3132 2033 3533 302c 2d37 382e 106.12 3530,-78.\n+00013b80: 3837 2033 3534 322e 3631 2c2d 3632 2e31 87 3542.61,-62.1\n+00013b90: 3420 3335 3632 2e36 352c 2d35 302e 3720 4 3562.65,-50.7 \n+00013ba0: 3335 3831 2c2d 3433 2e31 3622 2f3e 0a3c 3581,-43.16\"/>.<\n+00013bb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00013bc0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00013bd0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00013be0: 3335 3832 2e33 2c2d 3436 2e34 3120 3335 3582.3,-46.41 35\n+00013bf0: 3930 2e33 392c 2d33 392e 3537 2033 3537 90.39,-39.57 357\n+00013c00: 392e 382c 2d33 392e 3837 2033 3538 322e 9.8,-39.87 3582.\n+00013c10: 332c 2d34 362e 3431 222f 3e0a 3c2f 673e 3,-46.41\"/>.</g>\n+00013c20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00013c30: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00013c40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00013c50: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00013c60: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564 io -->.<g id=\"ed\n+00013c70: 6765 3130 3122 2063 6c61 7373 3d22 6564 ge101\" class=\"ed\n+00013c80: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00013c90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00013ca0: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+00013cb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013cc0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+00013cd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n+00013e50: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00013e60: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00013e70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00013e80: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec....\n+00014280: 0a3c 6720 6964 3d22 6564 6765 3939 2220 ..module_src_\n+000142b0: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+000142c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000142d0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+000142e0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty....<\n+00014470: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014480: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00014490: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000144a0: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n+000144b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n+000144e0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+000144f0: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n+00014500: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014510: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n+00014520: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00014530: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00014540: 2220 643d 224d 3139 3135 2e33 372c 2d35 \" d=\"M1915.37,-5\n+00014550: 3832 2e30 3643 3139 3430 2e39 342c 2d35 82.06C1940.94,-5\n+00014560: 3334 2e32 3620 3230 3431 2e31 392c 2d33 34.26 2041.19,-3\n+00014570: 3537 2e39 3520 3231 3734 2c2d 3236 372e 57.95 2174,-267.\n+00014580: 3438 2032 3230 382e 382c 2d32 3433 2e37 48 2208.8,-243.7\n+00014590: 3720 3232 3535 2e38 342c 2d32 3331 2e31 7 2255.84,-231.1\n+000145a0: 3820 3232 3838 2e35 342c 2d32 3234 2e38 8 2288.54,-224.8\n+000145b0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.....m\n+000146a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000146b0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+000146c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000146d0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+000146e0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...<\n+000147e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00014850: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014860: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+00014870: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00014880: 6d61 6373 5f70 6263 7574 696c 3c2f 7469 macs_pbcutil</ti\n+00014890: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000148a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000148b0: 6266 6266 6266 2220 643d 224d 3138 3738 bfbfbf\" d=\"M1878\n+000148c0: 2e33 352c 2d35 3932 2e34 3343 3137 3138 .35,-592.43C1718\n+000148d0: 2e34 382c 2d35 3832 2e34 3120 3938 302e .48,-582.41 980.\n+000148e0: 3132 2c2d 3533 302e 3735 2037 3834 2c2d 12,-530.75 784,-\n+000148f0: 3432 302e 3039 2037 3531 2e31 352c 2d34 420.09 751.15,-4\n+00014900: 3031 2e35 3620 3734 362e 3533 2c2d 3338 01.56 746.53,-38\n+00014910: 392e 3438 2037 3237 2c2d 3335 372e 3232 9.48 727,-357.22\n+00014920: 2037 3034 2e39 392c 2d33 3230 2e38 3720 704.99,-320.87 \n+00014930: 3732 302e 3535 2c2d 3330 302e 3636 2036 720.55,-300.66 6\n+00014940: 3934 2c2d 3236 372e 3438 2036 3832 2e32 94,-267.48 682.2\n+00014950: 312c 2d32 3532 2e37 3520 3636 342e 3637 1,-252.75 664.67\n+00014960: 2c2d 3234 312e 3037 2036 3439 2e35 322c ,-241.07 649.52,\n+00014970: 2d32 3332 2e38 3822 2f3e 0a3c 706f 6c79 -232.88\"/>.<poly\n+00014980: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00014990: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+000149a0: 6266 2220 706f 696e 7473 3d22 3635 302e bf\" points=\"650.\n+000149b0: 3936 2c2d 3232 392e 3639 2036 3430 2e34 96,-229.69 640.4\n+000149c0: 372c 2d32 3238 2e32 3320 3634 372e 3737 7,-228.23 647.77\n+000149d0: 2c2d 3233 352e 3932 2036 3530 2e39 362c ,-235.92 650.96,\n+000149e0: 2d32 3239 2e36 3922 2f3e 0a3c 2f67 3e0a -229.69\"/>.</g>.\n+000149f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00014a00: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+00014a10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014a20: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00014a30: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+00014a40: 6539 3622 2063 6c61 7373 3d22 6564 6765 e96\" class=\"edge\n+00014a50: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00014a60: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+00014a70: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n+00014a80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014a90: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+00014aa0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00014ab0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00014ac0: 2220 643d 224d 3138 3831 2e39 332c 2d36 \" d=\"M1881.93,-6\n+00014ad0: 3031 2e39 4331 3738 362e 3332 2c2d 3632 01.9C1786.32,-62\n+00014ae0: 312e 3938 2031 3435 352e 3833 2c2d 3639 1.98 1455.83,-69\n+00014af0: 332e 3033 2031 3138 382c 2d37 3730 2e34 3.03 1188,-770.4\n+00014b00: 3420 3131 3139 2e33 352c 2d37 3930 2e32 4 1119.35,-790.2\n+00014b10: 3820 3130 3430 2e34 332c 2d38 3138 2e31 8 1040.43,-818.1\n+00014b20: 3620 3939 372e 3331 2c2d 3833 332e 3833 6 997.31,-833.83\n+00014b30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>..\n+00014ba0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+00014c10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014c20: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+00014c30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00014c40: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+00014c50: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00014c60: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00014c70: 2362 6662 6662 6622 2064 3d22 4d31 3839 #bfbfbf\" d=\"M189\n+00014c80: 332e 3233 2c2d 3630 362e 3836 4331 3833 3.23,-606.86C183\n+00014c90: 362e 3532 2c2d 3634 342e 3639 2031 3633 6.52,-644.69 163\n+00014ca0: 362e 392c 2d37 3735 2e33 2031 3436 302c 6.9,-775.3 1460,\n+00014cb0: 2d38 3630 2e31 3820 3133 3438 2e35 342c -860.18 1348.54,\n+00014cc0: 2d39 3133 2e36 3620 3133 3132 2e36 312c -913.66 1312.61,\n+00014cd0: 2d39 3038 2e30 3220 3132 3030 2c2d 3935 -908.02 1200,-95\n+00014ce0: 392e 3035 2031 3135 392e 3335 2c2d 3937 9.05 1159.35,-97\n+00014cf0: 372e 3437 2031 3131 342e 3038 2c2d 3130 7.47 1114.08,-10\n+00014d00: 3032 2e32 3620 3130 3835 2e38 312c 2d31 02.26 1085.81,-1\n+00014d10: 3031 382e 3238 222f 3e0a 3c70 6f6c 7967 018.28\"/>.<polyg\n+00014d20: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00014d30: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00014d40: 6622 2070 6f69 6e74 733d 2231 3038 332e f\" points=\"1083.\n+00014d50: 3837 2c2d 3130 3135 2e33 3620 3130 3736 87,-1015.36 1076\n+00014d60: 2e39 312c 2d31 3032 332e 3335 2031 3038 .91,-1023.35 108\n+00014d70: 372e 3334 2c2d 3130 3231 2e34 3420 3130 7.34,-1021.44 10\n+00014d80: 3833 2e38 372c 2d31 3031 352e 3336 222f 83.87,-1015.36\"/\n+00014d90: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00014da0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n+00014db0: 7074 696f 6e73 2623 3435 3b26 6774 3b6d ptions->m\n+00014dc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014dd0: 735f 7574 696c 6974 7920 2d2d 3e0a 3c67 s_utility -->.<g\n+00014de0: 2069 643d 2265 6467 6531 3038 2220 636c id=\"edge108\" cl\n+00014df0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00014e00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00014e10: 6f6d 6163 735f 6f70 7469 6f6e 7326 2334 omacs_options\n+00014e20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014e30: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+00014e40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+00015010: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015020: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00015030: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00015040: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00015050: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modul\n+000151c0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000151d0: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+000151e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000151f0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib..\n+00015360: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+000153e0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+000153f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00015400: 726f 6d61 6373 5f74 6f70 6f6c 6f67 793c romacs_topology<\n+00015410: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+00015530: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015540: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00015550: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00015560: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00015570: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n+000155a0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+000155b0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+000155c0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+000155d0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio..\n+000156a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+00015760: 3c67 2069 643d 2265 6467 6531 3232 2220 .module_src_\n+00015790: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+000157a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000157b0: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+000157c0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re......modu\n+000159a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000159b0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+000159c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000159d0: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n+000159e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000159f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00015a00: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00015a10: 6179 3d22 352c 3222 2064 3d22 4d31 3436 ay=\"5,2\" d=\"M146\n+00015a20: 342e 3034 2c2d 3936 342e 3132 4331 3433 4.04,-964.12C143\n+00015a30: 372e 3535 2c2d 3935 352e 3733 2031 3339 7.55,-955.73 139\n+00015a40: 382e 3334 2c2d 3934 302e 3837 2031 3336 8.34,-940.87 136\n+00015a50: 372c 2d39 3233 2e30 3520 3133 3439 2e36 7,-923.05 1349.6\n+00015a60: 342c 2d39 3133 2e31 3920 3133 3438 2e31 4,-913.19 1348.1\n+00015a70: 312c 2d39 3036 2e34 3820 3133 3331 2c2d 1,-906.48 1331,-\n+00015a80: 3839 362e 3138 2031 3239 382e 3938 2c2d 896.18 1298.98,-\n+00015a90: 3837 362e 3931 2031 3238 382e 3532 2c2d 876.91 1288.52,-\n+00015aa0: 3837 362e 3732 2031 3235 352c 2d38 3630 876.72 1255,-860\n+00015ab0: 2e31 3820 3131 3435 2e32 342c 2d38 3036 .18 1145.24,-806\n+00015ac0: 2e30 3320 3131 3034 2e34 372c 2d38 3132 .03 1104.47,-812\n+00015ad0: 2e32 3520 3130 3130 2c2d 3733 342e 3434 .25 1010,-734.44\n+00015ae0: 2039 3331 2e39 392c 2d36 3730 2e31 3920 931.99,-670.19 \n+00015af0: 3930 382e 3331 2c2d 3634 332e 3637 2038 908.31,-643.67 8\n+00015b00: 3833 2c2d 3534 352e 3833 2038 3638 2e39 83,-545.83 868.9\n+00015b10: 352c 2d34 3931 2e35 3220 3837 342e 3435 5,-491.52 874.45\n+00015b20: 2c2d 3437 362e 3133 2038 3732 2c2d 3432 ,-476.13 872,-42\n+00015b30: 302e 3039 2038 3731 2e34 382c 2d34 3038 0.09 871.48,-408\n+00015b40: 2e31 3620 3836 382e 3433 2c2d 3430 342e .16 868.43,-404.\n+00015b50: 3632 2038 3732 2c2d 3339 332e 3232 2038 62 872,-393.22 8\n+00015b60: 3737 2e38 322c 2d33 3734 2e36 3320 3838 77.82,-374.63 88\n+00015b70: 382e 352c 2d33 3734 2e37 3520 3839 372c 8.5,-374.75 897,\n+00015b80: 2d33 3537 2e32 3220 3930 352e 3334 2c2d -357.22 905.34,-\n+00015b90: 3334 302e 3033 2039 3131 2e34 332c 2d33 340.03 911.43,-3\n+00015ba0: 3139 2e31 3720 3931 362e 372c 2d33 3033 19.17 916.7,-303\n+00015bb0: 2e37 3722 2f3e 0a3c 706f 6c79 676f 6e20 .77\"/>.....m\n+00015ef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015f00: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00015f10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00015f20: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald</title\n+00015f30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00015f40: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+00015f50: 2064 3d22 4d31 3438 362e 3933 2c2d 3935 d=\"M1486.93,-95\n+00015f60: 392e 3243 3134 3834 2e37 342c 2d39 3434 9.2C1484.74,-944\n+00015f70: 2e32 3720 3134 3835 2e37 372c 2d39 3138 .27 1485.77,-918\n+00015f80: 2e33 3320 3134 3838 2c2d 3839 362e 3138 .33 1488,-896.18\n+00015f90: 2031 3439 302e 3834 2c2d 3836 382e 3037 1490.84,-868.07\n+00015fa0: 2031 3534 382e 3439 2c2d 3431 372e 3436 1548.49,-417.46\n+00015fb0: 2031 3536 332c 2d33 3933 2e32 3220 3135 1563,-393.22 15\n+00015fc0: 3732 2e35 312c 2d33 3737 2e33 3220 3135 72.51,-377.32 15\n+00015fd0: 3839 2e34 342c 2d33 3634 2e39 3620 3136 89.44,-364.96 16\n+00015fe0: 3034 2e38 362c 2d33 3536 2e37 3122 2f3e 04.86,-356.71\"/>\n+00015ff0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00016000: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n+00016010: 2220 706f 696e 7473 3d22 3136 3036 2e37 \" points=\"1606.7\n+00016020: 362c 2d33 3539 2e36 3720 3136 3134 2e31 6,-359.67 1614.1\n+00016030: 382c 2d33 3532 2e31 3120 3136 3033 2e36 8,-352.11 1603.6\n+00016040: 362c 2d33 3533 2e33 3920 3136 3036 2e37 6,-353.39 1606.7\n+00016050: 362c 2d33 3539 2e36 3722 2f3e 0a3c 2f67 6,-359.67\"/>.</g\n+00016060: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00016070: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00016080: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00016090: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+000160a0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->.<g id=\"e\n+000160b0: 6467 6531 3133 2220 636c 6173 733d 2265 dge113\" class=\"e\n+000160c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000160d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000160e0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+000160f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016100: 735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n+00016110: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00016120: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00016130: 6663 6322 2064 3d22 4d31 3530 302e 3132 fcc\" d=\"M1500.12\n+00016140: 2c2d 3938 352e 3637 4331 3531 302e 382c ,-985.67C1510.8,\n+00016150: 2d31 3030 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2032 56.81,-1155.81 2\n+00016240: 3635 362e 3635 2c2d 3131 3632 2e38 3122 656.65,-1162.81\"\n+00016250: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00016260: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016270: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00016280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016290: 735f 7469 6d69 6e67 202d 2d3e 0a3c 6720 s_timing -->.<g \n+000162a0: 6964 3d22 6564 6765 3131 3622 2063 6c61 id=\"edge116\" cla\n+000162b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000162c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000162d0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+000162e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000162f0: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing</t\n+00016300: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00016310: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00016320: 2362 6662 6662 6622 2064 3d22 4d31 3532 #bfbfbf\" d=\"M152\n+00016330: 392e 3236 2c2d 3937 312e 3433 4331 3634 9.26,-971.43C164\n+00016340: 312e 3639 2c2d 3937 302e 3739 2031 3938 1.69,-970.79 198\n+00016350: 322e 3938 2c2d 3936 352e 3333 2032 3038 2.98,-965.33 208\n+00016360: 342c 2d39 3233 2e30 3520 3231 3233 2e35 4,-923.05 2123.5\n+00016370: 2c2d 3930 362e 3532 2032 3132 352e 3432 ,-906.52 2125.42\n+00016380: 2c2d 3838 392e 3120 3231 3537 2c2d 3836 ,-889.1 2157,-86\n+00016390: 302e 3138 2032 3330 342e 3734 2c2d 3732 0.18 2304.74,-72\n+000163a0: 342e 3920 3233 3837 2e37 392c 2d37 3233 4.9 2387.79,-723\n+000163b0: 2e36 3620 3234 3830 2c2d 3534 352e 3833 .66 2480,-545.83\n+000163c0: 2032 3533 362e 3935 2c2d 3433 362e 3031 2536.95,-436.01\n+000163d0: 2032 3536 302e 3733 2c2d 3336 312e 3232 2560.73,-361.22\n+000163e0: 2032 3438 302c 2d32 3637 2e34 3820 3234 2480,-267.48 24\n+000163f0: 3532 2e31 352c 2d32 3335 2e31 3520 3234 52.15,-235.15 24\n+00016400: 3032 2e38 362c 2d32 3234 2e31 3720 3233 02.86,-224.17 23\n+00016410: 3637 2e37 362c 2d32 3230 2e35 3622 2f3e 67.76,-220.56\"/>\n+00016420: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00016430: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00016440: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00016450: 3d22 3233 3637 2e36 322c 2d32 3137 2e30 =\"2367.62,-217.0\n+00016460: 3420 3233 3537 2e33 352c 2d32 3139 2e36 4 2357.35,-219.6\n+00016470: 3620 3233 3637 2e30 322c 2d32 3234 2e30 6 2367.02,-224.0\n+00016480: 3120 3233 3637 2e36 322c 2d32 3137 2e30 1 2367.62,-217.0\n+00016490: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+000164a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000164b0: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069 s_mdrun -->.<g i\n+000164c0: 643d 226e 6f64 6532 3922 2063 6c61 7373 d=\"node29\" class\n+000164d0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+000164e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000164f0: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n+00016500: 0a3c 6720 6964 3d22 615f 6e6f 6465 3239 ..\n+00016560: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .m\n+00016610: 6472 756e 3c2f 7465 7874 3e0a 3c2f 613e drun.\n+00016620: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 ....<\n+00016670: 6720 6964 3d22 6564 6765 3132 3322 2063 g id=\"edge123\" c\n+00016680: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000166a0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+000166b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000166c0: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f _gromacs_mdrun..\n+00016820: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+00016890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000168a0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+000168b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000168c0: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70 s_imd..\n+00016a10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+00016a90: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00016aa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00016ab0: 6f6d 6163 735f 7062 6375 7469 6c3c 2f74 omacs_pbcutil......\n+00016d00: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00016d10: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00016d20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00016d30: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+00016d40: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at......modu\n+00016f20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00016f30: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+00016f40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016f50: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+00016f60: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00017070: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00017080: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00017090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000170a0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+000170b0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564 ls -->..modu\n+000170e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000170f0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+00017100: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017110: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n+00017120: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00017130: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00017140: 6266 6266 2220 643d 224d 3135 3038 2e34 bfbf\" d=\"M1508.4\n+00017150: 312c 2d39 3834 2e37 3443 3135 3334 2e39 1,-984.74C1534.9\n+00017160: 322c 2d31 3030 332e 3837 2031 3538 382e 2,-1003.87 1588.\n+00017170: 3431 2c2d 3130 3431 2e33 3920 3136 3130 41,-1041.39 1610\n+00017180: 2c2d 3130 3438 2e37 3920 3137 3031 2e32 ,-1048.79 1701.2\n+00017190: 312c 2d31 3038 302e 3035 2031 3939 302e 1,-1080.05 1990.\n+000171a0: 3132 2c2d 3130 3932 2e31 3720 3231 3036 12,-1092.17 2106\n+000171b0: 2e36 2c2d 3130 3935 2e38 3622 2f3e 0a3c .6,-1095.86\"/>.<\n+000171c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000171d0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000171e0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000171f0: 3231 3036 2e35 362c 2d31 3039 392e 3336 2106.56,-1099.36\n+00017200: 2032 3131 362e 3637 2c2d 3130 3936 2e31 2116.67,-1096.1\n+00017210: 3820 3231 3036 2e37 382c 2d31 3039 322e 8 2106.78,-1092.\n+00017220: 3337 2032 3130 362e 3536 2c2d 3130 3939 37 2106.56,-1099\n+00017230: 2e33 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .36\"/>.</g>.<!--\n+00017240: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00017250: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00017260: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00017270: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes --\n+00017280: 3e0a 3c67 2069 643d 2265 6467 6531 3130 >.<g id=\"edge110\n+00017290: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000172a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000172b0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+000172c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000172d0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+000172e0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module_\n+00017560: 7372 635f 6772 6f6d 6163 735f 6666 7426 src_gromacs_fft&\n+00017570: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00017580: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+00017590: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......\n+000177e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000177f0: 6373 5f66 6674 2623 3435 3b26 6774 3b6d cs_fft->m\n+00017800: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017810: 735f 7469 6d69 6e67 3c2f 7469 746c 653e s_timing\n+00017820: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n+00017900: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+00017970: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017980: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64 _fft->mod\n+00017990: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000179a0: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+000179b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000179c0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+000179d0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000179e0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000179f0: 3332 3336 2e36 2c2d 3239 342e 3337 4333 3236.6,-294.37C3\n+00017a00: 3234 332e 3931 2c2d 3335 322e 3338 2033 243.91,-352.38 3\n+00017a10: 3237 332e 332c 2d35 3936 2e34 3820 3332 273.3,-596.48 32\n+00017a20: 3630 2c2d 3637 312e 3537 2033 3234 342e 60,-671.57 3244.\n+00017a30: 3433 2c2d 3735 392e 3436 2033 3235 342e 43,-759.46 3254.\n+00017a40: 3336 2c2d 3739 372e 3331 2033 3139 312c 36,-797.31 3191,\n+00017a50: 2d38 3630 2e31 3820 3330 3437 2e32 352c -860.18 3047.25,\n+00017a60: 2d31 3030 322e 3834 2032 3338 372e 3734 -1002.84 2387.74\n+00017a70: 2c2d 3130 3735 2e32 3420 3232 3033 2e37 ,-1075.24 2203.7\n+00017a80: 372c 2d31 3039 322e 3839 222f 3e0a 3c70 7,-1092.89\"/>.<p\n+00017a90: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00017aa0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00017ab0: 3832 6663 6322 2070 6f69 6e74 733d 2232 82fcc\" points=\"2\n+00017ac0: 3230 332e 3233 2c2d 3130 3839 2e34 3320 203.23,-1089.43 \n+00017ad0: 3231 3933 2e36 2c2d 3130 3933 2e38 3620 2193.6,-1093.86 \n+00017ae0: 3232 3033 2e38 392c 2d31 3039 362e 3420 2203.89,-1096.4 \n+00017af0: 3232 3033 2e32 332c 2d31 3038 392e 3433 2203.23,-1089.43\n+00017b00: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00017b10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017b20: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64 _fft->mod\n+00017b30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017b40: 6d61 7468 202d 2d3e 0a3c 6720 6964 3d22 math -->.<g id=\"\n+00017b50: 6564 6765 3132 3822 2063 6c61 7373 3d22 edge128\" class=\"\n+00017b60: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00017b70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017b80: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64 _fft->mod\n+00017b90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017ba0: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math......module_src_gro\n+00017ec0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+00017ed0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00017ee0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+00017ef0: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons.\n+00018000: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+000180a0: 3c67 2069 643d 226e 6f64 6532 3122 2063 .module_src_g\n+000180d0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n+000180e0: 703c 2f74 6974 6c65 3e0a 3c67 2069 643d p...onlinehelp....\n+00018270: 0a3c 6720 6964 3d22 6564 6765 3133 3122 ..<\n+00018290: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000182a0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+000182b0: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64 line->mod\n+000182c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000182d0: 6f6e 6c69 6e65 6865 6c70 3c2f 7469 746c onlinehelp......m\n+00018680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018690: 735f 7461 626c 6573 2623 3435 3b26 6774 s_tables->\n+000186a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000186b0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+000186c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000186d0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" 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2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000187d0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+000187e0: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->.<g id=\"e\n+000187f0: 6467 6531 3430 2220 636c 6173 733d 2265 dge140\" class=\"e\n+00018800: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00018810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018820: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+00018830: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018840: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n+00018850: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00018860: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00018870: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00018880: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00018890: 3132 312e 3036 2c2d 3737 3243 3139 372e 121.06,-772C197.\n+000188a0: 3235 2c2d 3731 372e 3732 2035 3439 2e35 25,-717.72 549.5\n+000188b0: 382c 2d34 3735 2e34 3920 3838 312c 2d33 8,-475.49 881,-3\n+000188c0: 3933 2e32 3220 3131 3931 2e39 2c2d 3331 93.22 1191.9,-31\n+000188d0: 362e 3035 2031 3237 392e 3131 2c2d 3334 6.05 1279.11,-34\n+000188e0: 372e 3135 2031 3539 392c 2d33 3330 2e33 7.15 1599,-330.3\n+000188f0: 3520 3235 3038 2e31 312c 2d32 3832 2e36 5 2508.11,-282.6\n+00018900: 3220 3237 3338 2e31 332c 2d33 3436 2e34 2 2738.13,-346.4\n+00018910: 2033 3634 372c 2d32 3934 2e33 3520 3336 3647,-294.35 36\n+00018920: 3735 2e37 372c 2d32 3932 2e37 2033 3730 75.77,-292.7 370\n+00018930: 382e 3036 2c2d 3238 392e 3536 2033 3733 8.06,-289.56 373\n+00018940: 332e 3032 2c2d 3238 362e 3834 222f 3e0a 3.02,-286.84\"/>.\n+00018950: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00018960: 3263 6363 3238 2220 7374 726f 6b65 3d22 2ccc28\" stroke=\"\n+00018970: 2332 6363 6332 3822 2070 6f69 6e74 733d #2ccc28\" points=\n+00018980: 2233 3733 332e 3638 2c2d 3239 302e 3239 \"3733.68,-290.29\n+00018990: 2033 3734 332e 3233 2c2d 3238 352e 3731 3743.23,-285.71\n+000189a0: 2033 3733 322e 392c 2d32 3833 2e33 3320 3732.9,-283.33 \n+000189b0: 3337 3333 2e36 382c 2d32 3930 2e32 3922 3733.68,-290.29\"\n+000189c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000189d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000189e0: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+000189f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018a00: 735f 6d64 7370 616e 202d 2d3e 0a3c 6720 s_mdspan -->.<g \n+00018a10: 6964 3d22 6564 6765 3133 3822 2063 6c61 id=\"edge138\" cla\n+00018a20: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00018a30: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00018a40: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n+00018a50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018a60: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74 romacs_mdspan</t\n+00018a70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00018a80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00018a90: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00018aa0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00018ab0: 643d 224d 3934 2e33 2c2d 3737 312e 3434 d=\"M94.3,-771.44\n+00018ac0: 4337 342e 3631 2c2d 3735 302e 3931 2033 C74.61,-750.91 3\n+00018ad0: 372c 2d37 3035 2e36 3220 3337 2c2d 3635 7,-705.62 37,-65\n+00018ae0: 392e 3134 2033 372c 2d36 3539 2e31 3420 9.14 37,-659.14 \n+00018af0: 3337 2c2d 3635 392e 3134 2033 372c 2d31 37,-659.14 37,-1\n+00018b00: 3534 2e31 3820 3337 2c2d 3131 382e 3335 54.18 37,-118.35\n+00018b10: 2034 352e 3237 2c2d 3737 2e34 3220 3531 45.27,-77.42 51\n+00018b20: 2e31 382c 2d35 322e 3738 222f 3e0a 3c70 .18,-52.78\"/>.<p\n+00018b30: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00018b40: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00018b50: 3832 6663 6322 2070 6f69 6e74 733d 2235 82fcc\" points=\"5\n+00018b60: 342e 362c 2d35 332e 3532 2035 332e 3631 4.6,-53.52 53.61\n+00018b70: 2c2d 3432 2e39 3720 3437 2e38 2c2d 3531 ,-42.97 47.8,-51\n+00018b80: 2e38 3420 3534 2e36 2c2d 3533 2e35 3222 .84 54.6,-53.52\"\n+00018b90: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00018ba0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018bb0: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+00018bc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018bd0: 735f 7574 696c 6974 7920 2d2d 3e0a 3c67 s_utility -->.<g\n+00018be0: 2069 643d 2265 6467 6531 3334 2220 636c id=\"edge134\" cl\n+00018bf0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00018c00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00018c10: 6f6d 6163 735f 7461 626c 6573 2623 3435 omacs_tables-\n+00018c20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00018c30: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+00018c40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00018c50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00018c60: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n+00018c70: 3035 2e34 352c 2d37 3937 2e35 3543 3130 05.45,-797.55C10\n+00018c80: 352e 3434 2c2d 3831 342e 3120 3130 372e 5.44,-814.1 107.\n+00018c90: 3936 2c2d 3834 322e 3938 2031 3234 2c2d 96,-842.98 124,-\n+00018ca0: 3836 302e 3138 2032 3631 2e35 332c 2d31 860.18 261.53,-1\n+00018cb0: 3030 372e 3639 2033 3634 2e31 332c 2d39 007.69 364.13,-9\n+00018cc0: 3337 2e38 3620 3536 302c 2d39 3835 2e39 37.86 560,-985.9\n+00018cd0: 3220 3638 332e 3837 2c2d 3130 3136 2e33 2 683.87,-1016.3\n+00018ce0: 3120 3731 342e 3938 2c2d 3130 3233 2e35 1 714.98,-1023.5\n+00018cf0: 3420 3834 302c 2d31 3034 382e 3739 2039 4 840,-1048.79 9\n+00018d00: 3934 2e39 322c 2d31 3038 302e 3038 2031 94.92,-1080.08 1\n+00018d10: 3033 322e 3832 2c2d 3130 3935 2e31 2031 032.82,-1095.1 1\n+00018d20: 3139 302c 2d31 3131 312e 3636 2031 3438 190,-1111.66 148\n+00018d30: 362e 3736 2c2d 3131 3432 2e39 3220 3234 6.76,-1142.92 24\n+00018d40: 3531 2e30 372c 2d31 3135 362e 3935 2032 51.07,-1156.95 2\n+00018d50: 3635 362e 3335 2c2d 3131 3539 2e36 3222 656.35,-1159.62\"\n+00018d60: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00018d70: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00018d80: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00018d90: 7473 3d22 3236 3536 2e35 392c 2d31 3136 ts=\"2656.59,-116\n+00018da0: 332e 3132 2032 3636 362e 3633 2c2d 3131 3.12 2666.63,-11\n+00018db0: 3539 2e37 3520 3236 3536 2e36 382c 2d31 59.75 2656.68,-1\n+00018dc0: 3135 362e 3132 2032 3635 362e 3539 2c2d 156.12 2656.59,-\n+00018dd0: 3131 3633 2e31 3222 2f3e 0a3c 2f67 3e0a 1163.12\"/>.</g>.\n+00018de0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00018df0: 6772 6f6d 6163 735f 7461 626c 6573 2623 gromacs_tables&#\n+00018e00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018e10: 635f 6772 6f6d 6163 735f 7369 6d64 202d c_gromacs_simd -\n+00018e20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n+00018e30: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+00018e40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00018e50: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+00018e60: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00018e70: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n+00018e80: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d.\n+00018fb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00019020: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+000190a0: 6163 735f 7461 626c 6573 2623 3435 3b26 acs_tables-&\n+000190b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000190c0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes......modul\n+000192d0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+000192e0: 626c 6573 2623 3435 3b26 6774 3b6d 6f64 bles->mod\n+000192f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019300: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math...\n+00019460: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+000194b0: 6720 6964 3d22 6564 6765 3134 3122 2063 g id=\"edge141\" c\n+000194c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000194e0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n+000194f0: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+00019500: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+00019510: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity..<\n+00019640: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00019650: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00019660: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00019670: 3237 3333 2e34 2c2d 3131 3536 2e33 3820 2733.4,-1156.38 \n+00019680: 3237 3233 2e34 332c 2d31 3135 392e 3937 2723.43,-1159.97\n+00019690: 2032 3733 332e 3437 2c2d 3131 3633 2e33 2733.47,-1163.3\n+000196a0: 3820 3237 3333 2e34 2c2d 3131 3536 2e33 8 2733.4,-1156.3\n+000196b0: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>..\n+000196e0: 0a3c 6720 6964 3d22 6e6f 6465 3232 2220 ..module_src_\n+00019710: 6772 6f6d 6163 735f 7374 6174 6973 7469 gromacs_statisti\n+00019720: 6373 3c2f 7469 746c 653e 0a3c 656c 6c69 cs.\n+00019780: 0a3c 7465 7874 2074 6578 742d 616e 6368 .stati\n+000197e0: 7374 6963 733c 2f74 6578 743e 0a3c 2f67 stics....module_src_grom\n+00019870: 6163 735f 7374 6174 6973 7469 6373 2623 acs_statistics&#\n+00019880: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00019890: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+000198a0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n+000199d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00019a40: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+00019a50: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+00019a60: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00019a70: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib..\n+00019cc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+00019d40: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+00019d50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019d60: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology......mo\n+00019f80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019f90: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+00019fa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019fb0: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+00019fc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00019fd0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+00019fe0: 2220 643d 224d 3136 3434 2e39 362c 2d33 \" d=\"M1644.96,-3\n+00019ff0: 3330 2e34 3743 3136 3538 2e36 322c 2d33 30.47C1658.62,-3\n+0001a000: 3039 2e33 3420 3136 3836 2e36 362c 2d32 09.34 1686.66,-2\n+0001a010: 3635 2e39 3820 3137 3033 2e34 342c 2d32 65.98 1703.44,-2\n+0001a020: 3430 2e30 3222 2f3e 0a3c 706f 6c79 676f 40.02\"/>.<polygo\n+0001a030: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n+0001a040: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n+0001a050: 3d22 3137 3036 2e35 382c 2d32 3431 2e36 =\"1706.58,-241.6\n+0001a060: 3120 3137 3039 2e30 372c 2d32 3331 2e33 1 1709.07,-231.3\n+0001a070: 3120 3137 3030 2e37 2c2d 3233 372e 3831 1 1700.7,-237.81\n+0001a080: 2031 3730 362e 3538 2c2d 3234 312e 3631 1706.58,-241.61\n+0001a090: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001a0a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a0b0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+0001a0c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a0d0: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 s_nbnxm -->.<g i\n+0001a0e0: 643d 2265 6467 6531 3533 2220 636c 6173 d=\"edge153\" clas\n+0001a0f0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001a100: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001a110: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+0001a120: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001a130: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm</titl\n+0001a140: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001a150: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001a160: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001a170: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001a180: 4d31 3630 382e 3831 2c2d 3334 302e 3336 M1608.81,-340.36\n+0001a190: 4331 3439 392e 3133 2c2d 3333 302e 3933 C1499.13,-330.93\n+0001a1a0: 2031 3130 302e 3534 2c2d 3239 362e 3636 1100.54,-296.66\n+0001a1b0: 2039 3730 2e34 312c 2d32 3835 2e34 3822 970.41,-285.48\"\n+0001a1c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001a1d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001a1e0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+0001a1f0: 7473 3d22 3937 302e 372c 2d32 3831 2e39 ts=\"970.7,-281.9\n+0001a200: 3920 3936 302e 3434 2c2d 3238 342e 3632 9 960.44,-284.62\n+0001a210: 2039 3730 2e31 2c2d 3238 382e 3936 2039 970.1,-288.96 9\n+0001a220: 3730 2e37 2c2d 3238 312e 3939 222f 3e0a 70.7,-281.99\"/>.\n+0001a230: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001a240: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0001a250: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0001a260: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001a270: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22 mdec -->.<g id=\"\n+0001a280: 6564 6765 3134 3922 2063 6c61 7373 3d22 edge149\" class=\"\n+0001a290: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001a2a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a2b0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+0001a2c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a2d0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+0001a2e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n+0001a470: 6720 6964 3d22 6564 6765 3134 3822 2063 g id=\"edge148\" c\n+0001a480: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001a4a0: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001a4b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a4c0: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft.....\n+0001a5f0: 3c67 2069 643d 2265 6467 6531 3434 2220 .module_src_\n+0001a620: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+0001a630: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001a640: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+0001a650: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+0001a7c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0001a830: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0001a840: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0001a850: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+0001a860: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming...\n+0001a9d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+0001aa40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0001aa50: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+0001aa60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001aa70: 7369 6d64 3c2f 7469 746c 653e 0a3c 7061 simd....<\n+0001ab70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001ab80: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001ab90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001aba0: 6772 6f6d 6163 735f 7062 6375 7469 6c20 gromacs_pbcutil \n+0001abb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n+0001abe0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0001abf0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+0001ac00: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+0001ac10: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util....<\n-0001ad00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001ad10: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-0001ad20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001ad30: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-0001ad40: 3e0a 3c67 2069 643d 2265 6467 6531 3635 >..\n-0001ad60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0001ad70: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-0001ad80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ad90: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0001ada0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0001ae40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-0001af30: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-0001af40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001af50: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware......\n-0001b0d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b0e0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-0001b0f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001b100: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n-0001b110: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001b120: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0001b130: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0001b140: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0001b150: 4d32 3639 332e 3435 2c2d 3438 312e 3036 M2693.45,-481.06\n-0001b160: 4332 3730 342e 3438 2c2d 3439 302e 3236 C2704.48,-490.26\n-0001b170: 2032 3731 372e 3231 2c2d 3530 342e 3338 2717.21,-504.38\n-0001b180: 2032 3732 352c 2d35 3138 2e39 3620 3237 2725,-518.96 27\n-0001b190: 3536 2e33 382c 2d35 3737 2e37 2032 3736 56.38,-577.7 276\n-0001b1a0: 322e 3138 2c2d 3635 382e 3234 2032 3735 2.18,-658.24 275\n-0001b1b0: 392e 352c 2d36 3937 2e31 3422 2f3e 0a3c 9.5,-697.14\"/>.<\n-0001b1c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001b1d0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001b1e0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001b1f0: 3237 3535 2e39 392c 2d36 3937 2e30 3820 2755.99,-697.08 \n-0001b200: 3237 3538 2e34 372c 2d37 3037 2e33 3820 2758.47,-707.38 \n-0001b210: 3237 3632 2e39 352c 2d36 3937 2e37 3820 2762.95,-697.78 \n-0001b220: 3237 3535 2e39 392c 2d36 3937 2e30 3822 2755.99,-697.08\"\n-0001b230: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001b240: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b250: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-0001b260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b270: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720 _utility -->.<g \n-0001b280: 6964 3d22 6564 6765 3136 3322 2063 6c61 id=\"edge163\" cla\n-0001b290: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001b2a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001b2b0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-0001b2c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001b2d0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n-0001b2e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001b2f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001b300: 2332 3832 6663 6322 2064 3d22 4d32 3637 #282fcc\" d=\"M267\n-0001b310: 342e 3439 2c2d 3435 352e 3838 4332 3637 4.49,-455.88C267\n-0001b320: 332e 3634 2c2d 3433 332e 3439 2032 3637 3.64,-433.49 267\n-0001b330: 322c 2d33 3835 2e34 2032 3637 322c 2d33 2,-385.4 2672,-3\n-0001b340: 3434 2e37 3920 3236 3732 2c2d 3334 342e 44.79 2672,-344.\n-0001b350: 3739 2032 3637 322c 2d33 3434 2e37 3920 79 2672,-344.79 \n-0001b360: 3236 3732 2c2d 3237 392e 3932 2032 3637 2672,-279.92 267\n-0001b370: 322c 2d31 3830 2e37 3620 3235 3539 2e33 2,-180.76 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353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001b470: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n-0001b480: 6720 2d2d 3e0a 3c67 2069 643d 2265 6467 g -->.<g id=\"edg\n-0001b490: 6531 3636 2220 636c 6173 733d 2265 6467 e166\" class=\"edg\n-0001b4a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001b4b0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-0001b4c0: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n-0001b4d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001b4e0: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming....\n-0001b5d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-0001b7e0: 3c67 2069 643d 2265 6467 6531 3731 2220 .module_src_\n-0001b810: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-0001b820: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001b830: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n-0001b840: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-0001b8b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-0001b980: 7372 635f 6772 6f6d 6163 735f 656e 6572 src_gromacs_ener\n-0001b990: 6779 616e 616c 7973 6973 3c2f 7469 746c gyanalysis</titl\n-0001b9a0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n-0001b9b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-0001b9c0: 653d 2262 6c61 636b 2220 6378 3d22 3835 e=\"black\" cx=\"85\n-0001b9d0: 3422 2063 793d 222d 3137 3839 2e38 2220 4\" cy=\"-1789.8\" \n-0001b9e0: 7278 3d22 3536 2e36 3422 2072 793d 2231 rx=\"56.64\" ry=\"1\n-0001b9f0: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-0001ba00: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-0001ba10: 6522 2078 3d22 3835 3422 2079 3d22 2d31 e\" x=\"854\" y=\"-1\n-0001ba20: 3738 372e 3322 2066 6f6e 742d 6661 6d69 787.3\" font-fami\n-0001ba30: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n-0001ba40: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n-0001ba50: 656e 6572 6779 616e 616c 7973 6973 3c2f energyanalysis</\n-0001ba60: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20 text>.</g>.<!-- \n-0001ba70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ba80: 6373 5f65 6e65 7267 7961 6e61 6c79 7369 cs_energyanalysi\n-0001ba90: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001baa0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0001bab0: 616e 6120 2d2d 3e0a 3c67 2069 643d 2265 ana -->.<g id=\"e\n-0001bac0: 6467 6531 3733 2220 636c 6173 733d 2265 dge173\" class=\"e\n-0001bad0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001bae0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001baf0: 656e 6572 6779 616e 616c 7973 6973 2623 energyanalysis&#\n-0001bb00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001bb10: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0001bb20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n-0001bc90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001bca0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n-0001bcb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001bcc0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n-0001bcd0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001bce0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001bcf0: 6266 6266 6266 2220 643d 224d 3334 3636 bfbfbf\" d=\"M3466\n-0001bd00: 2e35 322c 2d35 3433 2e32 3943 3334 3831 .52,-543.29C3481\n-0001bd10: 2e39 332c 2d35 3532 2e30 3920 3335 3033 .93,-552.09 3503\n-0001bd20: 2e38 372c 2d35 3636 2033 3532 302c 2d35 .87,-566 3520,-5\n-0001bd30: 3831 2e38 3320 3336 3130 2e38 2c2d 3637 81.83 3610.8,-67\n-0001bd40: 302e 3937 2033 3633 312c 2d37 3138 2e35 0.97 3631,-718.5\n-0001bd50: 2033 3633 312c 2d38 3435 2e37 3520 3336 3631,-845.75 36\n-0001bd60: 3331 2c2d 3931 302e 3632 2033 3633 312c 31,-910.62 3631,\n-0001bd70: 2d39 3130 2e36 3220 3336 3331 2c2d 3931 -910.62 3631,-91\n-0001bd80: 302e 3632 2033 3633 312c 2d31 3037 392e 0.62 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6163 odule_src_gromac\n-0001c130: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n-0001c140: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001c150: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology</t\n-0001c160: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001c170: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001c180: 2362 6662 6662 6622 2064 3d22 4d33 3435 #bfbfbf\" d=\"M345\n-0001c190: 322e 3036 2c2d 3534 3643 3334 3535 2e30 2.06,-546C3455.0\n-0001c1a0: 322c 2d35 3535 2e36 3920 3334 3538 2e38 2,-555.69 3458.8\n-0001c1b0: 372c 2d35 3639 2e34 3820 3334 3631 2c2d 7,-569.48 3461,-\n-0001c1c0: 3538 312e 3833 2033 3436 352e 3736 2c2d 581.83 3465.76,-\n-0001c1d0: 3630 392e 3435 2033 3436 332e 3738 2c2d 609.45 3463.78,-\n-0001c1e0: 3631 362e 3736 2033 3436 362c 2d36 3434 616.76 3466,-644\n-0001c1f0: 2e37 2033 3438 362e 3931 2c2d 3930 372e .7 3486.91,-907.\n-0001c200: 3633 2033 3635 302e 3034 2c2d 3130 3833 63 3650.04,-1083\n-0001c210: 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3e0a 3c2f 6,-1407.16\"/>.</\n-0001c300: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001c310: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-0001c320: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-0001c330: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-0001c340: 6e65 6172 616c 6765 6272 6120 2d2d 3e0a nearalgebra -->.\n-0001c350: 3c67 2069 643d 2265 6467 6531 3832 2220 <g id=\"edge182\" \n-0001c360: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0001c370: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0001c380: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n-0001c390: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c3a0: 7263 5f67 726f 6d61 6373 5f6c 696e 6561 rc_gromacs_linea\n-0001c3b0: 7261 6c67 6562 7261 3c2f 7469 746c 653e ralgebra\n-0001c3c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-0001c4a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0001c510: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0001c580: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c590: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-0001c5a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c5b0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n-0001c5c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001c5d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0001c5e0: 6662 6662 6622 2064 3d22 4d33 3431 372e fbfbf\" d=\"M3417.\n-0001c5f0: 3338 2c2d 3533 352e 3032 4333 3234 392e 38,-535.02C3249.\n-0001c600: 322c 2d35 3433 2e36 3120 3234 3339 2e37 2,-543.61 2439.7\n-0001c610: 372c 2d35 3833 2e35 3720 3232 3533 2e33 7,-583.57 2253.3\n-0001c620: 312c 2d35 3932 2e35 222f 3e0a 3c70 6f6c 1,-592.5\"/>.<pol\n-0001c630: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-0001c640: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-0001c650: 6662 6622 2070 6f69 6e74 733d 2232 3235 fbf\" points=\"225\n-0001c660: 322e 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2334 353b 2667 743b pulling->\n-0001c920: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c930: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n-0001c940: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c950: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0001c960: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-0001c970: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001c980: 3334 3334 2e32 312c 2d35 3434 2e36 3543 3434.21,-544.65C\n-0001c990: 3333 3933 2e39 2c2d 3537 312e 3632 2033 3393.9,-571.62 3\n-0001c9a0: 3237 342e 3339 2c2d 3634 3020 3331 3635 274.39,-640 3165\n-0001c9b0: 2c2d 3637 312e 3537 2033 3033 362e 3739 ,-671.57 3036.79\n-0001c9c0: 2c2d 3730 382e 3537 2032 3837 372e 3639 ,-708.57 2877.69\n-0001c9d0: 2c2d 3731 372e 3333 2032 3830 302e 3333 ,-717.33 2800.33\n-0001c9e0: 2c2d 3731 392e 3339 222f 3e0a 3c70 6f6c ,-719.39\"/>.<pol\n-0001c9f0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-0001ca00: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-0001ca10: 6663 6322 2070 6f69 6e74 733d 2232 3739 fcc\" points=\"279\n-0001ca20: 392e 3838 2c2d 3731 352e 3920 3237 3839 9.88,-715.9 2789\n-0001ca30: 2e39 372c 2d37 3139 2e36 3320 3238 3030 .97,-719.63 2800\n-0001ca40: 2e30 352c 2d37 3232 2e38 3920 3237 3939 .05,-722.89 2799\n-0001ca50: 2e38 382c 2d37 3135 2e39 222f 3e0a 3c2f .88,-715.9\"/>.</\n-0001ca60: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001ca70: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-0001ca80: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-0001ca90: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0001caa0: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67 mmandline -->.<g\n-0001cab0: 2069 643d 2265 6467 6531 3738 2220 636c id=\"edge178\" cl\n-0001cac0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001cad0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001cae0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n-0001caf0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001cb00: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-0001cb10: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line....<\n-0001ccd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001cce0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-0001ccf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001cd00: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-0001cd10: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->..modul\n-0001cd40: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-0001cd50: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-0001cd60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001cd70: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n-0001cd80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0001cea0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n-0001cf10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001cf20: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-0001cf30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001cf40: 6f6d 6163 735f 7469 6d69 6e67 3c2f 7469 omacs_timing</ti\n-0001cf50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001cf60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001cf70: 6266 6266 6266 2220 643d 224d 3334 3331 bfbfbf\" d=\"M3431\n-0001cf80: 2e39 382c 2d35 3230 2e35 3743 3334 3037 .98,-520.57C3407\n-0001cf90: 2e37 372c 2d35 3034 2e36 2033 3336 302e .77,-504.6 3360.\n-0001cfa0: 3031 2c2d 3437 342e 3633 2033 3331 362c 01,-474.63 3316,\n-0001cfb0: 2d34 3536 2e30 3920 3332 3732 2e30 332c -456.09 3272.03,\n-0001cfc0: 2d34 3337 2e35 3620 3332 3138 2e37 342c -437.56 3218.74,\n-0001cfd0: 2d34 3233 2e36 2033 3138 332e 3931 2c2d -423.6 3183.91,-\n-0001cfe0: 3431 352e 3534 222f 3e0a 3c70 6f6c 7967 415.54\"/>.<polyg\n-0001cff0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0001d000: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0001d010: 6622 2070 6f69 6e74 733d 2233 3138 342e f\" points=\"3184.\n-0001d020: 3235 2c2d 3431 322e 3033 2033 3137 332e 25,-412.03 3173.\n-0001d030: 3732 2c2d 3431 332e 3233 2033 3138 322e 72,-413.23 3182.\n-0001d040: 372c 2d34 3138 2e38 3520 3331 3834 2e32 7,-418.85 3184.2\n-0001d050: 352c 2d34 3132 2e30 3322 2f3e 0a3c 2f67 5,-412.03\"/>.</g\n-0001d060: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0001d070: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n-0001d080: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n-0001d090: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0001d0a0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67 unutility -->.<g\n-0001d0b0: 2069 643d 2265 6467 6531 3830 2220 636c id=\"edge180\" cl\n-0001d0c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001d0d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001d0e0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n-0001d0f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001d100: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0001d110: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......module_\n-0001d2e0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-0001d2f0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-0001d300: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-0001d310: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n-0001d320: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001d330: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001d340: 2220 643d 224d 3334 3138 2e34 362c 2d35 \" d=\"M3418.46,-5\n-0001d350: 3237 2e37 3943 3333 3139 2e34 342c 2d35 27.79C3319.44,-5\n-0001d360: 3135 2e38 3120 3239 3930 2e31 382c 2d34 15.81 2990.18,-4\n-0001d370: 3736 2e39 3820 3237 3137 2c2d 3435 362e 76.98 2717,-456.\n-0001d380: 3039 2032 3335 392e 3236 2c2d 3432 382e 09 2359.26,-428.\n-0001d390: 3733 2031 3932 352e 3931 2c2d 3431 332e 73 1925.91,-413.\n-0001d3a0: 3335 2031 3739 312e 3038 2c2d 3430 382e 35 1791.08,-408.\n-0001d3b0: 3937 222f 3e0a 3c70 6f6c 7967 6f6e 2066 97\"/>.....module_\n-0001d4a0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0001d4b0: 6563 746f 7279 2623 3435 3b26 6774 3b6d ectory->m\n-0001d4c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d4d0: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n-0001d4e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001d4f0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001d500: 2220 643d 224d 3431 312e 3034 2c2d 3333 \" d=\"M411.04,-33\n-0001d510: 302e 3037 4334 3137 2e34 332c 2d32 3930 0.07C417.43,-290\n-0001d520: 2e32 2034 3337 2e31 352c 2d31 3637 2e32 .2 437.15,-167.2\n-0001d530: 3420 3434 352e 3335 2c2d 3131 362e 3034 4 445.35,-116.04\n-0001d540: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....module_\n-0001d630: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0001d640: 6563 746f 7279 2623 3435 3b26 6774 3b6d ectory->m\n-0001d650: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d660: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n-0001d670: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001d680: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001d690: 6266 6266 2220 643d 224d 3430 332e 3537 bfbf\" d=\"M403.57\n-0001d6a0: 2c2d 3335 372e 3136 4333 3934 2e34 342c ,-357.16C394.44,\n-0001d6b0: 2d33 3739 2e31 3320 3337 372c 2d34 3236 -379.13 377,-426\n-0001d6c0: 2e35 3920 3337 372c 2d34 3638 2e35 3320 .59 377,-468.53 \n-0001d6d0: 3337 372c 2d35 3333 2e34 2033 3737 2c2d 377,-533.4 377,-\n-0001d6e0: 3533 332e 3420 3337 372c 2d35 3333 2e34 533.4 377,-533.4\n-0001d6f0: 2033 3737 2c2d 3538 322e 3931 2033 3733 377,-582.91 373\n-0001d700: 2e37 2c2d 3539 352e 3231 2033 3732 2c2d .7,-595.21 372,-\n-0001d710: 3634 342e 3720 3337 312e 3735 2c2d 3635 644.7 371.75,-65\n-0001d720: 322e 3036 2033 3535 2e32 362c 2d31 3136 2.06 355.26,-116\n-0001d730: 382e 3920 3336 302c 2d31 3137 342e 3533 8.9 360,-1174.53\n-0001d740: 2034 3039 2e30 342c 2d31 3233 322e 3838 409.04,-1232.88\n-0001d750: 2031 3538 332e 3935 2c2d 3133 3736 2e37 1583.95,-1376.7\n-0001d760: 3720 3138 3239 2e33 332c 2d31 3430 362e 7 1829.33,-1406.\n-0001d770: 3235 222f 3e0a 3c70 6f6c 7967 6f6e 2066 25\"/>.<polygon f\n-0001d780: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0001d790: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0001d7a0: 6f69 6e74 733d 2231 3832 382e 3938 2c2d oints=\"1828.98,-\n-0001d7b0: 3134 3039 2e37 3320 3138 3339 2e33 332c 1409.73 1839.33,\n-0001d7c0: 2d31 3430 372e 3435 2031 3832 392e 3831 -1407.45 1829.81\n-0001d7d0: 2c2d 3134 3032 2e37 3820 3138 3238 2e39 ,-1402.78 1828.9\n-0001d7e0: 382c 2d31 3430 392e 3733 222f 3e0a 3c2f 8,-1409.73\"/>.</\n-0001d7f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001d800: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-0001d810: 6374 6f72 7926 2334 353b 2667 743b 6d6f ctory->mo\n-0001d820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d830: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720 _utility -->.<g \n-0001d840: 6964 3d22 6564 6765 3138 3622 2063 6c61 id=\"edge186\" cla\n-0001d850: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001d860: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001d870: 6d61 6373 5f74 7261 6a65 6374 6f72 7926 macs_trajectory&\n-0001d880: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001d890: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0001d8a0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty....\n-0001dbc0: 0a3c 6720 6964 3d22 6564 6765 3139 3122 ..<\n-0001dbe0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001dbf0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-0001dc00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001dc10: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-0001dc20: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es..\n-0001dd70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module\n-0001de60: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-0001de70: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-0001de80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001de90: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-0001dea0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-0001df80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-0001dff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e000: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-0001e010: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e020: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-0001e030: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001e040: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001e050: 6662 6622 2064 3d22 4d32 3735 332e 3439 fbf\" d=\"M2753.49\n-0001e060: 2c2d 3733 342e 3537 4332 3735 322e 3537 ,-734.57C2752.57\n-0001e070: 2c2d 3734 392e 3737 2032 3735 302e 3033 ,-749.77 2750.03\n-0001e080: 2c2d 3737 352e 3938 2032 3734 332c 2d37 ,-775.98 2743,-7\n-0001e090: 3937 2e33 3120 3236 3831 2e31 382c 2d39 97.31 2681.18,-9\n-0001e0a0: 3834 2e39 3120 3236 3535 2e33 382c 2d31 84.91 2655.38,-1\n-0001e0b0: 3034 332e 3032 2032 3530 382c 2d31 3137 043.02 2508,-117\n-0001e0c0: 342e 3533 2032 3439 322e 3239 2c2d 3131 4.53 2492.29,-11\n-0001e0d0: 3838 2e35 3520 3234 3731 2e38 392c 2d31 88.55 2471.89,-1\n-0001e0e0: 3230 302e 3532 2032 3435 352e 3235 2c2d 200.52 2455.25,-\n-0001e0f0: 3132 3039 2e30 3522 2f3e 0a3c 706f 6c79 1209.05\"/>.<poly\n-0001e100: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-0001e110: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-0001e120: 6266 2220 706f 696e 7473 3d22 3234 3533 bf\" points=\"2453\n-0001e130: 2e33 352c 2d31 3230 362e 3039 2032 3434 .35,-1206.09 244\n-0001e140: 352e 3935 2c2d 3132 3133 2e36 3720 3234 5.95,-1213.67 24\n-0001e150: 3536 2e34 362c 2d31 3231 322e 3336 2032 56.46,-1212.36 2\n-0001e160: 3435 332e 3335 2c2d 3132 3036 2e30 3922 453.35,-1206.09\"\n-0001e170: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001e180: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e190: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-0001e1a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e1b0: 735f 6c69 7374 6564 5f66 6f72 6365 7320 s_listed_forces \n-0001e1c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-0001e1d0: 3036 2220 636c 6173 733d 2265 6467 6522 06\" class=\"edge\"\n-0001e1e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001e1f0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001e200: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-0001e210: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-0001e220: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n-0001e230: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001e240: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001e250: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0001e260: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0001e270: 224d 3237 3835 2e32 392c 2d37 3237 2e38 \"M2785.29,-727.8\n-0001e280: 3843 3237 3934 2e33 362c 2d37 3330 2e30 8C2794.36,-730.0\n-0001e290: 3220 3238 3034 2e31 312c 2d37 3332 2e34 2 2804.11,-732.4\n-0001e2a0: 2032 3831 332c 2d37 3334 2e34 3420 3238 2813,-734.44 28\n-0001e2b0: 3839 2e31 332c 2d37 3531 2e38 3720 3239 89.13,-751.87 29\n-0001e2c0: 3335 2e37 362c 2d37 3039 2e38 3220 3239 35.76,-709.82 29\n-0001e2d0: 3835 2c2d 3737 302e 3434 2033 3032 302e 85,-770.44 3020.\n-0001e2e0: 3737 2c2d 3831 342e 3438 2032 3937 332e 77,-814.48 2973.\n-0001e2f0: 3939 2c2d 3834 302e 3532 2032 3936 332c 99,-840.52 2963,\n-0001e300: 2d38 3936 2e31 3820 3239 3539 2e34 382c 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6f67 7920 2d2d 3e0a 3c67 2069 643d ology -->.<g id=\n-0001e400: 2265 6467 6531 3933 2220 636c 6173 733d \"edge193\" class=\n-0001e410: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001e420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e430: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001e440: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001e450: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n-0001e460: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001e470: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001e480: 6266 6266 6266 2220 643d 224d 3237 3837 bfbfbf\" d=\"M2787\n-0001e490: 2e31 352c 2d37 3236 2e34 3543 3238 3332 .15,-726.45C2832\n-0001e4a0: 2e37 322c 2d37 3333 2e33 3220 3239 3131 .72,-733.32 2911\n-0001e4b0: 2e30 322c 2d37 3438 2e30 3920 3239 3238 .02,-748.09 2928\n-0001e4c0: 2c2d 3737 302e 3434 2032 3934 352e 3332 ,-770.44 2945.32\n-0001e4d0: 2c2d 3739 332e 3234 2032 3932 342e 3239 ,-793.24 2924.29\n-0001e4e0: 2c2d 3830 362e 3620 3239 3134 2c2d 3833 ,-806.6 2914,-83\n-0001e4f0: 332e 3331 2032 3839 322e 3439 2c2d 3838 3.31 2892.49,-88\n-0001e500: 392e 3133 2032 3838 302e 332c 2d39 3030 9.13 2880.3,-900\n-0001e510: 2e39 3720 3238 3636 2c2d 3935 392e 3035 .97 2866,-959.05\n-0001e520: 2032 3834 322e 3635 2c2d 3130 3533 2e39 2842.65,-1053.9\n-0001e530: 2032 3836 362e 3938 2c2d 3133 3132 2e39 2866.98,-1312.9\n-0001e540: 3420 3237 3936 2c2d 3133 3633 2e31 3420 4 2796,-1363.14 \n-0001e550: 3237 3234 2e33 352c 2d31 3431 332e 3832 2724.35,-1413.82\n-0001e560: 2032 3130 302e 3437 2c2d 3134 3133 2e32 2100.47,-1413.2\n-0001e570: 3420 3139 3231 2e36 392c 2d31 3431 322e 4 1921.69,-1412.\n-0001e580: 3031 222f 3e0a 3c70 6f6c 7967 6f6e 2066 01\"/>.<polygon f\n-0001e590: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0001e5a0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0001e5b0: 6f69 6e74 733d 2231 3932 312e 3537 2c2d oints=\"1921.57,-\n-0001e5c0: 3134 3038 2e35 3120 3139 3131 2e35 352c 1408.51 1911.55,\n-0001e5d0: 2d31 3431 312e 3934 2031 3932 312e 3532 -1411.94 1921.52\n-0001e5e0: 2c2d 3134 3135 2e35 3120 3139 3231 2e35 ,-1415.51 1921.5\n-0001e5f0: 372c 2d31 3430 382e 3531 222f 3e0a 3c2f 7,-1408.51\"/>.</\n-0001e600: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001e610: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001e620: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-0001e630: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0001e640: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n-0001e650: 6765 3230 3022 2063 6c61 7373 3d22 6564 ge200\" class=\"ed\n-0001e660: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001e670: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-0001e680: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-0001e690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e6a0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-0001e6b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001e6c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001e6d0: 2220 643d 224d 3237 3138 2e39 2c2d 3731 \" d=\"M2718.9,-71\n-0001e6e0: 372e 3643 3236 3231 2e31 2c2d 3731 302e 7.6C2621.1,-710.\n-0001e6f0: 3238 2032 3335 312e 3235 2c2d 3638 372e 28 2351.25,-687.\n-0001e700: 3831 2032 3331 352c 2d36 3731 2e35 3720 81 2315,-671.57 \n-0001e710: 3232 3938 2e36 372c 2d36 3634 2e32 3520 2298.67,-664.25 \n-0001e720: 3232 3939 2e33 352c 2d36 3535 2e33 3920 2299.35,-655.39 \n-0001e730: 3232 3835 2c2d 3634 342e 3720 3232 3639 2285,-644.7 2269\n-0001e740: 2e33 342c 2d36 3333 2e30 3320 3232 3530 .34,-633.03 2250\n-0001e750: 2e37 362c 2d36 3231 2e35 3420 3232 3336 .76,-621.54 2236\n-0001e760: 2e35 322c 2d36 3132 2e36 3822 2f3e 0a3c .52,-612.68\"/>.<\n-0001e770: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001e780: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001e790: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001e7a0: 3232 3338 2e31 392c 2d36 3039 2e36 2032 2238.19,-609.6 2\n-0001e7b0: 3232 372e 3836 2c2d 3630 372e 3236 2032 227.86,-607.26 2\n-0001e7c0: 3233 342e 3438 2c2d 3631 352e 3533 2032 234.48,-615.53 2\n-0001e7d0: 3233 382e 3139 2c2d 3630 392e 3622 2f3e 238.19,-609.6\"/>\n-0001e7e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n-0001e860: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-0001e870: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e880: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-0001e890: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n-0001e9a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-0001ea10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001ea20: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001ea30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001ea40: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n-0001ea50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001ea60: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001ea70: 6266 6266 2220 643d 224d 3237 3531 2e39 bfbf\" d=\"M2751.9\n-0001ea80: 312c 2d37 3334 2e36 3843 3237 3439 2e31 1,-734.68C2749.1\n-0001ea90: 2c2d 3734 392e 3939 2032 3734 332e 3335 ,-749.99 2743.35\n-0001eaa0: 2c2d 3737 362e 3320 3237 3334 2c2d 3739 ,-776.3 2734,-79\n-0001eab0: 372e 3331 2032 3732 302e 3434 2c2d 3832 7.31 2720.44,-82\n-0001eac0: 372e 3739 2032 3731 332e 3236 2c2d 3833 7.79 2713.26,-83\n-0001ead0: 332e 3638 2032 3639 332c 2d38 3630 2e31 3.68 2693,-860.1\n-0001eae0: 3820 3236 3730 2e32 372c 2d38 3839 2e39 8 2670.27,-889.9\n-0001eaf0: 3120 3236 3634 2e39 312c 2d38 3938 2e31 1 2664.91,-898.1\n-0001eb00: 3220 3236 3337 2c2d 3932 332e 3035 2032 2 2637,-923.05 2\n-0001eb10: 3630 302e 3838 2c2d 3935 352e 3331 2032 600.88,-955.31 2\n-0001eb20: 3538 392e 312c 2d39 3630 2e33 3120 3235 589.1,-960.31 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2e30 372c 2d31 3039 362e 3638 1600.07,-1096.68\n-0001ec20: 2031 3631 302e 3134 2c2d 3130 3939 2e39 1610.14,-1099.9\n-0001ec30: 3620 3136 3039 2e39 392c 2d31 3039 322e 6 1609.99,-1092.\n-0001ec40: 3936 222f 3e0a 3c2f 673e 0a3c 212d 2d20 96\"/>.</g>.<!-- \n-0001ec50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ec60: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-0001ec70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001ec80: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c macs_nbnxm -->.<\n-0001ec90: 6720 6964 3d22 6564 6765 3230 3122 2063 g id=\"edge201\" c\n-0001eca0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001ecb0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001ecc0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001ecd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001ece0: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm</\n-0001ecf0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001ed00: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001ed10: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001ed20: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001ed30: 2064 3d22 4d32 3734 392e 3835 2c2d 3730 d=\"M2749.85,-70\n-0001ed40: 372e 3338 4332 3734 352e 3037 2c2d 3637 7.38C2745.07,-67\n-0001ed50: 342e 3335 2032 3734 312e 3438 2c2d 3538 4.35 2741.48,-58\n-0001ed60: 332e 3520 3237 3037 2c2d 3531 382e 3936 3.5 2707,-518.96\n-0001ed70: 2032 3730 312e 3631 2c2d 3530 382e 3836 2701.61,-508.86\n-0001ed80: 2032 3639 332e 3834 2c2d 3439 382e 3938 2693.84,-498.98\n-0001ed90: 2032 3638 372e 3131 2c2d 3439 302e 3831 2687.11,-490.81\n-0001eda0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001edb0: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0001edc0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0001edd0: 6e74 733d 2232 3638 392e 3639 2c2d 3438 nts=\"2689.69,-48\n-0001ede0: 382e 3434 2032 3638 302e 3632 2c2d 3438 8.44 2680.62,-48\n-0001edf0: 322e 3937 2032 3638 342e 332c 2d34 3932 2.97 2684.3,-492\n-0001ee00: 2e39 2032 3638 392e 3639 2c2d 3438 382e .9 2689.69,-488.\n-0001ee10: 3434 222f 3e0a 3c2f 673e 0a3c 212d 2d20 44\"/>.</g>.<!-- \n-0001ee20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ee30: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-0001ee40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001ee50: 6d61 6373 5f70 756c 6c69 6e67 202d 2d3e macs_pulling -->\n-0001ee60: 0a3c 6720 6964 3d22 6564 6765 3230 3222 .<g id=\"edge202\"\n-0001ee70: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001ee80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001ee90: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-0001eea0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001eeb0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-0001eec0: 6e67 3c2f 7469 746c 653e 0a3c 7061 7468 ng....<\n-0001eff0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f000: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001f010: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001f020: 5f67 726f 6d61 6373 5f65 7761 6c64 202d _gromacs_ewald -\n-0001f030: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139 ->.\n-0001f050: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0001f060: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001f070: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-0001f080: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0001f090: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld.....\n-0001f1e0: 3c67 2069 643d 2265 6467 6531 3934 2220 .module_src_\n-0001f210: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-0001f220: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001f230: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-0001f240: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....<\n-0001f3d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f3e0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001f3f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001f400: 5f67 726f 6d61 6373 5f74 696d 696e 6720 _gromacs_timing \n-0001f410: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n-0001f440: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001f450: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-0001f460: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n-0001f470: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming..<\n-0001f540: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001f550: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001f560: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001f570: 3331 3339 2e30 362c 2d34 3330 2e34 3520 3139.06,-430.45 \n-0001f580: 3331 3430 2e35 362c 2d34 3139 2e39 3620 3140.56,-419.96 \n-0001f590: 3331 3332 2e38 352c 2d34 3237 2e32 3320 3132.85,-427.23 \n-0001f5a0: 3331 3339 2e30 362c 2d34 3330 2e34 3522 3139.06,-430.45\"\n-0001f5b0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_grom\n-0001f630: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-0001f640: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f650: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974 omacs_mdrun..\n-0001f710: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n-0001f7f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f800: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-0001f810: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f820: 6d61 6373 5f69 6d64 3c2f 7469 746c 653e macs_imd\n-0001f830: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-0001f970: 0a3c 6720 6964 3d22 6564 6765 3139 3222 ..<\n-0001f990: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001f9a0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-0001f9b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001f9c0: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n-0001f9d0: 696c 3c2f 7469 746c 653e 0a3c 7061 7468 il..\n-0001fa70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-0001fb60: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-0001fb70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001fb80: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74 romacs_compat.....\n-0001fd10: 3c67 2069 643d 2265 6467 6532 3038 2220 .module_src_\n-0001fd40: 6772 6f6d 6163 735f 6666 7426 2334 353b gromacs_fft-\n-0001fd50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001fd60: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-0001fd70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-0001fea0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001feb0: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n-0001fec0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001fed0: 6f6d 6163 735f 6d61 7468 202d 2d3e 0a3c omacs_math -->.<\n-0001fee0: 6720 6964 3d22 6564 6765 3230 3922 2063 g id=\"edge209\" c\n-0001fef0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001ff10: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n-0001ff20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ff30: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math....\n-00020090: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n-00020310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00020320: 5f66 6674 2623 3435 3b26 6774 3b6d 6f64 _fft->mod\n-00020330: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020340: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n-00020350: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00020360: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00020370: 2220 643d 224d 3133 3432 2e39 352c 2d34 \" d=\"M1342.95,-4\n-00020380: 3637 2e36 3343 3135 3437 2e38 392c 2d34 67.63C1547.89,-4\n-00020390: 3630 2e38 3220 3238 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6e20 6669 6c6c />.<polygon fill\n-00022160: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00022170: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-00022180: 7473 3d22 3234 3531 2e36 382c 2d31 3230 ts=\"2451.68,-120\n-00022190: 352e 3133 2032 3434 352e 3338 2c2d 3132 5.13 2445.38,-12\n-000221a0: 3133 2e36 3520 3234 3535 2e36 322c 2d31 13.65 2455.62,-1\n-000221b0: 3231 302e 3932 2032 3435 312e 3638 2c2d 210.92 2451.68,-\n-000221c0: 3132 3035 2e31 3322 2f3e 0a3c 2f67 3e0a 1205.13\"/>.</g>.\n-000221d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000221e0: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n-000221f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00022200: 5f67 726f 6d61 6373 5f6d 6174 6820 2d2d _gromacs_math --\n-00022210: 3e0a 3c67 2069 643d 2265 6467 6532 3236 >.<g id=\"edge226\n-00022220: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00022230: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00022240: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-00022250: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00022260: 7263 5f67 726f 6d61 6373 5f6d 6174 683c rc_gromacs_math<\n-00022270: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00022280: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00022290: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n-000222a0: 3437 312e 3937 2c2d 3533 302e 3832 4332 471.97,-530.82C2\n-000222b0: 3331 302e 3532 2c2d 3532 372e 3536 2031 310.52,-527.56 1\n-000222c0: 3532 312e 3735 2c2d 3531 302e 3433 2031 521.75,-510.43 1\n-000222d0: 3238 302c 2d34 3832 2e39 3620 3131 3330 280,-482.96 1130\n-000222e0: 2e33 352c 2d34 3635 2e39 3620 3130 3932 .35,-465.96 1092\n-000222f0: 2e31 372c 2d34 3630 2e32 3120 3934 372c .17,-460.21 947,\n-00022300: 2d34 3230 2e30 3920 3931 332e 3638 2c2d -420.09 913.68,-\n-00022310: 3431 302e 3838 2039 3036 2e34 372c 2d34 410.88 906.47,-4\n-00022320: 3035 2e31 2038 3734 2c2d 3339 332e 3232 05.1 874,-393.22\n-00022330: 2038 3330 2e30 332c 2d33 3737 2e31 3320 830.03,-377.13 \n-00022340: 3831 372e 3636 2c2d 3337 362e 3520 3737 817.66,-376.5 77\n-00022350: 352c 2d33 3537 2e32 3220 3732 312e 3932 5,-357.22 721.92\n-00022360: 2c2d 3333 332e 3233 2037 3039 2c2d 3332 ,-333.23 709,-32\n-00022370: 352e 3835 2036 3630 2c2d 3239 342e 3335 5.85 660,-294.35\n-00022380: 2036 3230 2e37 382c 2d32 3639 2e31 3320 620.78,-269.13 \n-00022390: 3631 312e 3134 2c2d 3236 322e 3134 2035 611.14,-262.14 5\n-000223a0: 3736 2c2d 3233 312e 3438 2035 3436 2e34 76,-231.48 546.4\n-000223b0: 332c 2d32 3035 2e36 3820 3533 392e 3535 3,-205.68 539.55\n-000223c0: 2c2d 3139 382e 3339 2035 3134 2c2d 3136 ,-198.39 514,-16\n-000223d0: 382e 3631 2035 3034 2e33 312c 2d31 3537 8.61 504.31,-157\n-000223e0: 2e33 3120 3530 332e 3533 2c2d 3135 332e .31 503.53,-153.\n-000223f0: 3138 2034 3934 2c2d 3134 312e 3734 2034 18 494,-141.74 4\n-00022400: 3835 2e36 382c 2d31 3331 2e37 3420 3437 85.68,-131.74 47\n-00022410: 352e 3931 2c2d 3132 312e 3131 2034 3637 5.91,-121.11 467\n-00022420: 2e36 2c2d 3131 322e 3336 222f 3e0a 3c70 .6,-112.36\"/>.<p\n-00022430: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00022440: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00022450: 6662 6662 6622 2070 6f69 6e74 733d 2234 fbfbf\" points=\"4\n-00022460: 3639 2e39 322c 2d31 3039 2e37 3120 3436 69.92,-109.71 46\n-00022470: 302e 3437 2c2d 3130 342e 3932 2034 3634 0.47,-104.92 464\n-00022480: 2e38 362c 2d31 3134 2e35 3620 3436 392e .86,-114.56 469.\n-00022490: 3932 2c2d 3130 392e 3731 222f 3e0a 3c2f 92,-109.71\"/>.</\n-000224a0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-000224b0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-000224c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000224d0: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-000224e0: 6c6f 6779 202d 2d3e 0a3c 6720 6964 3d22 logy -->.<g id=\"\n-000224f0: 6564 6765 3233 3622 2063 6c61 7373 3d22 edge236\" class=\"\n-00022500: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00022510: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022520: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n-00022530: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022540: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n-00022550: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00022560: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00022570: 6266 6266 2220 643d 224d 3234 3937 2e36 bfbf\" d=\"M2497.6\n-00022580: 352c 2d35 3436 2e30 3343 3234 3935 2e32 5,-546.03C2495.2\n-00022590: 362c 2d35 3535 2e37 3420 3234 3932 2e32 6,-555.74 2492.2\n-000225a0: 362c 2d35 3639 2e35 3320 3234 3931 2c2d 6,-569.53 2491,-\n-000225b0: 3538 312e 3833 2032 3438 392e 3739 2c2d 581.83 2489.79,-\n-000225c0: 3539 332e 3731 2032 3439 302e 3234 2c2d 593.71 2490.24,-\n-000225d0: 3539 362e 3738 2032 3439 312c 2d36 3038 596.78 2491,-608\n-000225e0: 2e37 2032 3439 392e 3931 2c2d 3734 392e .7 2499.91,-749.\n-000225f0: 3236 2032 3438 352e 3732 2c2d 3738 392e 26 2485.72,-789.\n-00022600: 3639 2032 3533 312c 2d39 3233 2e30 3520 69 2531,-923.05 \n-00022610: 3235 3333 2e39 2c2d 3933 312e 3539 2032 2533.9,-931.59 2\n-00022620: 3737 352e 3138 2c2d 3131 3833 2e34 3820 775.18,-1183.48 \n-00022630: 3236 3631 2c2d 3133 3030 2e32 3720 3235 2661,-1300.27 25\n-00022640: 3537 2e36 322c 2d31 3430 362e 3031 2032 57.62,-1406.01 2\n-00022650: 3037 352e 3732 2c2d 3134 3132 2e37 3120 075.72,-1412.71 \n-00022660: 3139 3231 2e35 362c 2d31 3431 322e 3039 1921.56,-1412.09\n-00022670: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00022680: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00022690: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-000226a0: 6e74 733d 2231 3932 312e 3438 2c2d 3134 nts=\"1921.48,-14\n-000226b0: 3038 2e35 3920 3139 3131 2e34 362c 2d31 08.59 1911.46,-1\n-000226c0: 3431 322e 3034 2031 3932 312e 3434 2c2d 412.04 1921.44,-\n-000226d0: 3134 3135 2e35 3920 3139 3231 2e34 382c 1415.59 1921.48,\n-000226e0: 2d31 3430 382e 3539 222f 3e0a 3c2f 673e -1408.59\"/>.</g>\n-000226f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00022700: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n-00022710: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00022720: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n-00022730: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-00022740: 3331 2220 636c 6173 733d 2265 6467 6522 31\" class=\"edge\"\n-00022750: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00022760: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-00022770: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-00022780: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00022790: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......module_src_gr\n-000228f0: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00022900: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00022910: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-00022920: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module\n-00022ac0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-00022ad0: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n-00022ae0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-00022af0: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm...<\n-00022bf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00022c60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022c70: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n-00022c80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022c90: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-00022ca0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00022dc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00022e30: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00022e40: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n-00022e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00022e60: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft.\n-00022ed0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-00022f40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00022fb0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00022fc0: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n-00022fd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00022fe0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-00022ff0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00023000: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00023010: 2220 643d 224d 3234 3839 2e39 372c 2d35 \" d=\"M2489.97,-5\n-00023020: 3139 2e38 3343 3234 3731 2e34 332c 2d34 19.83C2471.43,-4\n-00023030: 3939 2e31 3120 3234 3336 2c2d 3435 332e 99.11 2436,-453.\n-00023040: 3532 2032 3433 362c 2d34 3037 2e36 3620 52 2436,-407.66 \n-00023050: 3234 3336 2c2d 3430 372e 3636 2032 3433 2436,-407.66 243\n-00023060: 362c 2d34 3037 2e36 3620 3234 3336 2c2d 6,-407.66 2436,-\n-00023070: 3237 392e 3932 2032 3433 362c 2d31 3537 279.92 2436,-157\n-00023080: 2e31 2031 3435 322e 3637 2c2d 3135 342e .1 1452.67,-154.\n-00023090: 3938 2031 3234 342e 3435 2c2d 3135 352e 98 1244.45,-155.\n-000230a0: 3931 222f 3e0a 3c70 6f6c 7967 6f6e 2066 91\"/>.....\n-00023180: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00023190: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-000231a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000231b0: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n-000231c0: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g..<\n-00023260: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00023270: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00023280: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00023290: 3331 3133 2e30 392c 2d34 3230 2e34 3420 3113.09,-420.44 \n-000232a0: 3331 3231 2e38 352c 2d34 3134 2e34 3820 3121.85,-414.48 \n-000232b0: 3331 3131 2e32 392c 2d34 3133 2e36 3720 3111.29,-413.67 \n-000232c0: 3331 3133 2e30 392c 2d34 3230 2e34 3422 3113.09,-420.44\"\n-000232d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....m\n-00023340: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023350: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n-00023360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00023370: 6373 5f73 696d 643c 2f74 6974 6c65 3e0a cs_simd.\n-00023380: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-00023560: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00023570: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-00023580: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023590: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-000235a0: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til....\n-00023700: 0a3c 6720 6964 3d22 6564 6765 3233 3822 ..<\n-00023720: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00023730: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00023740: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023750: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00023760: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes..\n-000238e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n-000239d0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n-000239e0: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n-000239f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00023a00: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-00023a10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n-00023ba0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00023bb0: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n-00023bc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023bd0: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n-00023be0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00023bf0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00023c00: 2220 643d 224d 3131 3738 2e31 382c 2d31 \" d=\"M1178.18,-1\n-00023c10: 3532 2e31 3543 3130 3632 2e31 312c 2d31 52.15C1062.11,-1\n-00023c20: 3433 2e32 3420 3631 372e 3337 2c2d 3130 43.24 617.37,-10\n-00023c30: 372e 3520 3438 352e 3739 2c2d 3936 2e35 7.5 485.79,-96.5\n-00023c40: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>...\n-00023cb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-00023d20: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-00023d30: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-00023d40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023d50: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n-00023d60: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n+0001ad60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ad70: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+0001ad80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d 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3132 3232 2e36 372c 2d35 3635 2e30 3920 1222.67,-565.09 \n+0001ae80: 3132 3031 2c2d 3538 312e 3833 2031 3133 1201,-581.83 113\n+0001ae90: 322e 3135 2c2d 3633 3520 3131 3132 2e39 2.15,-635 1112.9\n+0001aea0: 362c 2d36 3436 2e35 2031 3035 312c 2d37 6,-646.5 1051,-7\n+0001aeb0: 3037 2e35 3720 3130 3234 2e35 362c 2d37 07.57 1024.56,-7\n+0001aec0: 3333 2e36 3320 3130 3133 2e38 352c 2d37 33.63 1013.85,-7\n+0001aed0: 3337 2e38 3920 3939 362c 2d37 3730 2e34 37.89 996,-770.4\n+0001aee0: 3420 3938 362e 382c 2d37 3837 2e32 3320 4 986.8,-787.23 \n+0001aef0: 3938 312e 3037 2c2d 3830 382e 3238 2039 981.07,-808.28 9\n+0001af00: 3736 2e32 382c 2d38 3233 2e38 3622 2f3e 76.28,-823.86\"/>\n+0001af10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001af20: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0001af30: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0001af40: 3d22 3937 322e 3836 2c2d 3832 332e 3035 =\"972.86,-823.05\n+0001af50: 2039 3733 2e30 392c 2d38 3333 2e36 3520 973.09,-833.65 \n+0001af60: 3937 392e 3532 2c2d 3832 352e 3233 2039 979.52,-825.23 9\n+0001af70: 3732 2e38 362c 2d38 3233 2e30 3522 2f3e 72.86,-823.05\"/>\n+0001af80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001af90: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0001afa0: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+0001afb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001afc0: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720 pu_utils -->.<g \n+0001afd0: 6964 3d22 6564 6765 3134 3322 2063 6c61 id=\"edge143\" cla\n+0001afe0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001aff0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001b000: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+0001b010: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001b020: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+0001b030: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001b040: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001b050: 3d22 7265 6422 2064 3d22 4d31 3633 382e =\"red\" d=\"M1638.\n+0001b060: 372c 2d33 3537 2e36 4331 3634 332e 3334 7,-357.6C1643.34\n+0001b070: 2c2d 3339 332e 3134 2031 3635 362e 3235 ,-393.14 1656.25\n+0001b080: 2c2d 3439 352e 3935 2031 3636 322c 2d35 ,-495.95 1662,-5\n+0001b090: 3831 2e38 3320 3136 3638 2e39 322c 2d36 81.83 1668.92,-6\n+0001b0a0: 3835 2e31 3620 3136 3330 2e31 382c 2d38 85.16 1630.18,-8\n+0001b0b0: 3430 2e36 3420 3136 3930 2c2d 3932 332e 40.64 1690,-923.\n+0001b0c0: 3035 2031 3734 362e 3236 2c2d 3130 3030 05 1746.26,-1000\n+0001b0d0: 2e35 3620 3137 3736 2e35 362c 2d31 3031 .56 1776.56,-101\n+0001b0e0: 322e 3033 2031 3836 352c 2d31 3034 382e 2.03 1865,-1048.\n+0001b0f0: 3739 2031 3930 382e 3237 2c2d 3130 3636 79 1908.27,-1066\n+0001b100: 2e37 3820 3230 3338 2e33 382c 2d31 3038 .78 2038.38,-108\n+0001b110: 332e 3820 3231 3039 2e30 362c 2d31 3039 3.8 2109.06,-109\n+0001b120: 322e 3035 222f 3e0a 3c70 6f6c 7967 6f6e 2.05\"/>.<polygon\n+0001b130: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+0001b140: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+0001b150: 2232 3130 382e 3731 2c2d 3130 3935 2e35 \"2108.71,-1095.5\n+0001b160: 3320 3231 3139 2e30 342c 2d31 3039 332e 3 2119.04,-1093.\n+0001b170: 3220 3231 3039 2e35 312c 2d31 3038 382e 2 2109.51,-1088.\n+0001b180: 3537 2032 3130 382e 3731 2c2d 3130 3935 57 2108.71,-1095\n+0001b190: 2e35 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .53\"/>.</g>.<!--\n+0001b1a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001b1b0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+0001b1c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b1d0: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n+0001b1e0: 0a3c 6720 6964 3d22 6564 6765 3135 3222 .<g id=\"edge152\"\n+0001b1f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001b200: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001b210: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n+0001b220: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b230: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0001b240: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mo\n+0001b450: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b460: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+0001b470: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b480: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n+0001b490: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001b4a0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001b4b0: 2220 643d 224d 3136 3634 2e33 312c 2d33 \" d=\"M1664.31,-3\n+0001b4c0: 3339 2e31 3743 3137 3232 2e36 392c 2d33 39.17C1722.69,-3\n+0001b4d0: 3331 2e33 3820 3138 3633 2e39 2c2d 3331 31.38 1863.9,-31\n+0001b4e0: 322e 3331 2031 3938 322c 2d32 3934 2e33 2.31 1982,-294.3\n+0001b4f0: 3520 3231 3532 2e39 372c 2d32 3638 2e33 5 2152.97,-268.3\n+0001b500: 3620 3231 3935 2e37 372c 2d32 3632 2032 6 2195.77,-262 2\n+0001b510: 3336 362c 2d32 3331 2e34 3820 3236 3235 366,-231.48 2625\n+0001b520: 2e39 2c2d 3138 342e 3839 2032 3933 372e .9,-184.89 2937.\n+0001b530: 3838 2c2d 3132 312e 3437 2033 3034 302e 88,-121.47 3040.\n+0001b540: 3437 2c2d 3130 302e 3432 222f 3e0a 3c70 47,-100.42\"/>..\n+0001b5c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+0001b630: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b640: 6373 5f75 7469 6c69 7479 2623 3435 3b26 cs_utility-&\n+0001b650: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001b660: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469 omacs_compat</ti\n+0001b670: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001b680: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001b690: 3238 3266 6363 2220 643d 224d 3236 3936 282fcc\" d=\"M2696\n+0001b6a0: 2e38 2c2d 3131 3437 2e34 3243 3237 3032 .8,-1147.42C2702\n+0001b6b0: 2e36 362c 2d31 3130 332e 3335 2032 3731 .66,-1103.35 271\n+0001b6c0: 392e 3334 2c2d 3935 322e 3939 2032 3639 9.34,-952.99 269\n+0001b6d0: 332c 2d38 3333 2e33 3120 3236 3533 2e33 3,-833.31 2653.3\n+0001b6e0: 392c 2d36 3533 2e33 3520 3234 3935 2e35 9,-653.35 2495.5\n+0001b6f0: 372c 2d34 3832 2e30 3520 3234 3430 2e32 7,-482.05 2440.2\n+0001b700: 362c 2d34 3236 2e34 3322 2f3e 0a3c 706f 6,-426.43\"/>.<po\n+0001b710: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001b720: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001b730: 3266 6363 2220 706f 696e 7473 3d22 3234 2fcc\" points=\"24\n+0001b740: 3432 2e37 322c 2d34 3233 2e39 3420 3234 42.72,-423.94 24\n+0001b750: 3333 2e31 362c 2d34 3139 2e33 3620 3234 33.16,-419.36 24\n+0001b760: 3337 2e37 382c 2d34 3238 2e39 2032 3434 37.78,-428.9 244\n+0001b770: 322e 3732 2c2d 3432 332e 3934 222f 3e0a 2.72,-423.94\"/>.\n+0001b780: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001b790: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+0001b7a0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n+0001b7b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b7c0: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67 gpu_utils -->.<g\n+0001b7d0: 2069 643d 2265 6467 6531 3537 2220 636c id=\"edge157\" cl\n+0001b7e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001b7f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001b800: 6f6d 6163 735f 7574 696c 6974 7926 2334 omacs_utility\n+0001b810: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001b820: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+0001b830: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls..\n+0001b8c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n+0001b9b0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0001b9c0: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+0001b9d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001b9e0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0001b9f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001ba00: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001ba10: 2220 643d 224d 3236 3636 2e35 382c 2d31 \" d=\"M2666.58,-1\n+0001ba20: 3135 392e 3931 4332 3437 382e 3538 2c2d 159.91C2478.58,-\n+0001ba30: 3131 3538 2e35 3320 3134 3138 2e38 342c 1158.53 1418.84,\n+0001ba40: 2d31 3134 382e 3839 2031 3238 312c 2d31 -1148.89 1281,-1\n+0001ba50: 3131 312e 3636 2031 3235 362e 3634 2c2d 111.66 1256.64,-\n+0001ba60: 3131 3035 2e30 3820 3132 3534 2e34 362c 1105.08 1254.46,\n+0001ba70: 2d31 3039 342e 3037 2031 3233 312c 2d31 -1094.07 1231,-1\n+0001ba80: 3038 342e 3739 2031 3138 362e 3732 2c2d 084.79 1186.72,-\n+0001ba90: 3130 3637 2e32 3820 3131 3333 2e39 332c 1067.28 1133.93,\n+0001baa0: 2d31 3035 342e 3032 2031 3039 382e 3239 -1054.02 1098.29\n+0001bab0: 2c2d 3130 3435 2e38 3422 2f3e 0a3c 706f ,-1045.84\"/>.....module_src_gr\n+0001bbb0: 6f6d 6163 735f 7574 696c 6974 7926 2334 omacs_utility\n+0001bbc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001bbd0: 5f67 726f 6d61 6373 5f6d 6174 683c 2f74 _gromacs_math.....\n+0001be00: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001be10: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+0001be20: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+0001be30: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+0001be40: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...\n+0001c0a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+0001c110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001c120: 696d 696e 6726 2334 353b 2667 743b 6d6f iming->mo\n+0001c130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c140: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+0001c150: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+0001c2b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001c2c0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+0001c2d0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->..module_\n+0001c300: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0001c310: 7261 696e 743c 2f74 6974 6c65 3e0a 3c67 raint.<\n+0001c330: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+0001c340: 6f75 705f 5f6d 6f64 756c 655f 5f72 6573 oup__module__res\n+0001c350: 7472 6169 6e74 2e78 6874 6d6c 2220 7461 traint.xhtml\" ta\n+0001c360: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+0001c370: 6b3a 7469 746c 653d 2272 6573 7472 6169 k:title=\"restrai\n+0001c380: 6e74 223e 0a3c 656c 6c69 7073 6520 6669 nt\">..r\n+0001c430: 6573 7472 6169 6e74 3c2f 7465 7874 3e0a estraint.\n+0001c440: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+0001c450: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001c460: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+0001c470: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001c480: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001c490: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->..modu\n+0001c4c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+0001c4d0: 6573 7472 6169 6e74 2623 3435 3b26 6774 estraint->\n+0001c4e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001c4f0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n+0001c500: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001c510: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001c520: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001c530: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001c540: 4d34 3733 2e34 332c 2d34 3230 2e31 3243 M473.43,-420.12C\n+0001c550: 3437 342e 3536 2c2d 3434 342e 3638 2034 474.56,-444.68 4\n+0001c560: 3738 2e35 322c 2d35 3030 2e38 3320 3439 78.52,-500.83 49\n+0001c570: 322c 2d35 3435 2e38 3320 3533 322e 3033 2,-545.83 532.03\n+0001c580: 2c2d 3637 392e 3531 2035 3538 2e36 392c ,-679.51 558.69,\n+0001c590: 2d37 3238 2e33 3420 3638 302c 2d37 3937 -728.34 680,-797\n+0001c5a0: 2e33 3120 3934 312e 3831 2c2d 3934 362e .31 941.81,-946.\n+0001c5b0: 3135 2031 3331 362e 3837 2c2d 3936 382e 15 1316.87,-968.\n+0001c5c0: 3037 2031 3434 362e 3639 2c2d 3937 312e 07 1446.69,-971.\n+0001c5d0: 3039 222f 3e0a 3c70 6f6c 7967 6f6e 2066 09\"/>.<polygon f\n+0001c5e0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0001c5f0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0001c600: 6f69 6e74 733d 2231 3434 362e 3938 2c2d oints=\"1446.98,-\n+0001c610: 3937 342e 3620 3134 3537 2e30 352c 2d39 974.6 1457.05,-9\n+0001c620: 3731 2e33 2031 3434 372e 3133 2c2d 3936 71.3 1447.13,-96\n+0001c630: 372e 3620 3134 3436 2e39 382c 2d39 3734 7.6 1446.98,-974\n+0001c640: 2e36 222f 3e0a 3c2f 673e 0a3c 212d 2d20 .6\"/>.</g>.<!-- \n+0001c650: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c660: 6373 5f72 6573 7472 6169 6e74 2623 3435 cs_restraint-\n+0001c670: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001c680: 6772 6f6d 6163 735f 7062 6375 7469 6c20 gromacs_pbcutil \n+0001c690: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001c6a0: 3636 2220 636c 6173 733d 2265 6467 6522 66\" class=\"edge\"\n+0001c6b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001c6c0: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0001c6d0: 7261 696e 7426 2334 353b 2667 743b 6d6f raint->mo\n+0001c6e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c6f0: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+0001c700: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0001c790: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0001c800: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n+0001c880: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n+0001c890: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001c8a0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0001c8b0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n+0001c9e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n+0001ca30: 6720 6964 3d22 6564 6765 3136 3522 2063 g id=\"edge165\" c\n+0001ca40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001ca60: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+0001ca70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001ca80: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0001ca90: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes...\n+0001cc50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n+0001d110: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n+0001d120: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n+0001d130: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001d140: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft......modul\n+0001d340: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0001d350: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n+0001d360: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c ns->modul\n+0001d370: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0001d380: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+0001d390: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001d3a0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001d3b0: 6663 6322 2064 3d22 4d32 3534 352e 3835 fcc\" d=\"M2545.85\n+0001d3c0: 2c2d 3132 3130 2e35 3143 3235 3438 2e32 ,-1210.51C2548.2\n+0001d3d0: 372c 2d31 3137 342e 3038 2032 3535 352c 7,-1174.08 2555,\n+0001d3e0: 2d31 3036 342e 3532 2032 3535 352c 2d39 -1064.52 2555,-9\n+0001d3f0: 3733 2e34 3920 3235 3535 2c2d 3937 332e 73.49 2555,-973.\n+0001d400: 3439 2032 3535 352c 2d39 3733 2e34 3920 49 2555,-973.49 \n+0001d410: 3235 3535 2c2d 3930 382e 3632 2032 3535 2555,-908.62 255\n+0001d420: 352c 2d38 3733 2e33 3120 3235 3531 2e33 5,-873.31 2551.3\n+0001d430: 312c 2d38 3332 2e34 3920 3235 3438 2e36 1,-832.49 2548.6\n+0001d440: 362c 2d38 3037 2e36 3922 2f3e 0a3c 706f 6,-807.69\"/>.<po\n+0001d450: 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653e 6d6f edge\">.<title>mo\n+0001d540: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d550: 5f63 6f72 7265 6c61 7469 6f6e 6675 6e63 _correlationfunc\n+0001d560: 7469 6f6e 7326 2334 353b 2667 743b 6d6f tions->mo\n+0001d570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d580: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+0001d590: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......m\n+0001d6e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d6f0: 735f 616e 616c 7973 6973 6461 7461 3c2f s_analysisdata</\n+0001d700: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+0001d710: 6e6f 6465 3238 223e 3c61 2078 6c69 6e6b node28\"><a xlink\n+0001d720: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+0001d730: 6475 6c65 5f5f 616e 616c 7973 6973 6461 dule__analysisda\n+0001d740: 7461 2e78 6874 6d6c 2220 7461 7267 6574 ta.xhtml\" target\n+0001d750: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n+0001d760: 746c 653d 2261 6e61 6c79 7369 7364 6174 tle=\"analysisdat\n+0001d770: 6122 3e0a 3c65 6c6c 6970 7365 2066 696c a\">.<ellipse fil\n+0001d780: 6c3d 2223 6666 6363 6363 2220 7374 726f l=\"#ffcccc\" stro\n+0001d790: 6b65 3d22 626c 6163 6b22 2063 783d 2233 ke=\"black\" cx=\"3\n+0001d7a0: 3130 3422 2063 793d 222d 3132 3233 2e39 104\" cy=\"-1223.9\n+0001d7b0: 3722 2072 783d 2235 302e 3431 2220 7279 7\" rx=\"50.41\" ry\n+0001d7c0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+0001d7d0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+0001d7e0: 6464 6c65 2220 783d 2233 3130 3422 2079 ddle\" x=\"3104\" y\n+0001d7f0: 3d22 2d31 3232 312e 3437 2220 666f 6e74 =\"-1221.47\" font\n+0001d800: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+0001d810: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+0001d820: 2e30 3022 3e61 6e61 6c79 7369 7364 6174 .00\">analysisdat\n+0001d830: 613c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f a</text>.</a>.</\n+0001d840: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n+0001d850: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d860: 616e 616c 7973 6973 6461 7461 2623 3435 analysisdata-\n+0001d870: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d880: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n+0001d890: 2d3e 0a3c 6720 6964 3d22 6564 6765 3137 ->.<g id=\"edge17\n+0001d8a0: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+0001d8b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001d8c0: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79 rc_gromacs_analy\n+0001d8d0: 7369 7364 6174 6126 2334 353b 2667 743b sisdata->\n+0001d8e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001d8f0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+0001d900: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001d910: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001d920: 6662 6622 2064 3d22 4d33 3035 332e 3637 fbf\" d=\"M3053.67\n+0001d930: 2c2d 3132 3233 2e33 3943 3239 3639 2e38 ,-1223.39C2969.8\n+0001d940: 312c 2d31 3232 322e 3820 3237 3936 2e39 1,-1222.8 2796.9\n+0001d950: 392c 2d31 3231 362e 3036 2032 3635 382c 9,-1216.06 2658,\n+0001d960: 2d31 3137 342e 3533 2032 3337 342e 3037 -1174.53 2374.07\n+0001d970: 2c2d 3130 3839 2e37 2032 3332 322e 3637 ,-1089.7 2322.67\n+0001d980: 2c2d 3130 3135 2e30 3120 3230 3730 2c2d ,-1015.01 2070,-\n+0001d990: 3836 302e 3138 2032 3030 312e 3333 2c2d 860.18 2001.33,-\n+0001d9a0: 3831 382e 3120 3139 3232 2e36 362c 2d37 818.1 1922.66,-7\n+0001d9b0: 3634 2e36 3120 3138 3834 2e33 382c 2d37 64.61 1884.38,-7\n+0001d9c0: 3338 2e32 3322 2f3e 0a3c 706f 6c79 676f 38.23\"/>.<polygo\n+0001d9d0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0001d9e0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001d9f0: 2220 706f 696e 7473 3d22 3138 3836 2e32 \" points=\"1886.2\n+0001da00: 2c2d 3733 352e 3233 2031 3837 352e 3938 ,-735.23 1875.98\n+0001da10: 2c2d 3733 322e 3432 2031 3838 322e 3232 ,-732.42 1882.22\n+0001da20: 2c2d 3734 302e 3939 2031 3838 362e 322c ,-740.99 1886.2,\n+0001da30: 2d37 3335 2e32 3322 2f3e 0a3c 2f67 3e0a -735.23\"/>.</g>.\n+0001da40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0001da50: 6772 6f6d 6163 735f 616e 616c 7973 6973 gromacs_analysis\n+0001da60: 6461 7461 2623 3435 3b26 6774 3b6d 6f64 data->mod\n+0001da70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001da80: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069 options -->.<g i\n+0001da90: 643d 2265 6467 6531 3733 2220 636c 6173 d=\"edge173\" clas\n+0001daa0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001dab0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001dac0: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n+0001dad0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001dae0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+0001daf0: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons..\n+0001dc10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+0001dc80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n+0001dcd0: 0a3c 6720 6964 3d22 6564 6765 3137 3122 ..<\n+0001dcf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001dd00: 5f67 726f 6d61 6373 5f61 6e61 6c79 7369 _gromacs_analysi\n+0001dd10: 7364 6174 6126 2334 353b 2667 743b 6d6f sdata->mo\n+0001dd20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001dd30: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n+0001dd40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+0001de20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001de30: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+0001de40: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->..module_\n+0001de70: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+0001de80: 6374 696f 6e3c 2f74 6974 6c65 3e0a 3c67 ction.<\n+0001dea0: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+0001deb0: 6f75 705f 5f6d 6f64 756c 655f 5f73 656c oup__module__sel\n+0001dec0: 6563 7469 6f6e 2e78 6874 6d6c 2220 7461 ection.xhtml\" ta\n+0001ded0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+0001dee0: 6b3a 7469 746c 653d 2273 656c 6563 7469 k:title=\"selecti\n+0001def0: 6f6e 223e 0a3c 656c 6c69 7073 6520 6669 on\">..selection....\n+0001e010: 0a3c 6720 6964 3d22 6564 6765 3137 3422 ..<\n+0001e030: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001e040: 5f67 726f 6d61 6373 5f61 6e61 6c79 7369 _gromacs_analysi\n+0001e050: 7364 6174 6126 2334 353b 2667 743b 6d6f sdata->mo\n+0001e060: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e070: 5f73 656c 6563 7469 6f6e 3c2f 7469 746c _selection..\n+0001e180: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+0001e1f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+0001e270: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0001e280: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+0001e290: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+0001e2a0: 656e 7469 616c 6479 6e61 6d69 6373 3c2f entialdynamics</\n+0001e2b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001e2c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001e2d0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001e2e0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001e2f0: 2064 3d22 4d32 3136 372e 3836 2c2d 3438 d=\"M2167.86,-48\n+0001e300: 302e 3834 4332 3138 312e 3332 2c2d 3438 0.84C2181.32,-48\n+0001e310: 392e 3720 3232 3030 2e30 312c 2d35 3033 9.7 2200.01,-503\n+0001e320: 2e34 3720 3232 3133 2c2d 3531 382e 3936 .47 2213,-518.96\n+0001e330: 2032 3331 342e 3637 2c2d 3634 302e 3137 2314.67,-640.17\n+0001e340: 2032 3333 332e 372c 2d36 3832 2e30 3320 2333.7,-682.03 \n+0001e350: 3233 3830 2c2d 3833 332e 3331 2032 3430 2380,-833.31 240\n+0001e360: 372e 3039 2c2d 3932 312e 3834 2032 3430 7.09,-921.84 240\n+0001e370: 372e 3739 2c2d 3937 382e 3532 2032 3430 7.79,-978.52 240\n+0001e380: 302c 2d31 3034 382e 3739 2032 3339 342e 0,-1048.79 2394.\n+0001e390: 3431 2c2d 3130 3939 2e31 3820 3233 3735 41,-1099.18 2375\n+0001e3a0: 2c2d 3131 3039 2e33 3920 3233 3735 2c2d ,-1109.39 2375,-\n+0001e3b0: 3131 3630 2e31 2032 3337 352c 2d31 3232 1160.1 2375,-122\n+0001e3c0: 342e 3937 2032 3337 352c 2d31 3232 342e 4.97 2375,-1224.\n+0001e3d0: 3937 2032 3337 352c 2d31 3232 342e 3937 97 2375,-1224.97\n+0001e3e0: 2032 3337 352c 2d31 3236 312e 3837 2032 2375,-1261.87 2\n+0001e3f0: 3337 302e 3237 2c2d 3132 3739 2e31 3620 370.27,-1279.16 \n+0001e400: 3233 3430 2c2d 3133 3030 2e32 3720 3232 2340,-1300.27 22\n+0001e410: 3539 2e38 392c 2d31 3335 362e 3133 2031 59.89,-1356.13 1\n+0001e420: 3939 382e 3034 2c2d 3133 3138 2e35 3520 998.04,-1318.55 \n+0001e430: 3139 3032 2c2d 3133 3336 2e32 3720 3138 1902,-1336.27 18\n+0001e440: 3233 2c2d 3133 3530 2e38 3520 3137 3333 23,-1350.85 1733\n+0001e450: 2e35 362c 2d31 3337 392e 3731 2031 3638 .56,-1379.71 168\n+0001e460: 332e 3136 2c2d 3133 3937 2e31 3622 2f3e 3.16,-1397.16\"/>\n+0001e470: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001e480: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0001e490: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0001e4a0: 3d22 3136 3831 2e39 2c2d 3133 3933 2e38 =\"1681.9,-1393.8\n+0001e4b0: 3920 3136 3733 2e36 312c 2d31 3430 302e 9 1673.61,-1400.\n+0001e4c0: 3439 2031 3638 342e 3231 2c2d 3134 3030 49 1684.21,-1400\n+0001e4d0: 2e35 2031 3638 312e 392c 2d31 3339 332e .5 1681.9,-1393.\n+0001e4e0: 3839 222f 3e0a 3c2f 673e 0a3c 212d 2d20 89\"/>.</g>.<!-- \n+0001e4f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e500: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+0001e510: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001e520: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+0001e530: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+0001e540: 6531 3838 2220 636c 6173 733d 2265 6467 e188\" class=\"edg\n+0001e550: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001e560: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001e570: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+0001e580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0001e590: 6973 7465 645f 666f 7263 6573 3c2f 7469 isted_forces</ti\n+0001e5a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001e5b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001e5c0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0001e5d0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001e5e0: 3d22 4d32 3132 302e 3538 2c2d 3437 322e =\"M2120.58,-472.\n+0001e5f0: 3733 4332 3037 312e 3736 2c2d 3437 372e 73C2071.76,-477.\n+0001e600: 3035 2031 3937 332e 3534 2c2d 3438 382e 05 1973.54,-488.\n+0001e610: 3937 2031 3839 362c 2d35 3138 2e39 3620 97 1896,-518.96 \n+0001e620: 3136 3235 2e35 392c 2d36 3233 2e35 3520 1625.59,-623.55 \n+0001e630: 3136 3035 2e38 382c 2d37 3434 2e35 3520 1605.88,-744.55 \n+0001e640: 3133 3430 2c2d 3836 302e 3138 2031 3239 1340,-860.18 129\n+0001e650: 392e 3232 2c2d 3837 372e 3932 2031 3235 9.22,-877.92 125\n+0001e660: 302e 3234 2c2d 3839 302e 3831 2031 3231 0.24,-890.81 121\n+0001e670: 342e 3438 2c2d 3839 382e 3832 222f 3e0a 4.48,-898.82\"/>.\n+0001e680: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0001e690: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+0001e6a0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+0001e6b0: 2231 3231 332e 3332 2c2d 3839 352e 3439 \"1213.32,-895.49\n+0001e6c0: 2031 3230 342e 332c 2d39 3031 2e30 3520 1204.3,-901.05 \n+0001e6d0: 3132 3134 2e38 322c 2d39 3032 2e33 3320 1214.82,-902.33 \n+0001e6e0: 3132 3133 2e33 322c 2d38 3935 2e34 3922 1213.32,-895.49\"\n+0001e6f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001e700: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e710: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0001e720: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e730: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964 _mdlib -->.<g id\n+0001e740: 3d22 6564 6765 3138 3922 2063 6c61 7373 =\"edge189\" class\n+0001e750: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001e760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e770: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+0001e780: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001e790: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+0001e7a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001e7b0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+0001e7c0: 2064 3d22 4d32 3137 312e 3834 2c2d 3437 d=\"M2171.84,-47\n+0001e7d0: 392e 3638 4332 3139 302e 3538 2c2d 3438 9.68C2190.58,-48\n+0001e7e0: 382e 3431 2032 3231 382e 342c 2d35 3032 8.41 2218.4,-502\n+0001e7f0: 2e36 3220 3232 3430 2c2d 3531 382e 3936 .62 2240,-518.96\n+0001e800: 2032 3330 382e 3437 2c2d 3537 302e 3736 2308.47,-570.76\n+0001e810: 2032 3337 352c 2d35 3731 2e32 3820 3233 2375,-571.28 23\n+0001e820: 3735 2c2d 3635 372e 3134 2032 3337 352c 75,-657.14 2375,\n+0001e830: 2d39 3733 2e34 3920 3233 3735 2c2d 3937 -973.49 2375,-97\n+0001e840: 332e 3439 2032 3337 352c 2d39 3733 2e34 3.49 2375,-973.4\n+0001e850: 3920 3233 3735 2c2d 3938 382e 3734 2032 9 2375,-988.74 2\n+0001e860: 3330 382e 3134 2c2d 3132 3235 2e31 3920 308.14,-1225.19 \n+0001e870: 3232 3939 2c2d 3132 3337 2e34 2032 3236 2299,-1237.4 226\n+0001e880: 372e 3736 2c2d 3132 3739 2e31 3220 3232 7.76,-1279.12 22\n+0001e890: 3439 2e34 372c 2d31 3238 332e 3836 2032 49.47,-1283.86 2\n+0001e8a0: 3230 302c 2d31 3330 302e 3237 2032 3137 200,-1300.27 217\n+0001e8b0: 312e 3037 2c2d 3133 3039 2e38 3720 3137 1.07,-1309.87 17\n+0001e8c0: 3237 2e32 352c 2d31 3333 382e 3033 2031 27.25,-1338.03 1\n+0001e8d0: 3539 332e 3131 2c2d 3133 3436 2e33 3622 593.11,-1346.36\"\n+0001e8e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001e8f0: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n+0001e900: 6564 2220 706f 696e 7473 3d22 3135 3932 ed\" points=\"1592\n+0001e910: 2e36 372c 2d31 3334 322e 3838 2031 3538 .67,-1342.88 158\n+0001e920: 322e 3931 2c2d 3133 3436 2e39 3920 3135 2.91,-1346.99 15\n+0001e930: 3933 2e31 312c 2d31 3334 392e 3837 2031 93.11,-1349.87 1\n+0001e940: 3539 322e 3637 2c2d 3133 3432 2e38 3822 592.67,-1342.88\"\n+0001e950: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001e960: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e970: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0001e980: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e990: 5f74 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 _topology -->.<g\n+0001e9a0: 2069 643d 2265 6467 6531 3935 2220 636c id=\"edge195\" cl\n+0001e9b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001e9c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001e9d0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0001e9e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001e9f0: 726f 6d61 6373 5f74 6f70 6f6c 6f67 793c romacs_topology<\n+0001ea00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001ea10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001ea20: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n+0001ea30: 3138 302e 3433 2c2d 3437 342e 3231 4332 180.43,-474.21C2\n+0001ea40: 3232 312e 3437 2c2d 3438 302e 3035 2032 221.47,-480.05 2\n+0001ea50: 3239 372e 3635 2c2d 3439 332e 3438 2032 297.65,-493.48 2\n+0001ea60: 3335 382c 2d35 3138 2e39 3620 3233 3738 358,-518.96 2378\n+0001ea70: 2e34 312c 2d35 3237 2e35 3820 3233 3831 .41,-527.58 2381\n+0001ea80: 2e32 312c 2d35 3334 2e30 3920 3234 3030 .21,-534.09 2400\n+0001ea90: 2c2d 3534 352e 3833 2032 3432 362e 3035 ,-545.83 2426.05\n+0001eaa0: 2c2d 3536 322e 3131 2032 3433 342e 3737 ,-562.11 2434.77\n+0001eab0: 2c2d 3536 322e 3934 2032 3435 392c 2d35 ,-562.94 2459,-5\n+0001eac0: 3831 2e38 3320 3235 3439 2e36 362c 2d36 81.83 2549.66,-6\n+0001ead0: 3532 2e35 3120 3235 3934 2e38 352c 2d36 52.51 2594.85,-6\n+0001eae0: 3633 2e31 2032 3633 362c 2d37 3730 2e34 63.1 2636,-770.4\n+0001eaf0: 3420 3236 3831 2e39 342c 2d38 3930 2e32 4 2681.94,-890.2\n+0001eb00: 3920 3236 3533 2e36 312c 2d39 3632 2e30 9 2653.61,-962.0\n+0001eb10: 3420 3235 3539 2c2d 3130 3438 2e37 3920 4 2559,-1048.79 \n+0001eb20: 3234 3434 2e30 372c 2d31 3135 342e 3138 2444.07,-1154.18\n+0001eb30: 2031 3934 342e 392c 2d31 3230 352e 3538 1944.9,-1205.58\n+0001eb40: 2031 3739 302e 3031 2c2d 3132 3139 2e31 1790.01,-1219.1\n+0001eb50: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669 9\"/>.<polygon fi\n+0001eb60: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001eb70: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0001eb80: 696e 7473 3d22 3137 3839 2e35 352c 2d31 ints=\"1789.55,-1\n+0001eb90: 3231 352e 3731 2031 3737 392e 3839 2c2d 215.71 1779.89,-\n+0001eba0: 3132 3230 2e30 3720 3137 3930 2e31 352c 1220.07 1790.15,\n+0001ebb0: 2d31 3232 322e 3639 2031 3738 392e 3535 -1222.69 1789.55\n+0001ebc0: 2c2d 3132 3135 2e37 3122 2f3e 0a3c 2f67 ,-1215.71\"/>.</g\n+0001ebd0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001ebe0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0001ebf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001ec00: 7263 5f67 726f 6d61 6373 5f6d 696d 6963 rc_gromacs_mimic\n+0001ec10: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001ec20: 3139 3122 2063 6c61 7373 3d22 6564 6765 191\" class=\"edge\n+0001ec30: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001ec40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0001ec50: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+0001ec60: 655f 7372 635f 6772 6f6d 6163 735f 6d69 e_src_gromacs_mi\n+0001ec70: 6d69 633c 2f74 6974 6c65 3e0a 3c70 6174 mic....<\n+0001ed60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001ed70: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0001ed80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001ed90: 6772 6f6d 6163 735f 6c69 6e65 6172 616c gromacs_linearal\n+0001eda0: 6765 6272 6120 2d2d 3e0a 3c67 2069 643d gebra -->..m\n+0001edd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ede0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+0001edf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ee00: 6373 5f6c 696e 6561 7261 6c67 6562 7261 cs_linearalgebra\n+0001ee10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+0001f060: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001f070: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+0001f080: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001f090: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+0001f0a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001f0b0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0001f0c0: 6266 6266 2220 643d 224d 3231 3230 2e30 bfbf\" d=\"M2120.0\n+0001f0d0: 362c 2d34 3731 2e34 3543 3230 3538 2e34 6,-471.45C2058.4\n+0001f0e0: 382c 2d34 3735 2e32 3120 3139 3231 2e39 8,-475.21 1921.9\n+0001f0f0: 332c 2d34 3933 2e35 3920 3138 3639 2c2d 3,-493.59 1869,-\n+0001f100: 3538 312e 3833 2031 3834 372e 3532 2c2d 581.83 1847.52,-\n+0001f110: 3631 372e 3634 2031 3835 312e 3532 2c2d 617.64 1851.52,-\n+0001f120: 3636 382e 3531 2031 3835 362e 332c 2d36 668.51 1856.3,-6\n+0001f130: 3937 2e34 3922 2f3e 0a3c 706f 6c79 676f 97.49\"/>.<polygo\n+0001f140: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0001f150: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001f160: 2220 706f 696e 7473 3d22 3138 3532 2e38 \" points=\"1852.8\n+0001f170: 382c 2d36 3938 2e32 3420 3138 3538 2e31 8,-698.24 1858.1\n+0001f180: 322c 2d37 3037 2e34 3520 3138 3539 2e37 2,-707.45 1859.7\n+0001f190: 362c 2d36 3936 2e39 3820 3138 3532 2e38 6,-696.98 1852.8\n+0001f1a0: 382c 2d36 3938 2e32 3422 2f3e 0a3c 2f67 8,-698.24\"/>.</g\n+0001f1b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001f1c0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0001f1d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001f1e0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+0001f1f0: 6172 6520 2d2d 3e0a 3c67 2069 643d 2265 are -->.<g id=\"e\n+0001f200: 6467 6532 3032 2220 636c 6173 733d 2265 dge202\" class=\"e\n+0001f210: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001f220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f230: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0001f240: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f250: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n+0001f260: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001f270: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001f280: 6662 6622 2064 3d22 4d32 3131 392e 372c fbf\" d=\"M2119.7,\n+0001f290: 2d34 3638 2e37 3343 3230 3232 2e37 312c -468.73C2022.71,\n+0001f2a0: 2d34 3638 2e38 3920 3137 3238 2e37 332c -468.89 1728.73,\n+0001f2b0: 2d34 3635 2e35 3220 3136 3437 2c2d 3432 -465.52 1647,-42\n+0001f2c0: 302e 3039 2031 3630 372e 3436 2c2d 3339 0.09 1607.46,-39\n+0001f2d0: 382e 3132 2031 3538 312e 3138 2c2d 3337 8.12 1581.18,-37\n+0001f2e0: 312e 3933 2031 3539 392c 2d33 3330 2e33 1.93 1599,-330.3\n+0001f2f0: 3520 3136 3137 2e31 322c 2d32 3838 2e30 5 1617.12,-288.0\n+0001f300: 3720 3136 3630 2e31 352c 2d32 3534 2e34 7 1660.15,-254.4\n+0001f310: 3420 3136 3838 2e39 332c 2d32 3335 2e36 4 1688.93,-235.6\n+0001f320: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n+0001f330: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001f340: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0001f350: 696e 7473 3d22 3136 3931 2e31 352c 2d32 ints=\"1691.15,-2\n+0001f360: 3338 2e33 3620 3136 3937 2e37 322c 2d32 38.36 1697.72,-2\n+0001f370: 3330 2e30 3420 3136 3837 2e34 2c2d 3233 30.04 1687.4,-23\n+0001f380: 322e 3435 2031 3639 312e 3135 2c2d 3233 2.45 1691.15,-23\n+0001f390: 382e 3336 222f 3e0a 3c2f 673e 0a3c 212d 8.36\"/>.</g>.<!-\n+0001f3a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001f3b0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0001f3c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001f3d0: 6f6d 6163 735f 7377 6170 202d 2d3e 0a3c omacs_swap -->.<\n+0001f3e0: 6720 6964 3d22 6564 6765 3137 3922 2063 g id=\"edge179\" c\n+0001f3f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001f400: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001f410: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0001f420: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001f430: 6772 6f6d 6163 735f 7377 6170 3c2f 7469 gromacs_swap</ti\n+0001f440: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f450: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001f460: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0001f470: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001f480: 3d22 4d32 3131 392e 3731 2c2d 3436 372e =\"M2119.71,-467.\n+0001f490: 3938 4332 3030 322e 3931 2c2d 3436 352e 98C2002.91,-465.\n+0001f4a0: 3639 2031 3538 312e 3339 2c2d 3435 352e 69 1581.39,-455.\n+0001f4b0: 3334 2031 3233 362c 2d34 3230 2e30 3920 34 1236,-420.09 \n+0001f4c0: 3132 3230 2e36 372c 2d34 3138 2e35 3320 1220.67,-418.53 \n+0001f4d0: 3132 3033 2e38 332c 2d34 3136 2e31 2031 1203.83,-416.1 1\n+0001f4e0: 3138 392e 3431 2c2d 3431 332e 3822 2f3e 189.41,-413.8\"/>\n+0001f4f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001f500: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0001f510: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0001f520: 3d22 3131 3839 2e38 342c 2d34 3130 2e33 =\"1189.84,-410.3\n+0001f530: 3220 3131 3739 2e34 2c2d 3431 322e 3136 2 1179.4,-412.16\n+0001f540: 2031 3138 382e 3731 2c2d 3431 372e 3233 1188.71,-417.23\n+0001f550: 2031 3138 392e 3834 2c2d 3431 302e 3332 1189.84,-410.32\n+0001f560: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001f570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f580: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+0001f590: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f5a0: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 s_nbnxm -->.<g i\n+0001f5b0: 643d 2265 6467 6532 3031 2220 636c 6173 d=\"edge201\" clas\n+0001f5c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001f5d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001f5e0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+0001f5f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001f600: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm</titl\n+0001f610: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001f620: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001f630: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001f640: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001f650: 4d32 3131 392e 3636 2c2d 3436 382e 3438 M2119.66,-468.48\n+0001f660: 4331 3937 302e 3032 2c2d 3436 382e 3033 C1970.02,-468.03\n+0001f670: 2031 3333 322e 3331 2c2d 3436 332e 3536 1332.31,-463.56\n+0001f680: 2031 3235 362c 2d34 3230 2e30 3920 3132 1256,-420.09 12\n+0001f690: 3134 2e33 312c 2d33 3936 2e33 3420 3132 14.31,-396.34 12\n+0001f6a0: 3336 2e31 322c 2d33 3536 2e36 3620 3131 36.12,-356.66 11\n+0001f6b0: 3936 2c2d 3333 302e 3335 2031 3137 372e 96,-330.35 1177.\n+0001f6c0: 3331 2c2d 3331 382e 3039 2031 3033 392e 31,-318.09 1039.\n+0001f6d0: 3633 2c2d 3239 372e 3420 3936 392e 3632 63,-297.4 969.62\n+0001f6e0: 2c2d 3238 372e 3522 2f3e 0a3c 706f 6c79 ,-287.5\"/>.<poly\n+0001f6f0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0001f700: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0001f710: 6363 2220 706f 696e 7473 3d22 3936 392e cc\" points=\"969.\n+0001f720: 3739 2c2d 3238 332e 3939 2039 3539 2e34 79,-283.99 959.4\n+0001f730: 2c2d 3238 362e 3037 2039 3638 2e38 322c ,-286.07 968.82,\n+0001f740: 2d32 3930 2e39 3320 3936 392e 3739 2c2d -290.93 969.79,-\n+0001f750: 3238 332e 3939 222f 3e0a 3c2f 673e 0a3c 283.99\"/>.</g>.<\n+0001f760: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001f770: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0001f780: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001f790: 6772 6f6d 6163 735f 7075 6c6c 696e 6720 gromacs_pulling \n+0001f7a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001f7b0: 3933 2220 636c 6173 733d 2265 6467 6522 93\" class=\"edge\"\n+0001f7c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001f7d0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0001f7e0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+0001f7f0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+0001f800: 6c69 6e67 3c2f 7469 746c 653e 0a3c 7061 ling...<\n+0001f930: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+0001f9a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f9b0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+0001f9c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f9d0: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n+0001f9e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001f9f0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001fa00: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001fa10: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001fa20: 3231 3736 2e36 332c 2d34 3631 2e36 3743 2176.63,-461.67C\n+0001fa30: 3232 3038 2e36 312c 2d34 3532 2e39 3120 2208.61,-452.91 \n+0001fa40: 3232 3634 2e38 342c 2d34 3336 2e38 3820 2264.84,-436.88 \n+0001fa50: 3233 3132 2c2d 3432 302e 3039 2032 3334 2312,-420.09 234\n+0001fa60: 312e 3435 2c2d 3430 392e 3620 3233 3436 1.45,-409.6 2346\n+0001fa70: 2e36 2c2d 3430 302e 3439 2032 3337 372c .6,-400.49 2377,\n+0001fa80: 2d33 3933 2e32 3220 3236 3532 2e33 312c -393.22 2652.31,\n+0001fa90: 2d33 3237 2e33 3520 3333 3635 2c2d 3331 -327.35 3365,-31\n+0001faa0: 392e 3032 2033 3634 372c 2d32 3934 2e33 9.02 3647,-294.3\n+0001fab0: 3520 3336 3735 2e35 312c 2d32 3931 2e38 5 3675.51,-291.8\n+0001fac0: 3620 3337 3037 2e35 362c 2d32 3838 2e37 6 3707.56,-288.7\n+0001fad0: 3420 3337 3332 2e34 362c 2d32 3836 2e32 4 3732.46,-286.2\n+0001fae0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n+0001faf0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0001fb00: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0001fb10: 696e 7473 3d22 3337 3333 2e30 362c 2d32 ints=\"3733.06,-2\n+0001fb20: 3839 2e37 3120 3337 3432 2e36 362c 2d32 89.71 3742.66,-2\n+0001fb30: 3835 2e32 3320 3337 3332 2e33 362c 2d32 85.23 3732.36,-2\n+0001fb40: 3832 2e37 3520 3337 3333 2e30 362c 2d32 82.75 3733.06,-2\n+0001fb50: 3839 2e37 3122 2f3e 0a3c 2f67 3e0a 3c21 89.71\"/>.</g>.<!\n+0001fb60: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001fb70: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0001fb80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001fb90: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n+0001fba0: 3e0a 3c67 2069 643d 2265 6467 6531 3833 >.<g id=\"edge183\n+0001fbb0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001fbc0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001fbd0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0001fbe0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001fbf0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001fc00: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c...\n+0001fd40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n+0001fdc0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0001fdd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001fde0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0001fdf0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne....<\n+0001ff30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001ff40: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0001ff50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001ff60: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+0001ff70: 3e0a 3c67 2069 643d 2265 6467 6531 3835 >..\n+0001ff90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001ffa0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0001ffb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001ffc0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+0001ffd0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+00020110: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00020120: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00020130: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020140: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+00020150: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity.....<\n+00020330: 6720 6964 3d22 6564 6765 3139 3422 2063 g id=\"edge194\" c\n+00020340: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00020360: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00020370: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00020380: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing...<\n+000204a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n+00020510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020520: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00020530: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020540: 6163 735f 7265 7374 7261 696e 743c 2f74 acs_restraint</t\n+00020550: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00020560: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00020570: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00020580: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00020590: 643d 224d 3231 3230 2e31 322c 2d34 3637 d=\"M2120.12,-467\n+000205a0: 2e36 3643 3139 3638 2e30 392c 2d34 3633 .66C1968.09,-463\n+000205b0: 2e33 3420 3132 3834 2e30 342c 2d34 3433 .34 1284.04,-443\n+000205c0: 2e34 3720 3732 342c 2d34 3230 2e30 3920 .47 724,-420.09 \n+000205d0: 3635 322e 3538 2c2d 3431 372e 3131 2035 652.58,-417.11 5\n+000205e0: 3639 2e37 362c 2d34 3132 2e38 3520 3531 69.76,-412.85 51\n+000205f0: 392e 3339 2c2d 3431 302e 3137 222f 3e0a 9.39,-410.17\"/>.\n+00020600: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00020610: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+00020620: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+00020630: 2235 3139 2e33 332c 2d34 3036 2e36 3620 \"519.33,-406.66 \n+00020640: 3530 392e 3135 2c2d 3430 392e 3632 2035 509.15,-409.62 5\n+00020650: 3138 2e39 352c 2d34 3133 2e36 3520 3531 18.95,-413.65 51\n+00020660: 392e 3333 2c2d 3430 362e 3636 222f 3e0a 9.33,-406.66\"/>.\n+00020670: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00020680: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00020690: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+000206a0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+000206b0: 6475 6c61 7273 696d 756c 6174 6f72 202d dularsimulator -\n+000206c0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139 ->.<g id=\"edge19\n+000206d0: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n+000206e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000206f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00020700: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020710: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00020720: 6c61 7273 696d 756c 6174 6f72 3c2f 7469 larsimulator</ti\n+00020730: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00020740: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00020750: 6564 2220 643d 224d 3231 3534 2e35 392c ed\" d=\"M2154.59,\n+00020760: 2d34 3833 4332 3135 382e 3434 2c2d 3531 -483C2158.44,-51\n+00020770: 342e 3032 2032 3135 382e 3737 2c2d 3539 4.02 2158.77,-59\n+00020780: 342e 3935 2032 3135 352e 3539 2c2d 3633 4.95 2155.59,-63\n+00020790: 342e 3539 222f 3e0a 3c70 6f6c 7967 6f6e 4.59\"/>.<polygon\n+000207a0: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+000207b0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+000207c0: 2232 3135 322e 312c 2d36 3334 2e33 3120 \"2152.1,-634.31 \n+000207d0: 3231 3534 2e36 2c2d 3634 342e 3620 3231 2154.6,-644.6 21\n+000207e0: 3539 2e30 362c 2d36 3335 2032 3135 322e 59.06,-635 2152.\n+000207f0: 312c 2d36 3334 2e33 3122 2f3e 0a3c 2f67 1,-634.31\"/>.</g\n+00020800: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00020810: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n+00020820: 7369 676e 6d65 6e74 202d 2d3e 0a3c 6720 signment -->.<g \n+00020830: 6964 3d22 6e6f 6465 3331 2220 636c 6173 id=\"node31\" clas\n+00020840: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00020850: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00020860: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+00020870: 6e74 3c2f 7469 746c 653e 0a3c 6720 6964 nt...taska\n+000209a0: 7373 6967 6e6d 656e 743c 2f74 6578 743e ssignment\n+000209b0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a ....\n+000209c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_grom\n+00020a40: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00020a50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00020a60: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+00020a70: 656e 743c 2f74 6974 6c65 3e0a 3c70 6174 ent......module_src_gro\n+00020bd0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00020be0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020bf0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00020c00: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......modu\n+00020d40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00020d50: 7070 6c69 6564 5f66 6f72 6365 733c 2f74 pplied_forces</t\n+00020d60: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n+00020d70: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00020d80: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+00020d90: 2233 3037 3122 2063 793d 222d 3430 362e \"3071\" cy=\"-406.\n+00020da0: 3636 2220 7278 3d22 3536 2e36 3422 2072 66\" rx=\"56.64\" r\n+00020db0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00020dc0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00020dd0: 6964 646c 6522 2078 3d22 3330 3731 2220 iddle\" x=\"3071\" \n+00020de0: 793d 222d 3430 342e 3136 2220 666f 6e74 y=\"-404.16\" font\n+00020df0: 2d66 616d 696c 793d 2246 7265 6553 616e 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733c 2f74 6974 6c65 3e0a 3c70 6174 ces....<\n+00020ff0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00021000: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00021010: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00021020: 6772 6f6d 6163 735f 696d 6420 2d2d 3e0a gromacs_imd -->.\n+00021030: 3c67 2069 643d 2265 6467 6531 3737 2220 .module_src_\n+00021060: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00021070: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00021080: 5f67 726f 6d61 6373 5f69 6d64 3c2f 7469 _gromacs_imd..\n+00021140: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n+00021220: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00021230: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00021240: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021250: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+00021260: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00021270: 2073 7472 6f6b 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odule_src_gromac\n+00022f60: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling</title\n+00022f70: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00022f80: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00022f90: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00022fa0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00022fb0: 3231 3132 2e31 322c 2d36 3437 2e33 3643 2112.12,-647.36C\n+00022fc0: 3230 3636 2e30 312c 2d36 3335 2e37 3620 2066.01,-635.76 \n+00022fd0: 3139 3839 2e37 372c 2d36 3136 2e35 3820 1989.77,-616.58 \n+00022fe0: 3139 3434 2e39 372c 2d36 3035 2e33 3122 1944.97,-605.31\"\n+00022ff0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00023000: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00023010: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00023020: 7473 3d22 3139 3435 2e36 362c 2d36 3031 ts=\"1945.66,-601\n+00023030: 2e38 3820 3139 3335 2e31 312c 2d36 3032 .88 1935.11,-602\n+00023040: 2e38 3320 3139 3433 2e39 352c 2d36 3038 .83 1943.95,-608\n+00023050: 2e36 3720 3139 3435 2e36 362c 2d36 3031 .67 1945.66,-601\n+00023060: 2e38 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .88\"/>.</g>.<!--\n+00023070: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00023080: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00023090: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+000230a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000230b0: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964 domdec -->.<g id\n+000230c0: 3d22 6564 6765 3230 3822 2063 6c61 7373 =\"edge208\" class\n+000230d0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000230e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000230f0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n+00023100: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n+00023110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00023120: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec.\n+000231c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n+00023230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+000232b0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+000232c0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+000232d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000232e0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+000232f0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine......modu\n+000234c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000234d0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+000234e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000234f0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00023500: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+00023680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00023690: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+000236a0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+000236b0: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+000236c0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......modu\n+000238a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000238b0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+000238c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000238d0: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+000238e0: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g.\n+000239a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+00023a90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00023aa0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00023ab0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00023ac0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00023ad0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n......module_src_grom\n+00023c30: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00023c40: 6174 6f72 2623 3435 3b26 6774 3b6d 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0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00024b30: 7263 5f67 726f 6d61 6373 5f72 6573 7472 rc_gromacs_restr\n-00024b40: 6169 6e74 2623 3435 3b26 6774 3b6d 6f64 aint->mod\n-00024b50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00024b60: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n-00024b70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n-00024d10: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n-00024d20: 6675 6e63 7469 6f6e 733c 2f74 6974 6c65 functions..<\n-00024db0: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n-00024dc0: 6663 6363 6322 2073 7472 6f6b 653d 2262 fcccc\" stroke=\"b\n-00024dd0: 6c61 636b 2220 6378 3d22 3132 3337 2220 lack\" cx=\"1237\" \n-00024de0: 6379 3d22 2d31 3232 332e 3937 2220 7278 cy=\"-1223.97\" rx\n-00024df0: 3d22 3731 2e33 3422 2072 793d 2231 332e =\"71.34\" ry=\"13.\n-00024e00: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.\n-00024e60: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-00024e70: 696f 6e73 3c2f 7465 7874 3e0a 3c2f 613e ions.\n-00024e80: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_gr\n-00024f10: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n-00024f20: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n-00024f30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00024f40: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio......module_src_grom\n-000250c0: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n-000250d0: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n-000250e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000250f0: 6163 735f 6666 743c 2f74 6974 6c65 3e0a acs_fft.\n-00025100: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n-00025220: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00025230: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00025240: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00025250: 3133 3138 2e36 342c 2d34 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269\" class=\"edge\n-000272d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000272e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000272f0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00027300: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00027310: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_gro\n-000274f0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00027500: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00027510: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware...\n-00027710: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00027780: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00027790: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-000277a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000277b0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-000277c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-000278d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-00027ce0: 3c67 2069 643d 2265 6467 6532 3733 2220 .module_src_\n-00027d10: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00027d20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00027d30: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-00027d40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00027ed0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-00027f90: 0a3c 6720 6964 3d22 6564 6765 3237 3622 ..<\n-00027fb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00027fc0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00027fd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00027fe0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00027ff0: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory......module_src_grom\n-000281d0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-000281e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000281f0: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options.\n-000282b0: 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6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00028720: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00028730: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00028740: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald</ti\n-00028750: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00028760: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00028770: 6564 2220 643d 224d 3231 3230 2e37 352c ed\" d=\"M2120.75,\n-00028780: 2d38 3334 2e31 3743 3231 3330 2e33 2c2d -834.17C2130.3,-\n-00028790: 3832 342e 3538 2032 3134 332e 3935 2c2d 824.58 2143.95,-\n-000287a0: 3831 302e 3434 2032 3135 352c 2d37 3937 810.44 2155,-797\n-000287b0: 2e33 3120 3231 3634 2e35 392c 2d37 3835 .31 2164.59,-785\n-000287c0: 2e39 3220 3231 3634 2e30 352c 2d37 3830 .92 2164.05,-780\n-000287d0: 2e35 3320 3231 3735 2c2d 3737 302e 3434 .53 2175,-770.44\n-000287e0: 2032 3237 342e 382c 2d36 3738 2e34 3720 2274.8,-678.47 \n-000287f0: 3233 3330 2e32 392c 2d36 3936 2e32 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gt;module_src_gr\n-000288e0: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n-000288f0: 3e0a 3c67 2069 643d 2265 6467 6532 3630 >.<g id=\"edge260\n-00028900: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00028910: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00028920: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00028930: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00028940: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-00028950: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......module_src_gr\n-00028b80: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00028b90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00028ba0: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing..\n-00028d70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n-00028df0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00028e00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00028e10: 6f6d 6163 735f 7265 7374 7261 696e 743c omacs_restraint<\n-00028e20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n-00028f20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-00028fa0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00028fb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00028fc0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00028fd0: 6d75 6c61 746f 723c 2f74 6974 6c65 3e0a mulator.\n-00028fe0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00029070: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n-000290e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-00029130: 0a3c 6720 6964 3d22 6564 6765 3238 3622 ..<\n-00029150: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00029160: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00029170: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00029180: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-00029190: 7369 676e 6d65 6e74 3c2f 7469 746c 653e signment\n-000291a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-00029270: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n-000292c0: 6720 6964 3d22 6564 6765 3237 3022 2063 g id=\"edge270\" c\n-000292d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000292f0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-00029300: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00029310: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00029320: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....\n-00029410: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-00029460: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00029470: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-00029480: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..<\n-000294e0: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-000294f0: 3d22 6d69 6464 6c65 2220 783d 2231 3331 =\"middle\" x=\"131\n-00029500: 3322 2079 3d22 2d37 3831 2e33 3822 2066 3\" y=\"-781.38\" f\n-00029510: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00029520: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-00029530: 2231 302e 3030 223e 6170 706c 6965 645f \"10.00\">applied_\n-00029540: 666f 7263 6573 3c2f 7465 7874 3e0a 3c2f forces...<\n-000295a0: 6720 6964 3d22 6564 6765 3235 3622 2063 g id=\"edge256\" c\n-000295b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000295d0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000295e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000295f0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00029600: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n-00029610: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00029620: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00029630: 224d 3230 3738 2e37 372c 2d38 3433 2e34 \"M2078.77,-843.4\n-00029640: 3343 3139 3631 2e37 382c 2d38 3334 2e34 3C1961.78,-834.4\n-00029650: 3920 3135 3337 2e33 312c 2d38 3032 2e30 9 1537.31,-802.0\n-00029660: 3320 3133 3735 2e38 392c 2d37 3839 2e36 3 1375.89,-789.6\n-00029670: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>..\n-000296e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00029750: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00029760: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00029770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00029780: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md......\n-00029910: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00029920: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00029930: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00029940: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-00029950: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m..<\n-00029a30: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-00029a40: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-00029a50: 636b 2220 706f 696e 7473 3d22 3935 352e ck\" points=\"955.\n-00029a60: 3135 2c2d 3534 342e 3132 2039 3434 2e36 15,-544.12 944.6\n-00029a70: 312c 2d35 3433 2e30 3920 3935 322e 3231 1,-543.09 952.21\n-00029a80: 2c2d 3535 302e 3437 2039 3535 2e31 352c ,-550.47 955.15,\n-00029a90: 2d35 3434 2e31 3222 2f3e 0a3c 2f67 3e0a -544.12\"/>..\n-00029aa0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-00029b10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00029b20: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00029b30: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n-00029b40: 6375 7469 6c3c 2f74 6974 6c65 3e0a 3c70 cutil....\n-00029cc0: 0a3c 6720 6964 3d22 6564 6765 3238 3322 ..<\n-00029ce0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00029cf0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00029d00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00029d10: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00029d20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n-00029f30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00029f40: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-00029f50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00029f60: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-00029f70: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh......modu\n-0002a140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0002a150: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-0002a160: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0002a170: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-0002a180: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......\n-0002a2e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002a2f0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-0002a300: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-0002a310: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002a320: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-0002a330: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n-0002a520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002a530: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-0002a540: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-0002a550: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0002a560: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_\n-0002a6d0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-0002a6e0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-0002a6f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002a700: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n-0002a710: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0002a720: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n-0002a730: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n-0002a740: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0002a750: 4d32 3330 382e 3238 2c2d 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6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n-0002a930: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n-0002a940: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002a950: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-0002a960: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces......module_\n-0002aae0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-0002aaf0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-0002ab00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002ab10: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n-0002ab20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-0002aca0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002acb0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0002acc0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0002acd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002ace0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib 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5f67 726f 6d61 module_src_groma\n-0002b2d0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-0002b2e0: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-0002b2f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-0002b300: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n-0002b310: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002b320: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0002b330: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0002b340: 6179 3d22 352c 3222 2064 3d22 4d32 3433 ay=\"5,2\" d=\"M243\n-0002b350: 382e 3136 2c2d 3130 3335 2e32 3843 3235 8.16,-1035.28C25\n-0002b360: 3633 2e31 342c 2d31 3033 352e 3836 2032 63.14,-1035.86 2\n-0002b370: 3834 342e 3632 2c2d 3130 3331 2e34 3220 844.62,-1031.42 \n-0002b380: 3330 3736 2c2d 3938 352e 3932 2033 3235 3076,-985.92 325\n-0002b390: 302e 3535 2c2d 3935 312e 3620 3333 3135 0.55,-951.6 3315\n-0002b3a0: 2e36 372c 2d39 3639 2e35 3120 3334 3536 .67,-969.51 3456\n-0002b3b0: 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6d61 module_src_groma\n-0002b570: 6373 5f74 7261 6a65 6374 6f72 793c 2f74 cs_trajectory.\n-0002b670: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n-0002b960: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-0002b970: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-0002b980: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002b990: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline......module_src_grom\n-0002bb20: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-0002bb30: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-0002bb40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002bb50: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald.\n-0002bbf0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-0002bf70: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-0002bf80: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-0002bf90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002bfa0: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n-0002bfb0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-0002c1d0: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-0002c1e0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-0002c1f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002c200: 6d64 7275 6e3c 2f74 6974 6c65 3e0a 3c70 mdrun..<\n-0002c2a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0002c2b0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0002c2c0: 706f 696e 7473 3d22 3231 3335 2e31 312c points=\"2135.11,\n-0002c2d0: 2d38 3630 2e34 3620 3231 3234 2e36 392c -860.46 2124.69,\n-0002c2e0: 2d38 3538 2e35 3320 3231 3331 2e36 332c -858.53 2131.63,\n-0002c2f0: 2d38 3636 2e35 3320 3231 3335 2e31 312c -866.53 2135.11,\n-0002c300: 2d38 3630 2e34 3622 2f3e 0a3c 2f67 3e0a -860.46\"/>..\n-0002c310: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-0002c390: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-0002c3a0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-0002c3b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002c3c0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0002c3d0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility..\n-0002c500: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-0002c580: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-0002c590: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-0002c5a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002c5b0: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n-0002c5c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0002c5d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0002c5e0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n-0002c5f0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0002c600: 643d 224d 3233 3038 2e32 382c 2d31 3033 d=\"M2308.28,-103\n-0002c610: 332e 3531 4332 3036 392e 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955.63,-\n-0002c700: 3534 342e 3037 222f 3e0a 3c2f 673e 0a3c 544.07\"/>.</g>.<\n-0002c710: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002c720: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0002c730: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0002c740: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002c750: 6373 5f70 6263 7574 696c 202d 2d3e 0a3c cs_pbcutil -->.<\n-0002c760: 6720 6964 3d22 6564 6765 3330 3322 2063 g id=\"edge303\" c\n-0002c770: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0002c780: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0002c790: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0002c7a0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0002c7b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0002c7c0: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil</titl\n-0002c7d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0002c7e0: 6f6e 6522 2073 7472 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735f 636f 6d70 6174 3c2f 7469 omacs_compat</ti\n-0002c9c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0002c9d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0002c9e0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0002c9f0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0002ca00: 3d22 4d32 3433 382e 3032 2c2d 3130 3334 =\"M2438.02,-1034\n-0002ca10: 2e38 3443 3235 3733 2e37 312c 2d31 3033 .84C2573.71,-103\n-0002ca20: 342e 3839 2032 3839 362e 3539 2c2d 3130 4.89 2896.59,-10\n-0002ca30: 3239 2e38 3720 3331 3633 2c2d 3938 352e 29.87 3163,-985.\n-0002ca40: 3932 2033 3236 372e 3938 2c2d 3936 382e 92 3267.98,-968.\n-0002ca50: 3620 3332 3933 2e32 332c 2d39 3537 2e31 6 3293.23,-957.1\n-0002ca60: 3920 3333 3934 2c2d 3932 332e 3035 2033 9 3394,-923.05 3\n-0002ca70: 3533 312e 372c 2d38 3736 2e34 2033 3539 531.7,-876.4 359\n-0002ca80: 382e 3132 2c2d 3930 342e 3832 2033 3639 8.12,-904.82 369\n-0002ca90: 362c 2d37 3937 2e33 3120 3337 3639 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le_src_gromacs_t\n-0002cb80: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n-0002cb90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002cba0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0002cbb0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0002cbc0: 3331 3222 2063 6c61 7373 3d22 6564 6765 312\" class=\"edge\n-0002cbd0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0002cbe0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n-0002cbf0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n-0002cc00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002cc10: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-0002cc20: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0002cc30: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0002cc40: 2223 6266 6266 6266 2220 643d 224d 3331 \"#bfbfbf\" d=\"M31\n-0002cc50: 3436 2e30 352c 2d37 3937 2e32 3343 3331 46.05,-797.23C31\n-0002cc60: 3639 2e32 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7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0002d010: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0002d020: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0002d030: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0002d040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002d050: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......\n-0002d210: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0002d220: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-0002d230: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-0002d240: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002d250: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-0002d260: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....<\n-0002d390: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002d3a0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0002d3b0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0002d3c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002d3d0: 5f74 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 _topology -->..module_src_gr\n-0002d410: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-0002d420: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-0002d430: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002d440: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n-0002d450: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modul\n-0002d630: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0002d640: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0002d650: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002d660: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-0002d670: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0002d680: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0002d690: 2362 6662 6662 6622 2064 3d22 4d33 3037 #bfbfbf\" d=\"M307\n-0002d6a0: 392e 3935 2c2d 3737 362e 3537 4333 3030 9.95,-776.57C300\n-0002d6b0: 392e 352c 2d37 3637 2e34 3720 3238 3836 9.5,-767.47 2886\n-0002d6c0: 2e33 382c 2d37 3530 2e30 3420 3238 3434 .38,-750.04 2844\n-0002d6d0: 2c2d 3733 342e 3434 2032 3832 322e 3134 ,-734.44 2822.14\n-0002d6e0: 2c2d 3732 362e 3339 2032 3832 302e 3737 ,-726.39 2820.77\n-0002d6f0: 2c2d 3731 352e 3835 2032 3739 392c 2d37 ,-715.85 2799,-7\n-0002d700: 3037 2e35 3720 3236 3032 2e30 362c 2d36 07.57 2602.06,-6\n-0002d710: 3332 2e37 2032 3334 372e 3837 2c2d 3630 32.7 2347.87,-60\n-0002d720: 362e 3436 2032 3235 322e 3935 2c2d 3539 6.46 2252.95,-59\n-0002d730: 382e 3922 2f3e 0a3c 706f 6c79 676f 6e20 8.9\"/>.<polygon \n-0002d740: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-0002d750: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-0002d760: 706f 696e 7473 3d22 3232 3532 2e39 342c points=\"2252.94,\n-0002d770: 2d35 3935 2e33 3920 3232 3432 2e37 2c2d -595.39 2242.7,-\n-0002d780: 3539 382e 3131 2032 3235 322e 342c 2d36 598.11 2252.4,-6\n-0002d790: 3032 2e33 3720 3232 3532 2e39 342c 2d35 02.37 2252.94,-5\n-0002d7a0: 3935 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 95.39\"/>.</g>.<!\n-0002d7b0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0002d7c0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-0002d7d0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-0002d7e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002d7f0: 6861 7264 7761 7265 202d 2d3e 0a3c 6720 hardware -->.<g \n-0002d800: 6964 3d22 6564 6765 3330 3822 2063 6c61 id=\"edge308\" cla\n-0002d810: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0002d820: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0002d830: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0002d840: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0002d850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-0002d860: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-0002d870: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-0002d930: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n-0002da20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002da30: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n-0002da40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002da50: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n-0002da60: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g...\n-0002db90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n-0002dc10: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-0002dc20: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-0002dc30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002dc40: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-0002dc50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002dc60: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0002dc70: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0002dc80: 6179 3d22 352c 3222 2064 3d22 4d33 3038 ay=\"5,2\" d=\"M308\n-0002dc90: 322e 3833 2c2d 3737 352e 3537 4333 3032 2.83,-775.57C302\n-0002dca0: 322e 3334 2c2d 3736 362e 3333 2032 3931 2.34,-766.33 291\n-0002dcb0: 352e 342c 2d37 3439 2e37 3720 3238 3234 5.4,-749.77 2824\n-0002dcc0: 2c2d 3733 342e 3434 2032 3831 342e 372c ,-734.44 2814.7,\n-0002dcd0: 2d37 3332 2e38 3820 3238 3034 2e37 322c -732.88 2804.72,\n-0002dce0: 2d37 3331 2e31 3520 3237 3935 2e32 392c -731.15 2795.29,\n-0002dcf0: 2d37 3239 2e34 3822 2f3e 0a3c 706f 6c79 -729.48\"/>..\n-0002dd70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-0002ddf0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0002de00: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0002de10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0002de20: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald....<\n-0002df10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002df20: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0002df30: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0002df40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002df50: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720 _utility -->..module_src_gro\n-0002df90: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0002dfa0: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0002dfb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-0002dfc0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-0002dfd0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002dfe0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0002dff0: 2220 643d 224d 3331 3432 2e33 382c 2d37 \" d=\"M3142.38,-7\n-0002e000: 3730 2e34 4333 3137 362e 3936 2c2d 3733 70.4C3176.96,-73\n-0002e010: 312e 3533 2033 3238 302e 3631 2c2d 3630 1.53 3280.61,-60\n-0002e020: 372e 3734 2033 3331 362c 2d34 3832 2e39 7.74 3316,-482.9\n-0002e030: 3620 3333 3536 2e36 2c2d 3333 392e 3832 6 3356.6,-339.82\n-0002e040: 2033 3237 302e 3239 2c2d 3235 342e 3138 3270.29,-254.18\n-0002e050: 2033 3133 302c 2d32 3034 2e36 3120 3330 3130,-204.61 30\n-0002e060: 3337 2e39 2c2d 3137 322e 3037 2031 3530 37.9,-172.07 150\n-0002e070: 382e 3137 2c2d 3135 382e 3536 2031 3234 8.17,-158.56 124\n-0002e080: 342e 3534 2c2d 3135 362e 3437 222f 3e0a 4.54,-156.47\"/>.\n-0002e090: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n+00024020: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+00024030: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+00024040: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00024050: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+00024060: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory......m\n+000241f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024200: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00024210: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00024220: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n+00024230: 6375 7469 6c3c 2f74 6974 6c65 3e0a 3c70 cutil......module_src_gro\n+000243f0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00024400: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00024410: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024420: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n+00024430: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n+00024550: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+000247a0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+000247b0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+000247c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000247d0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+000247e0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils.\n+000248f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n+000249e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000249f0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00024a00: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00024a10: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00024a20: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.....<\n+00024bb0: 6720 6964 3d22 6564 6765 3232 3722 2063 g id=\"edge227\" c\n+00024bc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00024be0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00024bf0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00024c00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024c10: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n+00024c20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00024e20: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+00024e30: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+00024e40: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00024e50: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces......module_src_gr\n+00025030: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n+00025040: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n+00025050: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025060: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib...\n+000251e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+00025230: 3c67 2069 643d 2265 6467 6532 3337 2220 .module_src_\n+00025260: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+00025270: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n+00025280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025290: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology......mod\n+00025430: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025440: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+00025450: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025460: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+00025470: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re......m\n+000255c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000255d0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+000255e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000255f0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00025600: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing......m\n+000257d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000257e0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+000257f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00025800: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00025810: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec....<\n+000259f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00025a00: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00025a10: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+00025a20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025a30: 5f65 7761 6c64 202d 2d3e 0a3c 6720 6964 _ewald -->..\n+00025a60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025a70: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00025a80: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00025a90: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00025aa0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld......modu\n+00025c00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00025c10: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+00025c20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00025c30: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+00025c40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+00025e50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025e60: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+00025e70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00025e80: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00025e90: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+00025ea0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+00025f50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00025f60: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00025f70: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00025f80: 3135 3038 2e31 372c 2d35 3131 2e36 3320 1508.17,-511.63 \n+00025f90: 3135 3031 2e34 382c 2d35 3139 2e38 3520 1501.48,-519.85 \n+00025fa0: 3135 3131 2e38 342c 2d35 3137 2e35 3920 1511.84,-517.59 \n+00025fb0: 3135 3038 2e31 372c 2d35 3131 2e36 3322 1508.17,-511.63\"\n+00025fc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module\n+00026040: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00026050: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00026060: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026070: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+00026080: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00026090: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000260a0: 2362 6662 6662 6622 2064 3d22 4d31 3638 #bfbfbf\" d=\"M168\n+000260b0: 312e 3834 2c2d 3431 372e 3639 4331 3634 1.84,-417.69C164\n+000260c0: 382e 3338 2c2d 3432 372e 3320 3135 3936 8.38,-427.3 1596\n+000260d0: 2e36 352c 2d34 3432 2e33 3420 3135 3532 .65,-442.34 1552\n+000260e0: 2c2d 3435 362e 3039 2031 3430 392e 392c ,-456.09 1409.9,\n+000260f0: 2d34 3939 2e38 3420 3133 3637 2e32 392c -499.84 1367.29,\n+00026100: 2d35 3031 2e37 3820 3132 3432 2c2d 3538 -501.78 1242,-58\n+00026110: 312e 3833 2031 3230 322e 342c 2d36 3037 1.83 1202.4,-607\n+00026120: 2e31 3320 3131 3934 2e31 392c 2d36 3135 .13 1194.19,-615\n+00026130: 2e39 3820 3131 3537 2c2d 3634 342e 3720 .98 1157,-644.7 \n+00026140: 3130 3838 2e39 362c 2d36 3937 2e32 3520 1088.96,-697.25 \n+00026150: 3130 3634 2e34 312c 2d37 3033 2e38 3720 1064.41,-703.87 \n+00026160: 3130 3130 2c2d 3737 302e 3434 2039 3936 1010,-770.44 996\n+00026170: 2e32 372c 2d37 3837 2e32 3420 3938 332e .27,-787.24 983.\n+00026180: 3839 2c2d 3830 382e 3636 2039 3735 2e36 89,-808.66 975.6\n+00026190: 2c2d 3832 342e 3335 222f 3e0a 3c70 6f6c ,-824.35\"/>.<pol\n+000261a0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+000261b0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+000261c0: 6662 6622 2070 6f69 6e74 733d 2239 3732 fbf\" points=\"972\n+000261d0: 2e34 372c 2d38 3232 2e38 2039 3731 2c2d .47,-822.8 971,-\n+000261e0: 3833 332e 3239 2039 3738 2e36 392c 2d38 833.29 978.69,-8\n+000261f0: 3236 2e30 3120 3937 322e 3437 2c2d 3832 26.01 972.47,-82\n+00026200: 322e 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 2.8\"/>.</g>.<!--\n+00026210: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00026220: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+00026230: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+00026240: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+00026250: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069 u_utils -->.<g i\n+00026260: 643d 2265 6467 6532 3331 2220 636c 6173 d=\"edge231\" clas\n+00026270: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00026280: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00026290: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+000262a0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+000262b0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+000262c0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n+000262d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+000264c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000264d0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+000264e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000264f0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00026500: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...\n+00026750: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+000267d0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000267e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000267f0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00026800: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io......mo\n+00026960: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00026970: 5f6d 6472 756e 7574 696c 6974 7926 2334 _mdrunutility\n+00026980: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00026990: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+000269a0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e.....<\n+00026d10: 6720 6964 3d22 6564 6765 3234 3222 2063 g id=\"edge242\" c\n+00026d20: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00026d40: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00026d50: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+00026d60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+00026d70: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00026d80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00026d90: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00026da0: 2220 643d 224d 3134 3838 2e33 372c 2d35 \" d=\"M1488.37,-5\n+00026db0: 3436 2e30 3143 3134 3932 2e34 2c2d 3535 46.01C1492.4,-55\n+00026dc0: 352e 3720 3134 3937 2e39 2c2d 3536 392e 5.7 1497.9,-569.\n+00026dd0: 3439 2031 3530 322c 2d35 3831 2e38 3320 49 1502,-581.83 \n+00026de0: 3135 3335 2e39 322c 2d36 3833 2e39 3420 1535.92,-683.94 \n+00026df0: 3135 3439 2e39 382c 2d39 3736 2e38 3720 1549.98,-976.87 \n+00026e00: 3136 3330 2c2d 3130 3438 2e37 3920 3136 1630,-1048.79 16\n+00026e10: 3632 2e34 2c2d 3130 3737 2e39 3120 3139 62.4,-1077.91 19\n+00026e20: 3733 2e37 332c 2d31 3130 362e 3631 2032 73.73,-1106.61 2\n+00026e30: 3031 372c 2d31 3131 312e 3636 2032 3235 017,-1111.66 225\n+00026e40: 392e 3534 2c2d 3131 3339 2e39 3720 3235 9.54,-1139.97 25\n+00026e50: 3532 2e39 372c 2d31 3135 342e 3136 2032 52.97,-1154.16 2\n+00026e60: 3635 362e 3535 2c2d 3131 3538 2e35 3622 656.55,-1158.56\"\n+00026e70: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />...\n+00026ef0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+00026f60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026f70: 6373 5f6d 6472 756e 7574 696c 6974 7926 cs_mdrunutility&\n+00026f80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00026f90: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+00026fa0: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g......module_src_gro\n+00027190: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+000271a0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+000271b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+000271c0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..<\n+00027230: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+00027240: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+00027250: 706f 696e 7473 3d22 3231 3131 2e31 322c points=\"2111.12,\n+00027260: 2d34 3737 2e33 3720 3231 3230 2e37 372c -477.37 2120.77,\n+00027270: 2d34 3733 2e30 3220 3231 3130 2e35 312c -473.02 2110.51,\n+00027280: 2d34 3730 2e34 2032 3131 312e 3132 2c2d -470.4 2111.12,-\n+00027290: 3437 372e 3337 222f 3e0a 3c2f 673e 0a3c 477.37\"/>..<\n+000272a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000272b0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+000272c0: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+000272d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000272e0: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d mxlib -->..m\n+00027310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00027320: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+00027330: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00027340: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00027350: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+000274d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000274e0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+000274f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00027500: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00027510: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_grom\n+00027780: 6163 735f 7369 6d64 2623 3435 3b26 6774 acs_simd->\n+00027790: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000277a0: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware..\n+00027890: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00027900: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00027910: 735f 7369 6d64 2623 3435 3b26 6774 3b6d s_simd->m\n+00027920: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00027930: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n+00027940: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00027950: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00027960: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00027970: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00027980: 3630 352e 3332 2c2d 3136 372e 3131 4335 605.32,-167.11C5\n+00027990: 3837 2e30 392c 2d31 3832 2e39 3420 3535 87.09,-182.94 55\n+000279a0: 392e 3136 2c2d 3231 322e 3432 2035 3738 9.16,-212.42 578\n+000279b0: 2c2d 3233 312e 3438 2036 3037 2e39 372c ,-231.48 607.97,\n+000279c0: 2d32 3631 2e38 2033 3630 342e 3433 2c2d -261.8 3604.43,-\n+000279d0: 3236 352e 3137 2033 3634 372c 2d32 3637 265.17 3647,-267\n+000279e0: 2e34 3820 3336 3735 2e37 372c 2d32 3639 .48 3675.77,-269\n+000279f0: 2e30 3420 3337 3038 2e30 372c 2d32 3732 .04 3708.07,-272\n+00027a00: 2e31 3920 3337 3333 2e30 322c 2d32 3734 .19 3733.02,-274\n+00027a10: 2e39 3322 2f3e 0a3c 706f 6c79 676f 6e20 .93\"/>.<polygon \n+00027a20: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+00027a30: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+00027a40: 706f 696e 7473 3d22 3337 3332 2e39 312c points=\"3732.91,\n+00027a50: 2d32 3738 2e34 3420 3337 3433 2e32 332c -278.44 3743.23,\n+00027a60: 2d32 3736 2e30 3720 3337 3333 2e36 382c -276.07 3733.68,\n+00027a70: 2d32 3731 2e34 3820 3337 3332 2e39 312c -271.48 3732.91,\n+00027a80: 2d32 3738 2e34 3422 2f3e 0a3c 2f67 3e0a -278.44\"/>.</g>.\n+00027a90: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00027aa0: 6772 6f6d 6163 735f 7369 6d64 2623 3435 gromacs_simd-\n+00027ab0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00027ac0: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n+00027ad0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00027ae0: 3439 2220 636c 6173 733d 2265 6467 6522 49\" class=\"edge\"\n+00027af0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00027b00: 7372 635f 6772 6f6d 6163 735f 7369 6d64 src_gromacs_simd\n+00027b10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00027b20: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+00027b30: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....\n+00027d40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+00028220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00028230: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+00028240: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+00028250: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n+00028260: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions.....<\n+000284a0: 6720 6964 3d22 6564 6765 3235 3422 2063 g id=\"edge254\" c\n+000284b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000284d0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+000284e0: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000284f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00028500: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+00028510: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+000286c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000286d0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+000286e0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000286f0: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n+00028700: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics.\n+00028710: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00028810: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00028820: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00028830: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+00028840: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00028850: 6d61 6373 5f75 7469 6c69 7479 202d 2d3e macs_utility -->\n+00028860: 0a3c 6720 6964 3d22 6564 6765 3235 3722 ..<\n+00028880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00028890: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+000288a0: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+000288b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000288c0: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility...\n+000289f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+00028a70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00028a80: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+00028a90: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+00028aa0: 655f 7372 635f 6772 6f6d 6163 735f 616e e_src_gromacs_an\n+00028ab0: 616c 7973 6973 6461 7461 3c2f 7469 746c alysisdata</titl\n+00028ac0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00028ad0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00028ae0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00028af0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00028b00: 4d32 3938 372e 3834 2c2d 3133 3336 2e33 M2987.84,-1336.3\n+00028b10: 3943 3330 3130 2e33 352c 2d31 3331 342e 9C3010.35,-1314.\n+00028b20: 3820 3330 3537 2e30 372c 2d31 3236 392e 8 3057.07,-1269.\n+00028b30: 3939 2033 3038 332e 3839 2c2d 3132 3434 99 3083.89,-1244\n+00028b40: 2e32 3522 2f3e 0a3c 706f 6c79 676f 6e20 .25\"/>.<polygon \n+00028b50: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00028b60: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" 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6e61 6c79 7369 7326 jectoryanalysis&\n+00028c60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00028c70: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+00028c80: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a......\n+00028dd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00028de0: 6373 5f63 6f6f 7264 696e 6174 6569 6f3c cs_coordinateio<\n+00028df0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+00028e00: 5f6e 6f64 6533 3822 3e3c 6120 786c 696e _node38\"><a xlin\n+00028e10: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+00028e20: 6f64 756c 655f 5f63 6f6f 7264 696e 6174 odule__coordinat\n+00028e30: 6569 6f2e 7868 746d 6c22 2074 6172 6765 eio.xhtml\" targe\n+00028e40: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+00028e50: 6974 6c65 3d22 636f 6f72 6469 6e61 7465 itle=\"coordinate\n+00028e60: 696f 223e 0a3c 656c 6c69 7073 6520 6669 io\">.<ellipse fi\n+00028e70: 6c6c 3d22 2366 6663 6363 6322 2073 7472 ll=\"#ffcccc\" str\n+00028e80: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+00028e90: 3334 3833 2220 6379 3d22 2d31 3238 362e 3483\" cy=\"-1286.\n+00028ea0: 3834 2220 7278 3d22 3438 2e35 3822 2072 84\" rx=\"48.58\" r\n+00028eb0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00028ec0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00028ed0: 6964 646c 6522 2078 3d22 3334 3833 2220 iddle\" x=\"3483\" \n+00028ee0: 793d 222d 3132 3834 2e33 3422 2066 6f6e y=\"-1284.34\" fon\n+00028ef0: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+00028f00: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+00028f10: 302e 3030 223e 636f 6f72 6469 6e61 7465 0.00\">coordinate\n+00028f20: 696f 3c2f 7465 7874 3e0a 3c2f 613e 0a3c io</text>.</a>.<\n+00028f30: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>.</g>.<!-- mo\n+00028f40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00028f50: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n+00028f60: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+00028f70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00028f80: 6f6f 7264 696e 6174 6569 6f20 2d2d 3e0a oordinateio -->.\n+00028f90: 3c67 2069 643d 2265 6467 6532 3630 2220 <g id=\"edge260\" \n+00028fa0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00028fb0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00028fc0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00028fd0: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+00028fe0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00028ff0: 6f6d 6163 735f 636f 6f72 6469 6e61 7465 omacs_coordinate\n+00029000: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io......m\n+00029180: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00029190: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n+000291a0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+000291b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000291c0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+000291d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000291e0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000291f0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00029200: 3d22 352c 3222 2064 3d22 4d32 3937 312e =\"5,2\" d=\"M2971.\n+00029210: 3532 2c2d 3133 3336 2e30 3743 3239 3637 52,-1336.07C2967\n+00029220: 2e33 2c2d 3133 3231 2e30 3120 3239 3539 .3,-1321.01 2959\n+00029230: 2e37 362c 2d31 3239 352e 3136 2032 3935 .76,-1295.16 295\n+00029240: 322c 2d31 3237 332e 3420 3239 3133 2e37 2,-1273.4 2913.7\n+00029250: 382c 2d31 3136 362e 3138 2032 3835 352c 8,-1166.18 2855,\n+00029260: 2d31 3135 302e 3139 2032 3835 352c 2d31 -1150.19 2855,-1\n+00029270: 3033 362e 3336 2032 3835 352c 2d31 3033 036.36 2855,-103\n+00029280: 362e 3336 2032 3835 352c 2d31 3033 362e 6.36 2855,-1036.\n+00029290: 3336 2032 3835 352c 2d39 3038 2e36 3220 36 2855,-908.62 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romacs_trajector\n+00029460: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...<\n+000295d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00029650: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00029660: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+00029670: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00029680: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n+00029690: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til......modul\n+000298b0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+000298c0: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+000298d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000298e0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+000298f0: 7265 7072 6f63 6573 733c 2f74 6974 6c65 reprocess</title\n+00029900: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00029910: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00029920: 6332 3822 2073 7472 6f6b 652d 6461 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2036.29,\n+00029a10: 2d31 3437 312e 3438 2032 3033 362e 332c -1471.48 2036.3,\n+00029a20: 2d31 3437 382e 3438 222f 3e0a 3c2f 673e -1478.48\"/>.</g>\n+00029a30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00029a40: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+00029a50: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+00029a60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00029a70: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+00029a80: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00029a90: 3235 3322 2063 6c61 7373 3d22 6564 6765 253\" class=\"edge\n+00029aa0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00029ab0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00029ac0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00029ad0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00029ae0: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+00029af0: 7469 6f6e 3c2f 7469 746c 653e 0a3c 7061 tion......module_src_gr\n+00029d10: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00029d20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00029d30: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00029d40: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces..<\n+00029e60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00029e70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00029e80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00029e90: 3131 3732 2e35 352c 2d39 3332 2e33 2031 1172.55,-932.3 1\n+00029ea0: 3136 372e 3138 2c2d 3932 332e 3137 2031 167.18,-923.17 1\n+00029eb0: 3136 352e 3639 2c2d 3933 332e 3636 2031 165.69,-933.66 1\n+00029ec0: 3137 322e 3535 2c2d 3933 322e 3322 2f3e 172.55,-932.3\"/>\n+00029ed0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00029f40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00029f50: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00029f60: 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2d31 3335 372e 9 1592.34,-1357.\n+0002a050: 3536 2031 3539 322e 3936 2c2d 3133 3530 56 1592.96,-1350\n+0002a060: 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .59\"/>.</g>.<!--\n+0002a070: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0002a080: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0002a090: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002a0a0: 6f6d 6163 735f 746f 706f 6c6f 6779 202d omacs_topology -\n+0002a0b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236 ->.<g id=\"edge26\n+0002a0c0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+0002a0d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0002a0e0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0002a0f0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0002a100: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n+0002a110: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c70 ology.....<\n+0002a280: 6720 6964 3d22 6564 6765 3237 3522 2063 g id=\"edge275\" c\n+0002a290: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002a2b0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0002a2c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002a2d0: 5f67 726f 6d61 6373 5f6c 696e 6561 7261 _gromacs_lineara\n+0002a2e0: 6c67 6562 7261 3c2f 7469 746c 653e 0a3c lgebra.<\n+0002a2f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002a300: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0002a310: 2220 643d 224d 3232 3730 2e33 382c 2d31 \" d=\"M2270.38,-1\n+0002a320: 3431 312e 3039 4332 3436 322e 332c 2d31 411.09C2462.3,-1\n+0002a330: 3430 382e 3332 2033 3337 342e 3431 2c2d 408.32 3374.41,-\n+0002a340: 3133 3933 2e36 3620 3334 3936 2c2d 3133 1393.66 3496,-13\n+0002a350: 3633 2e31 3420 3337 3432 2e36 352c 2d31 63.14 3742.65,-1\n+0002a360: 3330 312e 3233 2033 3931 352c 2d31 3232 301.23 3915,-122\n+0002a370: 372e 3739 2033 3931 352c 2d39 3733 2e34 7.79 3915,-973.4\n+0002a380: 3920 3339 3135 2c2d 3937 332e 3439 2033 9 3915,-973.49 3\n+0002a390: 3931 352c 2d39 3733 2e34 3920 3339 3135 915,-973.49 3915\n+0002a3a0: 2c2d 3732 302e 3031 2033 3931 352c 2d36 ,-720.01 3915,-6\n+0002a3b0: 3336 2e35 3920 3339 3335 2c2d 3631 362e 36.59 3935,-616.\n+0002a3c0: 3831 2033 3933 352c 2d35 3333 2e34 2033 81 3935,-533.4 3\n+0002a3d0: 3933 352c 2d35 3333 2e34 2033 3933 352c 935,-533.4 3935,\n+0002a3e0: 2d35 3333 2e34 2033 3933 352c 2d31 3534 -533.4 3935,-154\n+0002a3f0: 2e31 3820 3339 3335 2c2d 3132 302e 3035 .18 3935,-120.05\n+0002a400: 2033 3934 342e 3534 2c2d 3130 322e 3538 3944.54,-102.58\n+0002a410: 2033 3932 302c 2d37 382e 3837 2033 3838 3920,-78.87 388\n+0002a420: 372e 3132 2c2d 3437 2e31 2033 3736 302e 7.12,-47.1 3760.\n+0002a430: 3035 2c2d 3336 2e31 3320 3336 3833 2e35 05,-36.13 3683.5\n+0002a440: 2c2d 3332 2e33 3722 2f3e 0a3c 706f 6c79 ,-32.37\"/>...<\n+0002a4c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002a4d0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0002a4e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002a4f0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+0002a500: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+0002a530: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0002a540: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0002a550: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0002a560: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio....\n+0002a680: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+0002a6f0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002a700: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+0002a710: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002a720: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+0002a730: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0002a900: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+0002a970: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0002a980: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0002a990: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0002a9a0: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan..\n+0002ab00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+0002ab70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002ab80: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n+0002ab90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002aba0: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft....\n+0002add0: 0a3c 6720 6964 3d22 6564 6765 3236 3522 ..<\n+0002adf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002ae00: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0002ae10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002ae20: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0002ae30: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+0002ae40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002ae50: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+0002ae60: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0002ae70: 3d22 352c 3222 2064 3d22 4d32 3236 342e =\"5,2\" d=\"M2264.\n+0002ae80: 3238 2c2d 3134 3034 2e38 3943 3233 3130 28,-1404.89C2310\n+0002ae90: 2e32 322c 2d31 3339 322e 3732 2032 3339 .22,-1392.72 239\n+0002aea0: 382e 3239 2c2d 3133 3632 2e32 3720 3234 8.29,-1362.27 24\n+0002aeb0: 3430 2c2d 3133 3030 2e32 3720 3234 3632 40,-1300.27 2462\n+0002aec0: 2e34 2c2d 3132 3636 2e39 3720 3234 3432 .4,-1266.97 2442\n+0002aed0: 2e33 382c 2d31 3234 392e 3933 2032 3435 .38,-1249.93 245\n+0002aee0: 302c 2d31 3231 302e 3533 2032 3435 332e 0,-1210.53 2453.\n+0002aef0: 3135 2c2d 3131 3934 2e32 3320 3234 3536 15,-1194.23 2456\n+0002af00: 2e30 352c 2d31 3139 302e 3636 2032 3436 .05,-1190.66 246\n+0002af10: 302c 2d31 3137 342e 3533 2032 3438 302e 0,-1174.53 2480.\n+0002af20: 3337 2c2d 3130 3931 2e33 2032 3438 322e 37,-1091.3 2482.\n+0002af30: 3835 2c2d 3130 3639 2e38 3820 3235 3030 85,-1069.88 2500\n+0002af40: 2c2d 3938 352e 3932 2032 3531 332e 3834 ,-985.92 2513.84\n+0002af50: 2c2d 3931 382e 3220 3235 3132 2e34 362c ,-918.2 2512.46,\n+0002af60: 2d39 3030 2e31 3720 3235 3330 2c2d 3833 -900.17 2530,-83\n+0002af70: 332e 3331 2032 3533 322e 3238 2c2d 3832 3.31 2532.28,-82\n+0002af80: 342e 3634 2032 3533 352e 3235 2c2d 3831 4.64 2535.25,-81\n+0002af90: 352e 3235 2032 3533 382e 3032 2c2d 3830 5.25 2538.02,-80\n+0002afa0: 372e 3037 222f 3e0a 3c70 6f6c 7967 6f6e 7.07\"/>.....modul\n+0002b090: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002b0a0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+0002b0b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b0c0: 7374 6174 6973 7469 6373 3c2f 7469 746c statistics</titl\n+0002b0d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0002b0e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0002b0f0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0002b100: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0002b110: 4d32 3236 392e 3238 2c2d 3134 3039 2e30 M2269.28,-1409.0\n+0002b120: 3143 3233 3432 2e32 332c 2d31 3430 332e 1C2342.23,-1403.\n+0002b130: 3133 2032 3531 302e 3433 2c2d 3133 3837 13 2510.43,-1387\n+0002b140: 2e33 3420 3235 3632 2c2d 3133 3633 2e31 .34 2562,-1363.1\n+0002b150: 3420 3235 3738 2e32 2c2d 3133 3535 2e35 4 2578.2,-1355.5\n+0002b160: 3420 3235 3736 2e32 342c 2d31 3334 342e 4 2576.24,-1344.\n+0002b170: 3736 2032 3539 322c 2d31 3333 362e 3237 76 2592,-1336.27\n+0002b180: 2032 3630 342e 3632 2c2d 3133 3239 2e34 2604.62,-1329.4\n+0002b190: 3820 3236 3834 2e36 392c 2d31 3330 392e 8 2684.69,-1309.\n+0002b1a0: 3634 2032 3733 342e 3936 2c2d 3132 3937 64 2734.96,-1297\n+0002b1b0: 2e35 3622 2f3e 0a3c 706f 6c79 676f 6e20 .56\"/>.<polygon \n+0002b1c0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0002b1d0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0002b1e0: 706f 696e 7473 3d22 3237 3335 2e39 382c points=\"2735.98,\n+0002b1f0: 2d31 3330 302e 3931 2032 3734 342e 3839 -1300.91 2744.89\n+0002b200: 2c2d 3132 3935 2e31 3820 3237 3334 2e33 ,-1295.18 2734.3\n+0002b210: 352c 2d31 3239 342e 3131 2032 3733 352e 5,-1294.11 2735.\n+0002b220: 3938 2c2d 3133 3030 2e39 3122 2f3e 0a3c 98,-1300.91\"/>.<\n+0002b230: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0002b240: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0002b250: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0002b260: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+0002b270: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n+0002b280: 2265 6467 6532 3639 2220 636c 6173 733d \"edge269\" class=\n+0002b290: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0002b2a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002b2b0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0002b2c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002b2d0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+0002b2e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0002b2f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0002b300: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0002b310: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0002b320: 224d 3232 3730 2e34 2c2d 3134 3130 2e37 \"M2270.4,-1410.7\n+0002b330: 3443 3233 3334 2e32 312c 2d31 3430 382e 4C2334.21,-1408.\n+0002b340: 3333 2032 3437 322e 3135 2c2d 3133 3939 33 2472.15,-1399\n+0002b350: 2e30 3520 3235 3832 2c2d 3133 3633 2e31 .05 2582,-1363.1\n+0002b360: 3420 3236 3035 2e39 382c 2d31 3335 352e 4 2605.98,-1355.\n+0002b370: 3320 3236 3038 2e32 312c 2d31 3334 342e 3 2608.21,-1344.\n+0002b380: 3635 2032 3633 322c 2d31 3333 362e 3237 65 2632,-1336.27\n+0002b390: 2032 3731 342e 332c 2d31 3330 372e 3237 2714.3,-1307.27\n+0002b3a0: 2032 3736 392e 3234 2c2d 3133 3637 2e33 2769.24,-1367.3\n+0002b3b0: 3920 3238 3235 2c2d 3133 3030 2e32 3720 9 2825,-1300.27 \n+0002b3c0: 3238 3635 2e30 352c 2d31 3235 322e 3035 2865.05,-1252.05\n+0002b3d0: 2032 3737 332e 3731 2c2d 3131 3939 2e31 2773.71,-1199.1\n+0002b3e0: 3620 3237 3234 2e32 2c2d 3131 3735 2e32 6 2724.2,-1175.2\n+0002b3f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0002b400: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+0002b410: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+0002b420: 6e74 733d 2232 3732 352e 3434 2c2d 3131 nts=\"2725.44,-11\n+0002b430: 3731 2e39 3120 3237 3134 2e39 2c2d 3131 71.91 2714.9,-11\n+0002b440: 3730 2e38 2032 3732 322e 3434 2c2d 3131 70.8 2722.44,-11\n+0002b450: 3738 2e32 3420 3237 3235 2e34 342c 2d31 78.24 2725.44,-1\n+0002b460: 3137 312e 3931 222f 3e0a 3c2f 673e 0a3c 171.91\"/>.</g>.<\n+0002b470: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002b480: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0002b490: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002b4a0: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n+0002b4b0: 7469 6f6e 6675 6e63 7469 6f6e 7320 2d2d tionfunctions --\n+0002b4c0: 3e0a 3c67 2069 643d 2265 6467 6532 3730 >.<g id=\"edge270\n+0002b4d0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0002b4e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0002b4f0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+0002b500: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002b510: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n+0002b520: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n+0002b530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+0002b6e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002b6f0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0002b700: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002b710: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+0002b720: 616c 7973 6973 3c2f 7469 746c 653e 0a3c alysis.<\n+0002b730: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002b740: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0002b750: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0002b760: 6179 3d22 352c 3222 2064 3d22 4d32 3236 ay=\"5,2\" d=\"M226\n+0002b770: 392e 3034 2c2d 3134 3038 2e35 3243 3233 9.04,-1408.52C23\n+0002b780: 3832 2e37 362c 2d31 3339 382e 3739 2032 82.76,-1398.79 2\n+0002b790: 3735 302e 3431 2c2d 3133 3638 2e35 3320 750.41,-1368.53 \n+0002b7a0: 3239 3035 2e32 382c 2d31 3335 362e 3131 2905.28,-1356.11\n+0002b7b0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>..\n+0002b830: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0002b8a0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0002b8b0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+0002b8c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b8d0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+0002b8e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002b8f0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+0002b900: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0002b910: 3d22 352c 3222 2064 3d22 4d32 3237 302e =\"5,2\" d=\"M2270.\n+0002b920: 3531 2c2d 3134 3131 2e30 3443 3234 3138 51,-1411.04C2418\n+0002b930: 2e30 342c 2d31 3430 382e 3538 2032 3937 .04,-1408.58 297\n+0002b940: 382e 3134 2c2d 3133 3937 2e31 2033 3034 8.14,-1397.1 304\n+0002b950: 392c 2d31 3336 332e 3134 2033 3131 372e 9,-1363.14 3117.\n+0002b960: 3033 2c2d 3133 3330 2e35 3420 3331 3335 03,-1330.54 3135\n+0002b970: 2e38 352c 2d31 3330 372e 3738 2033 3136 .85,-1307.78 316\n+0002b980: 332c 2d31 3233 372e 3420 3332 3034 2c2d 3,-1237.4 3204,-\n+0002b990: 3131 3331 2e31 3420 3330 3837 2e37 342c 1131.14 3087.74,\n+0002b9a0: 2d31 3231 342e 3139 2032 3937 302c 2d31 -1214.19 2970,-1\n+0002b9b0: 3034 382e 3739 2032 3934 362e 3437 2c2d 048.79 2946.47,-\n+0002b9c0: 3130 3135 2e37 3420 3238 3534 2e37 322c 1015.74 2854.72,\n+0002b9d0: 2d37 3435 2e33 3820 3238 3430 2c2d 3730 -745.38 2840,-70\n+0002b9e0: 372e 3537 2032 3739 362e 3337 2c2d 3539 7.57 2796.37,-59\n+0002b9f0: 352e 3438 2032 3830 342e 3235 2c2d 3535 5.48 2804.25,-55\n+0002ba00: 372e 3737 2032 3734 302c 2d34 3536 2e30 7.77 2740,-456.0\n+0002ba10: 3920 3237 3333 2e32 342c 2d34 3435 2e33 9 2733.24,-445.3\n+0002ba20: 3920 3237 3233 2e39 362c 2d34 3334 2e39 9 2723.96,-434.9\n+0002ba30: 3320 3237 3135 2e35 382c 2d34 3236 2e34 3 2715.58,-426.4\n+0002ba40: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>...\n+0002bb00: 0a3c 6720 6964 3d22 6564 6765 3237 3122 ..<\n+0002bb20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002bb30: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0002bb40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002bb50: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+0002bb60: 6374 6f72 793c 2f74 6974 6c65 3e0a 3c70 ctory...\n+0002bd00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+0002bd70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0002bd80: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+0002bd90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002bda0: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+0002bdb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+0002bfe0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0002bff0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0002c000: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0002c010: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0002c020: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib..<\n+0002c110: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0002c120: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0002c130: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0002c140: 3935 302e 3639 2c2d 3836 392e 3833 2039 950.69,-869.83 9\n+0002c150: 3534 2e33 322c 2d38 3539 2e38 3720 3934 54.32,-859.87 94\n+0002c160: 352e 3237 2c2d 3836 352e 3339 2039 3530 5.27,-865.39 950\n+0002c170: 2e36 392c 2d38 3639 2e38 3322 2f3e 0a3c .69,-869.83\"/>.<\n+0002c180: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+0002c1f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002c200: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0002c210: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002c220: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+0002c230: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0002c240: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0002c250: 6662 6662 6622 2064 3d22 4d32 3139 392e fbfbf\" d=\"M2199.\n+0002c260: 3838 2c2d 3134 3130 2e38 3243 3230 3237 88,-1410.82C2027\n+0002c270: 2e31 2c2d 3134 3037 2e30 3120 3132 3731 .1,-1407.01 1271\n+0002c280: 2e35 382c 2d31 3338 382e 3935 2031 3137 .58,-1388.95 117\n+0002c290: 302c 2d31 3336 332e 3134 2031 3039 352e 0,-1363.14 1095.\n+0002c2a0: 3737 2c2d 3133 3434 2e32 3820 3130 3135 77,-1344.28 1015\n+0002c2b0: 2c2d 3133 3634 2e34 3320 3130 3135 2c2d ,-1364.43 1015,-\n+0002c2c0: 3132 3837 2e38 3420 3130 3135 2c2d 3132 1287.84 1015,-12\n+0002c2d0: 3837 2e38 3420 3130 3135 2c2d 3132 3837 87.84 1015,-1287\n+0002c2e0: 2e38 3420 3130 3135 2c2d 3132 3232 2e39 .84 1015,-1222.9\n+0002c2f0: 3720 3130 3135 2c2d 3131 3632 2e31 2031 7 1015,-1162.1 1\n+0002c300: 3033 362e 3939 2c2d 3130 3932 2e38 3620 036.99,-1092.86 \n+0002c310: 3130 3439 2e35 322c 2d31 3035 382e 3335 1049.52,-1058.35\n+0002c320: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0002c330: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+0002c340: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+0002c350: 6e74 733d 2231 3035 322e 3836 2c2d 3130 nts=\"1052.86,-10\n+0002c360: 3539 2e33 3920 3130 3533 2e30 372c 2d31 59.39 1053.07,-1\n+0002c370: 3034 382e 3820 3130 3436 2e33 2c2d 3130 048.8 1046.3,-10\n+0002c380: 3536 2e39 3520 3130 3532 2e38 362c 2d31 56.95 1052.86,-1\n+0002c390: 3035 392e 3339 222f 3e0a 3c2f 673e 0a3c 059.39\"/>.</g>.<\n+0002c3a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002c3b0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0002c3c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002c3d0: 5f67 726f 6d61 6373 5f6d 6174 6820 2d2d _gromacs_math --\n+0002c3e0: 3e0a 3c67 2069 643d 2265 6467 6532 3830 >.<g id=\"edge280\n+0002c3f0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0002c400: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0002c410: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+0002c420: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002c430: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+0002c440: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0002c600: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+0002c650: 0a3c 6720 6964 3d22 6564 6765 3238 3322 ..<\n+0002c670: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002c680: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0002c690: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002c6a0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0002c6b0: 6564 5f66 6f72 6365 735f 6177 683c 2f74 ed_forces_awh...\n+0002c7c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n+0002c810: 0a3c 6720 6964 3d22 6564 6765 3239 3522 ..<\n+0002c830: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002c840: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0002c850: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+0002c860: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002c870: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+0002c880: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0002cb20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0002cb70: 3c67 2069 643d 2265 6467 6532 3937 2220 .module_src_\n+0002cba0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0002cbb0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0002cbc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002cbd0: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology..\n+0002cdb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n+0002cfd0: 3c67 2069 643d 2265 6467 6532 3838 2220 .module_src_\n+0002d000: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0002d010: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0002d020: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d030: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options..\n+0002d0c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+0002d130: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n+0002d5c0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0002d5d0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+0002d5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0002d5f0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline......module_src_gr\n+0002d7a0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0002d7b0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0002d7c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002d7d0: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald....\n+0002d950: 0a3c 6720 6964 3d22 6564 6765 3238 3922 ..<\n+0002d970: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002d980: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0002d990: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+0002d9a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002d9b0: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility...\n+0002db70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+0002dde0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002ddf0: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0002de00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002de10: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0002de20: 7265 7072 6f63 6573 733c 2f74 6974 6c65 reprocess</title\n+0002de30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002de40: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+0002de50: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+0002de60: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0002de70: 3331 3134 2e36 372c 2d34 3135 2e32 3243 3114.67,-415.22C\n+0002de80: 3332 3131 2e38 332c 2d34 3334 2e33 2033 3211.83,-434.3 3\n+0002de90: 3433 332e 3238 2c2d 3439 312e 3434 2033 433.28,-491.44 3\n+0002dea0: 3338 302c 2d36 3038 2e37 2033 3239 322e 380,-608.7 3292.\n+0002deb0: 3133 2c2d 3830 322e 3039 2033 3139 302e 13,-802.09 3190.\n+0002dec0: 3831 2c2d 3739 362e 3738 2033 3032 302c 81,-796.78 3020,\n+0002ded0: 2d39 3233 2e30 3520 3238 3637 2e37 342c -923.05 2867.74,\n+0002dee0: 2d31 3033 352e 3620 3237 3737 2e36 332c -1035.6 2777.63,\n+0002def0: 2d31 3030 302e 3920 3236 3538 2c2d 3131 -1000.9 2658,-11\n+0002df00: 3437 2e36 3620 3236 3434 2e35 372c 2d31 47.66 2644.57,-1\n+0002df10: 3136 342e 3133 2032 3634 312e 3832 2c2d 164.13 2641.82,-\n+0002df20: 3132 3234 2e34 3220 3236 3235 2c2d 3132 1224.42 2625,-12\n+0002df30: 3337 2e34 2032 3539 362e 312c 2d31 3235 37.4 2596.1,-125\n+0002df40: 392e 3720 3230 3037 2e33 362c 2d31 3239 9.7 2007.36,-129\n+0002df50: 372e 3038 2031 3937 312c 2d31 3330 302e 7.08 1971,-1300.\n+0002df60: 3237 2031 3932 302e 372c 2d31 3330 342e 27 1920.7,-1304.\n+0002df70: 3639 2031 3535 322e 3236 2c2d 3132 3939 69 1552.26,-1299\n+0002df80: 2e31 3820 3135 3138 2c2d 3133 3336 2e32 .18 1518,-1336.2\n+0002df90: 3720 3134 3839 2e34 372c 2d31 3336 372e 7 1489.47,-1367.\n+0002dfa0: 3136 2031 3531 332e 3434 2c2d 3134 3032 16 1513.44,-1402\n+0002dfb0: 2e30 3520 3135 3438 2c2d 3134 3236 2e30 .05 1548,-1426.0\n+0002dfc0: 3120 3135 3837 2e34 2c2d 3134 3533 2e33 1 1587.4,-1453.3\n+0002dfd0: 3220 3138 3937 2e37 2c2d 3134 3637 2e33 2 1897.7,-1467.3\n+0002dfe0: 3320 3230 3337 2e33 322c 2d31 3437 322e 3 2037.32,-1472.\n+0002dff0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0002e000: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n+0002e010: 6f6b 653d 2223 3263 6363 3238 2220 706f oke=\"#2ccc28\" po\n+0002e020: 696e 7473 3d22 3230 3337 2e33 362c 2d31 ints=\"2037.36,-1\n+0002e030: 3437 352e 3820 3230 3437 2e34 382c 2d31 475.8 2047.48,-1\n+0002e040: 3437 322e 3635 2032 3033 372e 3631 2c2d 472.65 2037.61,-\n+0002e050: 3134 3638 2e38 2032 3033 372e 3336 2c2d 1468.8 2037.36,-\n+0002e060: 3134 3735 2e38 222f 3e0a 3c2f 673e 0a3c 1475.8\"/>.</g>.<\n+0002e070: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002e080: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0002e090: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+0002e0a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002e0b0: 5f73 656c 6563 7469 6f6e 202d 2d3e 0a3c _selection -->.<\n+0002e0c0: 6720 6964 3d22 6564 6765 3239 3322 2063 g id=\"edge293\" c\n+0002e0d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0002e0e0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0002e0f0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0002e100: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n 0002e110: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002e120: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-0002e130: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0002e140: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0002e150: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069 utility -->.<g i\n-0002e160: 643d 2265 6467 6533 3135 2220 636c 6173 d=\"edge315\" clas\n-0002e170: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0002e180: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0002e190: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0002e1a0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-0002e1b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0002e1c0: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-0002e1d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0002e1e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0002e1f0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0002e200: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0002e210: 4d33 3132 342e 3236 2c2d 3739 372e 3531 M3124.26,-797.51\n-0002e220: 4333 3131 322e 3938 2c2d 3831 382e 3635 C3112.98,-818.65\n-0002e230: 2033 3039 302e 3137 2c2d 3836 312e 3432 3090.17,-861.42\n-0002e240: 2033 3037 362e 3337 2c2d 3838 372e 3239 3076.37,-887.29\n-0002e250: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0002e260: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0002e270: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0002e280: 6e74 733d 2233 3037 332e 3139 2c2d 3838 nts=\"3073.19,-88\n-0002e290: 352e 3833 2033 3037 312e 3537 2c2d 3839 5.83 3071.57,-89\n-0002e2a0: 362e 3320 3330 3739 2e33 362c 2d38 3839 6.3 3079.36,-889\n-0002e2b0: 2e31 3220 3330 3733 2e31 392c 2d38 3835 .12 3073.19,-885\n-0002e2c0: 2e38 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .83\"/>.</g>.<!--\n-0002e2d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0002e2e0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-0002e2f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002e300: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0002e310: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n-0002e320: 6467 6533 3230 2220 636c 6173 733d 2265 dge320\" class=\"e\n-0002e330: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0002e340: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002e350: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n-0002e360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002e370: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-0002e380: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0002e390: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0002e3a0: 3d22 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332c 2d31 343.2 2334.73,-1\n-0002e490: 3334 372e 3135 2032 3334 342e 3838 2c2d 347.15 2344.88,-\n-0002e4a0: 3133 3530 2e32 2032 3334 342e 3536 2c2d 1350.2 2344.56,-\n-0002e4b0: 3133 3433 2e32 222f 3e0a 3c2f 673e 0a3c 1343.2\"/>.</g>.<\n-0002e4c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002e4d0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-0002e4e0: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n-0002e4f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002e500: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d mxlib -->.<g id=\n-0002e510: 2265 6467 6533 3236 2220 636c 6173 733d \"edge326\" class=\n-0002e520: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0002e530: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002e540: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-0002e550: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002e560: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0002e570: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-0002e640: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n-0002e730: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002e740: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-0002e750: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002e760: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-0002e770: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re..<\n-0002e8f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0002e900: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0002e910: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0002e920: 3238 3331 2e35 322c 2d33 3031 2e33 3620 2831.52,-301.36 \n-0002e930: 3238 3233 2e36 392c 2d32 3934 2e32 3320 2823.69,-294.23 \n-0002e940: 3238 3235 2e33 362c 2d33 3034 2e36 3920 2825.36,-304.69 \n-0002e950: 3238 3331 2e35 322c 2d33 3031 2e33 3622 2831.52,-301.36\"\n-0002e960: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....modu\n-0002ebe0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0002ebf0: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-0002ec00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002ec10: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0002ec20: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......m\n-0002edf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002ee00: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-0002ee10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002ee20: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-0002ee30: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..\n-0002ef70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n-0002efc0: 0a3c 6720 6964 3d22 6564 6765 3332 3122 ..<\n-0002efe0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002eff0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0002f000: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-0002f010: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002f020: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n-0002f030: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-0002f120: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n-0002f390: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002f3a0: 7369 6d64 2623 3435 3b26 6774 3b6d 6f64 simd->mod\n-0002f3b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002f3c0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-0002f3d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0002f4b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-0002f520: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n-0002f530: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-0002f540: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-0002f550: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......module_src_gr\n-0002f720: 6f6d 6163 735f 7369 6d64 2623 3435 3b26 omacs_simd-&\n-0002f730: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002f740: 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5f67 le_src_gromacs_g\n-0002fa90: 6d78 7072 6570 726f 6365 7373 202d 2d3e mxpreprocess -->\n-0002faa0: 0a3c 6720 6964 3d22 6564 6765 3334 3322 .<g id=\"edge343\"\n-0002fab0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0002fac0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002fad0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-0002fae0: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n-0002faf0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002fb00: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0002fb10: 6365 7373 3c2f 7469 746c 653e 0a3c 7061 cess....<\n-0002fc50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002fc60: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0002fc70: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-0002fc80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0002fc90: 6d61 6373 5f73 656c 6563 7469 6f6e 202d macs_selection -\n-0002fca0: 2d3e 0a3c 6720 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223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00031820: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00031830: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-00031840: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00031850: 6d61 6373 5f70 6263 7574 696c 3c2f 7469 macs_pbcutil....\n-00031a00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-00031a70: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00031a80: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-00031a90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00031aa0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00031ab0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n-00031bf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-00031c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00031c70: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00031c80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00031c90: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-00031ca0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00031cb0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00031cc0: 6662 6622 2064 3d22 4d31 3532 322e 3234 fbf\" d=\"M1522.24\n-00031cd0: 2c2d 3136 3632 2e30 3543 3136 3438 2c2d ,-1662.05C1648,-\n-00031ce0: 3136 3538 2e32 3220 3230 3730 2e30 382c 1658.22 2070.08,\n-00031cf0: 2d31 3634 332e 3335 2032 3132 332c 2d31 -1643.35 2123,-1\n-00031d00: 3631 342e 3632 2032 3232 352e 3333 2c2d 614.62 2225.33,-\n-00031d10: 3135 3539 2e30 3720 3231 3834 2e38 342c 1559.07 2184.84,\n-00031d20: 2d31 3437 362e 3334 2032 3237 322c 2d31 -1476.34 2272,-1\n-00031d30: 3339 392e 3134 2032 3239 382e 3738 2c2d 399.14 2298.78,-\n-00031d40: 3133 3735 2e34 3220 3233 3137 2e38 372c 1375.42 2317.87,\n-00031d50: 2d31 3338 372e 3538 2032 3334 342c 2d31 -1387.58 2344,-1\n-00031d60: 3336 332e 3134 2032 3337 392e 3738 2c2d 363.14 2379.78,-\n-00031d70: 3133 3239 2e36 3620 3234 3034 2e36 382c 1329.66 2404.68,\n-00031d80: 2d31 3237 362e 3820 3234 3136 2e37 332c -1276.8 2416.73,\n-00031d90: 2d31 3234 372e 3131 222f 3e0a 3c70 6f6c -1247.11\"/>.<pol\n-00031da0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00031db0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00031dc0: 6662 6622 2070 6f69 6e74 733d 2232 3432 fbf\" points=\"242\n-00031dd0: 302e 3035 2c2d 3132 3438 2e32 3220 3234 0.05,-1248.22 24\n-00031de0: 3230 2e34 352c 2d31 3233 372e 3634 2032 20.45,-1237.64 2\n-00031df0: 3431 332e 3533 2c2d 3132 3435 2e36 3620 413.53,-1245.66 \n-00031e00: 3234 3230 2e30 352c 2d31 3234 382e 3232 2420.05,-1248.22\n-00031e10: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00031e20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00031e30: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00031e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00031e50: 6373 5f6d 6174 6820 2d2d 3e0a 3c67 2069 cs_math -->.<g i\n-00031e60: 643d 2265 6467 6533 3630 2220 636c 6173 d=\"edge360\" clas\n-00031e70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00031e80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00031e90: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00031ea0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00031eb0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n-00031ec0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00031ed0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00031ee0: 6266 6266 2220 643d 224d 3134 3531 2e37 bfbf\" d=\"M1451.7\n-00031ef0: 2c2d 3136 3633 2e33 3143 3132 3939 2e37 ,-1663.31C1299.7\n-00031f00: 312c 2d31 3636 342e 3039 2037 3030 2e37 1,-1664.09 700.7\n-00031f10: 312c 2d31 3636 332e 3932 2035 3230 2c2d 1,-1663.92 520,-\n-00031f20: 3136 3134 2e36 3220 3433 322e 3837 2c2d 1614.62 432.87,-\n-00031f30: 3135 3930 2e38 3520 3231 322e 3134 2c2d 1590.85 212.14,-\n-00031f40: 3134 3939 2e37 3620 3136 302c 2d31 3432 1499.76 160,-142\n-00031f50: 362e 3031 2038 352e 3036 2c2d 3133 3230 6.01 85.06,-1320\n-00031f60: 2e30 3120 3737 2c2d 3937 372e 3537 2037 .01 77,-977.57 7\n-00031f70: 372c 2d38 3437 2e37 3520 3737 2c2d 3834 7,-847.75 77,-84\n-00031f80: 372e 3735 2037 372c 2d38 3437 2e37 3520 7.75 77,-847.75 \n-00031f90: 3737 2c2d 3539 342e 3237 2037 372c 2d34 77,-594.27 77,-4\n-00031fa0: 3931 2e34 3220 3937 2e35 382c 2d32 3130 91.42 97.58,-210\n-00031fb0: 2e35 3720 3137 342c 2d31 3431 2e37 3420 .57 174,-141.74 \n-00031fc0: 3230 382e 3534 2c2d 3131 302e 3634 2033 208.54,-110.64 3\n-00031fd0: 3435 2e36 312c 2d39 382e 3935 2034 3132 45.61,-98.95 412\n-00031fe0: 2e32 352c 2d39 352e 3035 222f 3e0a 3c70 .25,-95.05\"/>.<p\n-00031ff0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00032000: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00032010: 6662 6662 6622 2070 6f69 6e74 733d 2234 fbfbf\" points=\"4\n-00032020: 3132 2e35 322c 2d39 382e 3534 2034 3232 12.52,-98.54 422\n-00032030: 2e33 312c 2d39 342e 3439 2034 3132 2e31 .31,-94.49 412.1\n-00032040: 332c 2d39 312e 3535 2034 3132 2e35 322c 3,-91.55 412.52,\n-00032050: 2d39 382e 3534 222f 3e0a 3c2f 673e 0a3c -98.54\"/>.</g>.<\n-00032060: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00032070: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00032080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00032090: 5f67 726f 6d61 6373 5f73 7461 7469 7374 _gromacs_statist\n-000320a0: 6963 7320 2d2d 3e0a 3c67 2069 643d 2265 ics -->.<g id=\"e\n-000320b0: 6467 6533 3631 2220 636c 6173 733d 2265 dge361\" class=\"e\n-000320c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000320d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000320e0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-000320f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00032100: 735f 7374 6174 6973 7469 6373 3c2f 7469 s_statistics</ti\n-00032110: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00032120: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00032130: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00032140: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00032150: 3d22 4d31 3435 322e 3236 2c2d 3136 3631 =\"M1452.26,-1661\n-00032160: 2e35 3143 3133 3333 2e30 382c 2d31 3635 .51C1333.08,-165\n-00032170: 362e 3033 2039 3435 2e33 2c2d 3136 3336 6.03 945.3,-1636\n-00032180: 2e36 3720 3839 342c 2d31 3631 342e 3632 .67 894,-1614.62\n-00032190: 2038 3737 2e35 362c 2d31 3630 372e 3535 877.56,-1607.55\n-000321a0: 2038 3830 2e32 312c 2d31 3539 352e 3334 880.21,-1595.34\n-000321b0: 2038 3634 2c2d 3135 3837 2e37 3520 3736 864,-1587.75 76\n-000321c0: 332e 3933 2c2d 3135 3430 2e39 2037 3236 3.93,-1540.9 726\n-000321d0: 2e36 2c2d 3135 3732 2e31 3720 3631 382c .6,-1572.17 618,\n-000321e0: 2d31 3535 312e 3735 2036 3133 2e36 332c -1551.75 613.63,\n-000321f0: 2d31 3535 302e 3933 2036 3039 2e30 372c -1550.93 609.07,\n-00032200: 2d31 3535 3020 3630 342e 3534 2c2d 3135 -1550 604.54,-15\n-00032210: 3439 2e30 3222 2f3e 0a3c 706f 6c79 676f 49.02\"/>.<polygo\n-00032220: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-00032230: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00032240: 2220 706f 696e 7473 3d22 3630 352e 3237 \" points=\"605.27\n-00032250: 2c2d 3135 3435 2e36 2035 3934 2e37 352c ,-1545.6 594.75,\n-00032260: 2d31 3534 362e 3835 2036 3033 2e37 352c -1546.85 603.75,\n-00032270: 2d31 3535 322e 3434 2036 3035 2e32 372c -1552.44 605.27,\n-00032280: 2d31 3534 352e 3622 2f3e 0a3c 2f67 3e0a -1545.6\"/>.</g>.\n-00032290: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000322a0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-000322b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000322c0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-000322d0: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n-000322e0: 643d 2265 6467 6533 3539 2220 636c 6173 d=\"edge359\" clas\n-000322f0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00032300: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00032310: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00032320: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00032330: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00032340: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces...\n-00032500: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n-00032580: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00032590: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000325a0: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology..\n+0002e1b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+0002e2a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0002e2b0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0002e2c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002e2d0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+0002e2e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0002e2f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0002e300: 3d22 2362 6662 6662 6622 2064 3d22 4d33 =\"#bfbfbf\" d=\"M3\n+0002e310: 3034 382e 3531 2c2d 3431 382e 3939 4333 048.51,-418.99C3\n+0002e320: 3031 372e 3532 2c2d 3433 342e 3420 3239 017.52,-434.4 29\n+0002e330: 3539 2e37 342c 2d34 3632 2e34 3220 3239 59.74,-462.42 29\n+0002e340: 3039 2c2d 3438 322e 3936 2032 3833 302e 09,-482.96 2830.\n+0002e350: 3037 2c2d 3531 342e 3932 2032 3830 392e 07,-514.92 2809.\n+0002e360: 3631 2c2d 3532 312e 3531 2032 3732 382c 61,-521.51 2728,\n+0002e370: 2d35 3435 2e38 3320 3235 3037 2e31 362c -545.83 2507.16,\n+0002e380: 2d36 3131 2e36 3420 3234 3532 2e32 322c -611.64 2452.22,\n+0002e390: 2d36 3333 2e31 3920 3232 3235 2c2d 3637 -633.19 2225,-67\n+0002e3a0: 312e 3537 2032 3034 392c 2d37 3031 2e33 1.57 2049,-701.3\n+0002e3b0: 2032 3030 322e 3131 2c2d 3638 352e 3420 2002.11,-685.4 \n+0002e3c0: 3138 3235 2c2d 3730 372e 3537 2031 3831 1825,-707.57 181\n+0002e3d0: 342e 3536 2c2d 3730 382e 3838 2031 3137 4.56,-708.88 117\n+0002e3e0: 312e 3937 2c2d 3831 322e 3420 3130 3034 1.97,-812.4 1004\n+0002e3f0: 2e35 342c 2d38 3339 2e33 3722 2f3e 0a3c .54,-839.37\"/>.<\n+0002e400: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0002e410: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0002e420: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0002e430: 3130 3033 2e35 322c 2d38 3335 2e39 3920 1003.52,-835.99 \n+0002e440: 3939 342e 3231 2c2d 3834 312e 3034 2031 994.21,-841.04 1\n+0002e450: 3030 342e 3634 2c2d 3834 322e 3920 3130 004.64,-842.9 10\n+0002e460: 3033 2e35 322c 2d38 3335 2e39 3922 2f3e 03.52,-835.99\"/>\n+0002e470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0002e480: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0002e490: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0002e4a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002e4b0: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+0002e4c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+0002e4d0: 3837 2220 636c 6173 733d 2265 6467 6522 87\" class=\"edge\"\n+0002e4e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0002e4f0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0002e500: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0002e510: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002e520: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0002e530: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0002e540: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0002e550: 2362 6662 6662 6622 2064 3d22 4d33 3037 #bfbfbf\" d=\"M307\n+0002e560: 322e 3731 2c2d 3432 302e 3233 4333 3037 2.71,-420.23C307\n+0002e570: 362e 3031 2c2d 3434 342e 3532 2033 3038 6.01,-444.52 308\n+0002e580: 332e 3532 2c2d 3439 392e 3535 2033 3039 3.52,-499.55 309\n+0002e590: 302c 2d35 3435 2e38 3320 3330 3936 2e39 0,-545.83 3096.9\n+0002e5a0: 392c 2d35 3935 2e37 3620 3331 3138 2e34 9,-595.76 3118.4\n+0002e5b0: 342c 2d37 3230 2e31 3520 3331 3232 2c2d 4,-720.15 3122,-\n+0002e5c0: 3737 302e 3434 2033 3132 342e 3832 2c2d 770.44 3124.82,-\n+0002e5d0: 3831 302e 3234 2033 3134 362e 372c 2d38 810.24 3146.7,-8\n+0002e5e0: 3330 2e35 3420 3331 3230 2c2d 3836 302e 30.54 3120,-860.\n+0002e5f0: 3138 2032 3938 302e 3637 2c2d 3130 3134 18 2980.67,-1014\n+0002e600: 2e38 3220 3134 3033 2e37 332c 2d31 3033 .82 1403.73,-103\n+0002e610: 322e 3232 2031 3130 362e 3234 2c2d 3130 2.22 1106.24,-10\n+0002e620: 3334 2e31 3322 2f3e 0a3c 706f 6c79 676f 34.13\"/>.<polygo\n+0002e630: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0002e640: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0002e650: 2220 706f 696e 7473 3d22 3131 3036 2e31 \" points=\"1106.1\n+0002e660: 382c 2d31 3033 302e 3633 2031 3039 362e 8,-1030.63 1096.\n+0002e670: 3231 2c2d 3130 3334 2e31 3920 3131 3036 21,-1034.19 1106\n+0002e680: 2e32 332c 2d31 3033 372e 3633 2031 3130 .23,-1037.63 110\n+0002e690: 362e 3138 2c2d 3130 3330 2e36 3322 2f3e 6.18,-1030.63\"/>\n+0002e6a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0002e6b0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0002e6c0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0002e6d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002e6e0: 6772 6f6d 6163 735f 6d61 7468 202d 2d3e gromacs_math -->\n+0002e6f0: 0a3c 6720 6964 3d22 6564 6765 3239 3022 .<g id=\"edge290\"\n+0002e700: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0002e710: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002e720: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0002e730: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+0002e740: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002e750: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n+0002e760: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+0002e940: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+0002e950: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002e960: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0002e970: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+0002ebe0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002ebf0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+0002ec00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002ec10: 6f6d 6163 735f 746f 706f 6c6f 6779 202d omacs_topology -\n+0002ec20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3331 ->.\n+0002ec40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0002ec50: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n+0002ec60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002ec70: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+0002ec80: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy..\n+0002ee40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n+0002eeb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002eec0: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+0002eed0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0002eee0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio..<\n+0002ef80: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0002ef90: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0002efa0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0002efb0: 3138 3234 2e31 312c 2d37 3230 2e32 3320 1824.11,-720.23 \n+0002efc0: 3138 3334 2e33 382c 2d37 3137 2e36 3420 1834.38,-717.64 \n+0002efd0: 3138 3234 2e37 332c 2d37 3133 2e32 3620 1824.73,-713.26 \n+0002efe0: 3138 3234 2e31 312c 2d37 3230 2e32 3322 1824.11,-720.23\"\n+0002eff0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....m\n+0002f060: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002f070: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+0002f080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002f090: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n+0002f0a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0002f230: 0a3c 6720 6964 3d22 6564 6765 3330 3122 ..<\n+0002f250: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002f260: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n+0002f270: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002f280: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0002f290: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine......module_src_gro\n+0002f430: 6d61 6373 5f69 6d64 2623 3435 3b26 6774 macs_imd->\n+0002f440: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0002f450: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility.\n+0002f5f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+0002f6b0: 3c67 2069 643d 2265 6467 6533 3039 2220 .module_src_\n+0002f6e0: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n+0002f6f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0002f700: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing......module\n+0002f890: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+0002f8a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002f8b0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0002f8c0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+0002f8d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0002f950: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+0002fa40: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n+0002fa50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002fa60: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil...\n+0002fba0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0002fe10: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+0002fe20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002fe30: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0002fe40: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es....\n+0002ff80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+00030000: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+00030010: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+00030020: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n+00030030: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c70 ology......mod\n+00030190: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000301a0: 636f 6f72 6469 6e61 7465 696f 2623 3435 coordinateio-\n+000301b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000301c0: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+000301d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000301e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000301f0: 3d22 2332 3832 6663 6322 2064 3d22 4d33 =\"#282fcc\" d=\"M3\n+00030200: 3439 342e 3634 2c2d 3132 3733 2e37 3143 494.64,-1273.71C\n+00030210: 3335 3236 2e37 312c 2d31 3233 392e 3935 3526.71,-1239.95\n+00030220: 2033 3631 382e 3033 2c2d 3131 3431 2e32 3618.03,-1141.2\n+00030230: 3520 3336 3830 2c2d 3130 3438 2e37 3920 5 3680,-1048.79 \n+00030240: 3337 3332 2e38 322c 2d39 3639 2e39 3820 3732.82,-969.98 \n+00030250: 3337 3535 2e34 352c 2d39 3531 2e38 3320 3755.45,-951.83 \n+00030260: 3337 3830 2c2d 3836 302e 3138 2033 3738 3780,-860.18 378\n+00030270: 382e 3031 2c2d 3833 302e 3239 2033 3738 8.01,-830.29 378\n+00030280: 382e 3735 2c2d 3631 322e 3735 2033 3739 8.75,-612.75 379\n+00030290: 302c 2d35 3831 2e38 3320 3337 3932 2c2d 0,-581.83 3792,-\n+000302a0: 3533 322e 3335 2033 3739 352c 2d35 3230 532.35 3795,-520\n+000302b0: 2e30 3420 3337 3935 2c2d 3437 302e 3533 .04 3795,-470.53\n+000302c0: 2033 3739 352c 2d34 3730 2e35 3320 3337 3795,-470.53 37\n+000302d0: 3935 2c2d 3437 302e 3533 2033 3739 352c 95,-470.53 3795,\n+000302e0: 2d34 3035 2e36 3620 3337 3935 2c2d 3336 -405.66 3795,-36\n+000302f0: 392e 3833 2033 3738 362e 3733 2c2d 3332 9.83 3786.73,-32\n+00030300: 382e 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6467 e312\" class=\"edg\n+000303f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00030400: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00030410: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+00030420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00030430: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n+00030440: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00030450: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00030460: 2332 3832 6663 6322 2064 3d22 4d33 3435 #282fcc\" d=\"M345\n+00030470: 302e 3537 2c2d 3132 3736 2e37 3543 3333 0.57,-1276.75C33\n+00030480: 3933 2e30 392c 2d31 3236 302e 3937 2033 93.09,-1260.97 3\n+00030490: 3236 392e 3337 2c2d 3132 3238 2e34 3720 269.37,-1228.47 \n+000304a0: 3331 3633 2c2d 3132 3130 2e35 3320 3330 3163,-1210.53 30\n+000304b0: 3034 2e34 2c2d 3131 3833 2e37 3820 3238 04.4,-1183.78 28\n+000304c0: 3132 2e39 2c2d 3131 3639 2e35 3220 3237 12.9,-1169.52 27\n+000304d0: 3332 2e39 342c 2d31 3136 342e 3337 222f 32.94,-1164.37\"/\n+000304e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000304f0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00030500: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00030510: 733d 2232 3733 332e 3036 2c2d 3131 3630 s=\"2733.06,-1160\n+00030520: 2e38 3720 3237 3232 2e38 362c 2d31 3136 .87 2722.86,-116\n+00030530: 332e 3733 2032 3733 322e 3632 2c2d 3131 3.73 2732.62,-11\n+00030540: 3637 2e38 3620 3237 3333 2e30 362c 2d31 67.86 2733.06,-1\n+00030550: 3136 302e 3837 222f 3e0a 3c2f 673e 0a3c 160.87\"/>.</g>.<\n+00030560: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00030570: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n+00030580: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+00030590: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000305a0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+000305b0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+000305c0: 6533 3136 2220 636c 6173 733d 2265 6467 e316\" class=\"edg\n+000305d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000305e0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+000305f0: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+00030600: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00030610: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00030620: 616e 616c 7973 6973 3c2f 7469 746c 653e analysis\n+00030630: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00030730: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+00030780: 3c67 2069 643d 2265 6467 6533 3134 2220 .module_src_\n+000307b0: 6772 6f6d 6163 735f 636f 6f72 6469 6e61 gromacs_coordina\n+000307c0: 7465 696f 2623 3435 3b26 6774 3b6d 6f64 teio->mod\n+000307d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000307e0: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory......mo\n+00030a40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00030a50: 5f63 6f6f 7264 696e 6174 6569 6f26 2334 _coordinateio\n+00030a60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00030a70: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n+00030a80: 6f6e 3c2f 7469 746c 653e 0a3c 7061 7468 on......module_src_gro\n+00030c90: 6d61 6373 5f72 616e 646f 6d26 2334 353b macs_random-\n+00030ca0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00030cb0: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility......modul\n+00030ef0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00030f00: 616a 6563 746f 7279 2623 3435 3b26 6774 ajectory->\n+00030f10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00030f20: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+00030f30: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00030f40: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00030f50: 6266 6266 6266 2220 643d 224d 3330 3136 bfbfbf\" 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6374 6f72 7926 2334 353b _trajectory-\n+000314d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000314e0: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math</tit\n+000314f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00031500: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00031510: 6662 6662 6622 2064 3d22 4d33 3032 362e fbfbf\" d=\"M3026.\n+00031520: 3835 2c2d 3134 322e 3135 4333 3033 352e 85,-142.15C3035.\n+00031530: 3236 2c2d 3133 332e 3632 2033 3034 362e 26,-133.62 3046.\n+00031540: 3732 2c2d 3132 3220 3330 3536 2e33 342c 72,-122 3056.34,\n+00031550: 2d31 3132 2e32 3322 2f3e 0a3c 706f 6c79 -112.23\"/>.<poly\n+00031560: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00031570: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00031580: 6266 2220 706f 696e 7473 3d22 3330 3539 bf\" points=\"3059\n+00031590: 2e30 352c 2d31 3134 2e34 3720 3330 3633 .05,-114.47 3063\n+000315a0: 2e35 382c 2d31 3034 2e38 3920 3330 3534 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735f 7062 6375 7469 6c26 2334 omacs_pbcutil\n+00031b20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00031b30: 5f67 726f 6d61 6373 5f73 696d 643c 2f74 _gromacs_simd</t\n+00031b40: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00031b50: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00031b60: 2332 3832 6663 6322 2064 3d22 4d36 3139 #282fcc\" d=\"M619\n+00031b70: 2c2d 3230 342e 3433 4336 3139 2c2d 3139 ,-204.43C619,-19\n+00031b80: 372e 3039 2036 3139 2c2d 3138 372e 3620 7.09 619,-187.6 \n+00031b90: 3631 392c 2d31 3738 2e39 3922 2f3e 0a3c 619,-178.99\"/>.<\n+00031ba0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00031bb0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00031bc0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00031bd0: 3632 322e 352c 2d31 3738 2e37 3720 3631 622.5,-178.77 61\n+00031be0: 392c 2d31 3638 2e37 3720 3631 352e 352c 9,-168.77 615.5,\n+00031bf0: 2d31 3738 2e37 3720 3632 322e 352c 2d31 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6662 6622 2064 3d22 4d36 3530 #bfbfbf\" d=\"M650\n+00031cf0: 2e36 312c 2d32 3136 2e32 3443 3930 362e .61,-216.24C906.\n+00031d00: 3833 2c2d 3230 392e 3733 2032 3634 322e 83,-209.73 2642.\n+00031d10: 3138 2c2d 3136 352e 3635 2032 3936 332e 18,-165.65 2963.\n+00031d20: 3738 2c2d 3135 372e 3438 222f 3e0a 3c70 78,-157.48\"/>.<p\n+00031d30: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00031d40: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00031d50: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n+00031d60: 3936 342e 3238 2c2d 3136 302e 3936 2032 964.28,-160.96 2\n+00031d70: 3937 342e 3139 2c2d 3135 372e 3231 2032 974.19,-157.21 2\n+00031d80: 3936 342e 312c 2d31 3533 2e39 3720 3239 964.1,-153.97 29\n+00031d90: 3634 2e32 382c 2d31 3630 2e39 3622 2f3e 64.28,-160.96\"/>\n+00031da0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00031db0: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n+00031dc0: 6375 7469 6c26 2334 353b 2667 743b 6d6f cutil->mo\n+00031dd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00031de0: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n+00031df0: 6720 6964 3d22 6564 6765 3332 3622 2063 g id=\"edge326\" c\n+00031e00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00031e10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00031e20: 726f 6d61 6373 5f70 6263 7574 696c 2623 romacs_pbcutil&#\n+00031e30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00031e40: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00031e50: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils...\n+00031ff0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+00032060: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00032070: 7062 6375 7469 6c26 2334 353b 2667 743b pbcutil->\n+00032080: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00032090: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+000320a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000320b0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+000320c0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+000320d0: 7272 6179 3d22 352c 3222 2064 3d22 4d35 rray=\"5,2\" d=\"M5\n+000320e0: 3838 2e35 392c 2d32 3232 2e36 3343 3532 88.59,-222.63C52\n+000320f0: 392e 3538 2c2d 3233 312e 3131 2034 3036 9.58,-231.11 406\n+00032100: 2c2d 3235 382e 3531 2034 3036 2c2d 3334 ,-258.51 406,-34\n+00032110: 322e 3739 2034 3036 2c2d 3533 332e 3420 2.79 406,-533.4 \n+00032120: 3430 362c 2d35 3333 2e34 2034 3036 2c2d 406,-533.4 406,-\n+00032130: 3533 332e 3420 3430 362c 2d35 3832 2e39 533.4 406,-582.9\n+00032140: 3120 3430 392e 3839 2c2d 3539 352e 3139 1 409.89,-595.19\n+00032150: 2034 3131 2c2d 3634 342e 3720 3431 312e 411,-644.7 411.\n+00032160: 3237 2c2d 3635 362e 3634 2034 3132 2e32 27,-656.64 412.2\n+00032170: 352c 2d36 3539 2e36 3920 3431 312c 2d36 5,-659.69 411,-6\n+00032180: 3731 2e35 3720 3430 362e 3331 2c2d 3731 71.57 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7374 726f 6b65 3d22 626c 6163 ck\" stroke=\"blac\n+00032280: 6b22 2070 6f69 6e74 733d 2231 3031 322e k\" points=\"1012.\n+00032290: 3539 2c2d 3130 3332 2e31 3520 3130 3232 59,-1032.15 1022\n+000322a0: 2e39 352c 2d31 3032 392e 3935 2031 3031 .95,-1029.95 101\n+000322b0: 332e 3438 2c2d 3130 3235 2e32 3120 3130 3.48,-1025.21 10\n+000322c0: 3132 2e35 392c 2d31 3033 322e 3135 222f 12.59,-1032.15\"/\n+000322d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000322e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+000322f0: 6263 7574 696c 2623 3435 3b26 6774 3b6d bcutil->m\n+00032300: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00032310: 735f 6d61 7468 202d 2d3e 0a3c 6720 6964 s_math -->.<g id\n+00032320: 3d22 6564 6765 3332 3322 2063 6c61 7373 =\"edge323\" class\n+00032330: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00032340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00032350: 6373 5f70 6263 7574 696c 2623 3435 3b26 cs_pbcutil-&\n+00032360: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00032370: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n+00032380: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00032390: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000323a0: 6266 6266 2220 643d 224d 3635 302e 352c bfbf\" d=\"M650.5,\n+000323b0: 2d32 3135 2e34 3643 3931 342e 3334 2c2d -215.46C914.34,-\n+000323c0: 3230 322e 3136 2032 3735 332e 3537 2c2d 202.16 2753.57,-\n+000323d0: 3130 392e 3520 3330 3338 2e30 372c 2d39 109.5 3038.07,-9\n+000323e0: 352e 3137 222f 3e0a 3c70 6f6c 7967 6f6e 5.17\"/>.<polygon\n+000323f0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00032400: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00032410: 2070 6f69 6e74 733d 2233 3033 382e 3436 points=\"3038.46\n+00032420: 2c2d 3938 2e36 3520 3330 3438 2e32 372c ,-98.65 3048.27,\n+00032430: 2d39 342e 3635 2033 3033 382e 312c 2d39 -94.65 3038.1,-9\n+00032440: 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itle>.<path fill\n+00032530: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00032540: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00032550: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00032560: 643d 224d 3230 3436 2e37 2c2d 3134 3733 d=\"M2046.7,-1473\n+00032570: 2e37 3443 3138 3434 2e33 2c2d 3134 3731 .74C1844.3,-1471\n+00032580: 2e30 3220 3131 3739 2e34 352c 2d31 3435 .02 1179.45,-145\n+00032590: 392e 3538 2031 3039 302c 2d31 3432 362e 9.58 1090,-1426.\n+000325a0: 3031 2031 3033 392e 3536 2c2d 3134 3037 01 1039.56,-1407\n+000325b0: 2e30 3820 3939 352c 2d31 3430 342e 3538 .08 995,-1404.58\n+000325c0: 2039 3935 2c2d 3133 3530 2e37 3120 3939 995,-1350.71 99\n+000325d0: 352c 2d31 3335 302e 3731 2039 3935 2c2d 5,-1350.71 995,-\n+000325e0: 3133 3530 2e37 3120 3939 352c 2d31 3232 1350.71 995,-122\n+000325f0: 322e 3937 2039 3935 2c2d 3131 3534 2e39 2.97 995,-1154.9\n+00032600: 3620 3130 3635 2e33 362c 2d31 3137 302e 6 1065.36,-1170.\n+00032610: 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756c 655f 7372 45;>module_sr\n-00032700: 635f 6772 6f6d 6163 735f 6c69 6e65 6172 c_gromacs_linear\n-00032710: 616c 6765 6272 6120 2d2d 3e0a 3c67 2069 algebra -->.<g i\n-00032720: 643d 2265 6467 6533 3535 2220 636c 6173 d=\"edge355\" clas\n-00032730: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00032740: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00032750: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00032760: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00032770: 6f6d 6163 735f 6c69 6e65 6172 616c 6765 omacs_linearalge\n-00032780: 6272 613c 2f74 6974 6c65 3e0a 3c70 6174 bra.....<\n-000329d0: 6720 6964 3d22 6564 6765 3335 3322 2063 g id=\"edge353\" c\n-000329e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00032a00: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00032a10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00032a20: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib....<\n-00032c90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00032ca0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00032cb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00032cc0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n-00032cd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->..module_\n-00032d00: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-00032d10: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-00032d20: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00032d30: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio.....\n-00032ec0: 3c67 2069 643d 2265 6467 6533 3538 2220 .module_src_\n-00032ef0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-00032f00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00032f10: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n-00032f20: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g......module_\n-00033180: 7372 635f 6772 6f6d 6163 735f 676d 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6d78 616e 6126 2334 353b macs_gmxana-\n-00033a00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00033a10: 726f 6d61 6373 5f75 7469 6c69 7479 202d romacs_utility -\n-00033a20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3334 ->.<g id=\"edge34\n-00033a30: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n-00033a40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00033a50: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-00033a60: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-00033a70: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-00033a80: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity..\n-00033d00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n-00033d80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00033d90: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00033da0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00033db0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-00033dc0: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a nctions.\n-00033dd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n-00033f80: 6720 6964 3d22 6564 6765 3336 3222 2063 g id=\"edge362\" c\n-00033f90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00033fb0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00033fc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00033fd0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-00033fe0: 6f72 7961 6e61 6c79 7369 733c 2f74 6974 oryanalysis..\n-000340f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-00034160: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00034170: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-00034180: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00034190: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random</tit\n-000341a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000341b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-000341c0: 6163 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0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-000343a0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n-000343b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000343c0: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n-000343d0: 696c 202d 2d3e 0a3c 6720 6964 3d22 6564 il -->.<g id=\"ed\n-000343e0: 6765 3334 3722 2063 6c61 7373 3d22 6564 ge347\" class=\"ed\n-000343f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00034400: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00034410: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n-00034420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00034430: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n-00034440: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n-00034670: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00034680: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00034690: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000346a0: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n-000346b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-000347e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-00034860: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00034870: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-00034880: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00034890: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-000348a0: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess......modu\n-00034ab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00034ac0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-00034ad0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00034ae0: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n-00034af0: 6f6e 3c2f 7469 746c 653e 0a3c 7061 7468 on....\n-00034c40: 0a3c 6720 6964 3d22 6564 6765 3336 3722 ..<\n-00034c60: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00034c70: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00034c80: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-00034c90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00034ca0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes.....\n-00034ed0: 3c67 2069 643d 2265 6467 6533 3734 2220 .module_src_\n-00034f00: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00034f10: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00034f20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00034f30: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n-00034f40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-000350b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00035100: 3c67 2069 643d 2265 6467 6533 3730 2220 .module_src_\n-00035130: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00035140: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00035150: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00035160: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n-00035170: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00035180: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00035190: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000351a0: 6179 3d22 352c 3222 2064 3d22 4d31 3237 ay=\"5,2\" d=\"M127\n-000351b0: 372e 3034 2c2d 3737 332e 3338 4331 3137 7.04,-773.38C117\n-000351c0: 352e 3539 2c2d 3734 352e 3034 2038 3832 5.59,-745.04 882\n-000351d0: 2e38 382c 2d36 3532 2e33 2037 3034 2c2d .88,-652.3 704,-\n-000351e0: 3438 322e 3936 2035 3738 2e32 382c 2d33 482.96 578.28,-3\n-000351f0: 3633 2e39 3520 3535 302e 3839 2c2d 3332 63.95 550.89,-32\n-00035200: 332e 3731 2034 3734 2c2d 3136 382e 3631 3.71 474,-168.61\n-00035210: 2034 3635 2e35 2c2d 3135 312e 3436 2034 465.5,-151.46 4\n-00035220: 3538 2e38 362c 2d31 3330 2e37 3520 3435 58.86,-130.75 45\n-00035230: 342e 3537 2c2d 3131 352e 3339 222f 3e0a 4.57,-115.39\"/>.\n-00035240: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-000352b0: 3c2f 673e 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6965 c_gromacs_applie\n-000355e0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-000355f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00035600: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n-00035610: 2069 643d 2265 6467 6533 3735 2220 636c id=\"edge375\" cl\n-00035620: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00035630: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00035640: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-00035650: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-00035660: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00035670: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib.....\n-000357c0: 3c67 2069 643d 2265 6467 6533 3636 2220 .module_src_\n-000357f0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00035800: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00035810: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00035820: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-00035830: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-000359e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000359f0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00035a00: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00035a10: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-00035a20: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......mod\n-00035b90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00035ba0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-00035bb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00035bc0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00035bd0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-00035d20: 3c67 2069 643d 2265 6467 6533 3731 2220 .module_src_\n-00035d50: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00035d60: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00032660: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00032670: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00032680: 696e 7473 3d22 3131 3634 2e35 362c 2d39 ints=\"1164.56,-9\n+00032690: 3333 2e36 3620 3131 3632 2e39 342c 2d39 33.66 1162.94,-9\n+000326a0: 3233 2e31 3920 3131 3537 2e36 382c 2d39 23.19 1157.68,-9\n+000326b0: 3332 2e33 3920 3131 3634 2e35 362c 2d39 32.39 1164.56,-9\n+000326c0: 3333 2e36 3622 2f3e 0a3c 2f67 3e0a 3c21 33.66\"/>....mo\n+00032740: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00032750: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+00032760: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00032770: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+00032780: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00032790: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000327a0: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n+000327b0: 3034 362e 3635 2c2d 3134 3733 2e32 3643 046.65,-1473.26C\n+000327c0: 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6c65 5f73 g>.<!-- module_s\n+000328b0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000328c0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+000328d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000328e0: 6163 735f 746f 706f 6c6f 6779 202d 2d3e acs_topology -->\n+000328f0: 0a3c 6720 6964 3d22 6564 6765 3332 3822 .<g id=\"edge328\"\n+00032900: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00032910: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00032920: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00032930: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00032940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00032950: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n+00032960: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00032970: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00032980: 6266 6266 2220 643d 224d 3230 3533 2e34 bfbf\" d=\"M2053.4\n+00032990: 382c 2d31 3436 382e 3932 4331 3939 312e 8,-1468.92C1991.\n+000329a0: 392c 2d31 3436 312e 3520 3138 3933 2e33 9,-1461.5 1893.3\n+000329b0: 352c 2d31 3434 362e 3831 2031 3836 332c 5,-1446.81 1863,\n+000329c0: 2d31 3432 362e 3031 2031 3739 382e 3233 -1426.01 1798.23\n+000329d0: 2c2d 3133 3831 2e36 3220 3137 3633 2e33 ,-1381.62 1763.3\n+000329e0: 372c 2d31 3238 392e 3420 3137 3530 2e32 7,-1289.4 1750.2\n+000329f0: 322c 2d31 3234 372e 3037 222f 3e0a 3c70 2,-1247.07\"/>.<p\n+00032a00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00032a10: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00032a20: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00032a30: 3735 332e 3536 2c2d 3132 3436 2e30 3220 753.56,-1246.02 \n+00032a40: 3137 3437 2e33 342c 2d31 3233 372e 3434 1747.34,-1237.44\n+00032a50: 2031 3734 362e 3835 2c2d 3132 3438 2e30 1746.85,-1248.0\n+00032a60: 3320 3137 3533 2e35 362c 2d31 3234 362e 3 1753.56,-1246.\n+00032a70: 3032 222f 3e0a 3c2f 673e 0a3c 212d 2d20 02\"/>.</g>.<!-- \n+00032a80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00032a90: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00032aa0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00032ab0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00032ac0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564 io -->.<g id=\"ed\n+00032ad0: 6765 3333 3222 2063 6c61 7373 3d22 6564 ge332\" class=\"ed\n+00032ae0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00032af0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00032b00: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00032b10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00032b20: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+00032b30: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00032b40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00032b50: 2223 6266 6266 6266 2220 643d 224d 3230 \"#bfbfbf\" d=\"M20\n+00032b60: 3832 2e35 322c 2d31 3436 332e 3031 4332 82.52,-1463.01C2\n+00032b70: 3033 382e 3635 2c2d 3134 3339 2e33 3520 038.65,-1439.35 \n+00032b80: 3139 3432 2e31 372c 2d31 3338 302e 3438 1942.17,-1380.48\n+00032b90: 2031 3839 392c 2d31 3330 302e 3237 2031 1899,-1300.27 1\n+00032ba0: 3830 352c 2d31 3132 352e 3632 2031 3834 805,-1125.62 184\n+00032bb0: 312e 352c 2d31 3035 372e 3833 2031 3832 1.5,-1057.83 182\n+00032bc0: 352c 2d38 3630 2e31 3820 3138 3231 2e36 5,-860.18 1821.6\n+00032bd0: 342c 2d38 3139 2e38 3820 3138 3237 2e32 4,-819.88 1827.2\n+00032be0: 322c 2d38 3038 2e38 2031 3834 302c 2d37 2,-808.8 1840,-7\n+00032bf0: 3730 2e34 3420 3138 3433 2e30 312c 2d37 70.44 1843.01,-7\n+00032c00: 3631 2e34 3220 3138 3437 2e30 332c 2d37 61.42 1847.03,-7\n+00032c10: 3531 2e37 3520 3138 3530 2e37 352c 2d37 51.75 1850.75,-7\n+00032c20: 3433 2e34 3422 2f3e 0a3c 706f 6c79 676f 43.44\"/>.<polygo\n+00032c30: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00032c40: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00032c50: 2220 706f 696e 7473 3d22 3138 3534 2e30 \" points=\"1854.0\n+00032c60: 342c 2d37 3434 2e36 3620 3138 3535 2e30 4,-744.66 1855.0\n+00032c70: 342c 2d37 3334 2e31 3220 3138 3437 2e36 4,-734.12 1847.6\n+00032c80: 382c 2d37 3431 2e37 3320 3138 3534 2e30 8,-741.73 1854.0\n+00032c90: 342c 2d37 3434 2e36 3622 2f3e 0a3c 2f67 4,-744.66\"/>.</g\n+00032ca0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00032cb0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00032cc0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00032cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00032ce0: 6373 5f70 756c 6c69 6e67 202d 2d3e 0a3c cs_pulling -->.<\n+00032cf0: 6720 6964 3d22 6564 6765 3334 3122 2063 g id=\"edge341\" c\n+00032d00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00032d10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00032d20: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00032d30: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00032d40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00032d50: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00032d60: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00032eb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+000331b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000331c0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+000331d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000331e0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+000331f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00033200: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00033210: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00033220: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00033230: 643d 224d 3230 3435 2e39 342c 2d31 3437 d=\"M2045.94,-147\n+00033240: 342e 3743 3139 3231 2e37 382c 2d31 3437 4.7C1921.78,-147\n+00033250: 342e 3335 2031 3633 382e 3131 2c2d 3134 4.35 1638.11,-14\n+00033260: 3638 2e37 3520 3135 3533 2c2d 3134 3236 68.75 1553,-1426\n+00033270: 2e30 3120 3133 3939 2e31 312c 2d31 3334 .01 1399.11,-134\n+00033280: 382e 3734 2031 3436 332e 3233 2c2d 3130 8.74 1463.23,-10\n+00033290: 3736 2e36 3520 3134 3836 2e31 342c 2d39 76.65 1486.14,-9\n+000332a0: 3936 2e31 3122 2f3e 0a3c 706f 6c79 676f 96.11\"/>.<polygo\n+000332b0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000332c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000332d0: 2220 706f 696e 7473 3d22 3134 3839 2e36 \" points=\"1489.6\n+000332e0: 332c 2d39 3936 2e36 3320 3134 3839 2e30 3,-996.63 1489.0\n+000332f0: 372c 2d39 3836 2e30 3520 3134 3832 2e39 7,-986.05 1482.9\n+00033300: 312c 2d39 3934 2e36 3720 3134 3839 2e36 1,-994.67 1489.6\n+00033310: 332c 2d39 3936 2e36 3322 2f3e 0a3c 2f67 3,-996.63\"/>.</g\n+00033320: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00033330: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00033340: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00033350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00033360: 6373 5f66 6674 202d 2d3e 0a3c 6720 6964 cs_fft -->.<g id\n+00033370: 3d22 6564 6765 3333 3522 2063 6c61 7373 =\"edge335\" class\n+00033380: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00033390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000333a0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+000333b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000333c0: 7372 635f 6772 6f6d 6163 735f 6666 743c src_gromacs_fft<\n+000333d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000333e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000333f0: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n+00033400: 3136 332e 3938 2c2d 3134 3734 2e35 3543 163.98,-1474.55C\n+00033410: 3234 3239 2e34 362c 2d31 3437 342e 3738 2429.46,-1474.78\n+00033420: 2033 3530 332e 3033 2c2d 3134 3732 2e37 3503.03,-1472.7\n+00033430: 3720 3335 3536 2c2d 3134 3236 2e30 3120 7 3556,-1426.01 \n+00033440: 3336 3439 2e37 2c2d 3133 3433 2e33 2033 3649.7,-1343.3 3\n+00033450: 3538 382e 3031 2c2d 3132 3439 2e38 3120 588.01,-1249.81 \n+00033460: 3335 3136 2c2d 3131 3437 2e36 3620 3334 3516,-1147.66 34\n+00033470: 3930 2e30 342c 2d31 3131 302e 3833 2033 90.04,-1110.83 3\n+00033480: 3235 322e 3831 2c2d 3839 392e 3034 2033 252.81,-899.04 3\n+00033490: 3233 302c 2d38 3630 2e31 3820 3332 3135 230,-860.18 3215\n+000334a0: 2e32 392c 2d38 3335 2e31 3220 3332 3136 .29,-835.12 3216\n+000334b0: 2e35 2c2d 3832 362e 3033 2033 3231 322c .5,-826.03 3212,\n+000334c0: 2d37 3937 2e33 3120 3332 3037 2e30 312c -797.31 3207.01,\n+000334d0: 2d37 3635 2e34 3520 3331 3931 2e34 312c -765.45 3191.41,\n+000334e0: 2d34 3036 2e39 3220 3332 3130 2c2d 3333 -406.92 3210,-33\n+000334f0: 302e 3335 2033 3231 322e 3331 2c2d 3332 0.35 3212.31,-32\n+00033500: 302e 3833 2033 3231 362e 3834 2c2d 3331 0.83 3216.84,-31\n+00033510: 312e 3039 2033 3232 312e 3432 2c2d 3330 1.09 3221.42,-30\n+00033520: 322e 3837 222f 3e0a 3c70 6f6c 7967 6f6e 2.87\"/>.<polygon\n+00033530: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00033540: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00033550: 2070 6f69 6e74 733d 2233 3232 342e 3538 points=\"3224.58\n+00033560: 2c2d 3330 342e 3420 3332 3236 2e36 382c ,-304.4 3226.68,\n+00033570: 2d32 3934 2e30 3120 3332 3138 2e35 362c -294.01 3218.56,\n+00033580: 2d33 3030 2e38 3220 3332 3234 2e35 382c -300.82 3224.58,\n+00033590: 2d33 3034 2e34 222f 3e0a 3c2f 673e 0a3c -304.4\"/>.</g>.<\n+000335a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000335b0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+000335c0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+000335d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000335e0: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n+000335f0: 3c67 2069 643d 2265 6467 6533 3331 2220 <g id=\"edge331\" \n+00033600: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00033610: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00033620: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00033630: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00033640: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00033650: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n+00033660: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00033670: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+00033680: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+00033690: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+000336a0: 4d32 3136 312e 3233 2c2d 3134 3731 2e33 M2161.23,-1471.3\n+000336b0: 3343 3232 3739 2e33 342c 2d31 3436 312e 3C2279.34,-1461.\n+000336c0: 3232 2032 3534 382e 3636 2c2d 3134 3138 22 2548.66,-1418\n+000336d0: 2e34 3120 3236 3235 2c2d 3132 3337 2e34 .41 2625,-1237.4\n+000336e0: 2032 3633 312e 3934 2c2d 3132 3230 2e39 2631.94,-1220.9\n+000336f0: 3620 3236 3332 2e37 342c 2d31 3230 352e 6 2632.74,-1205.\n+00033700: 3334 2032 3535 372c 2d38 3333 2e33 3120 34 2557,-833.31 \n+00033710: 3235 3535 2e32 382c 2d38 3234 2e38 3520 2555.28,-824.85 \n+00033720: 3235 3533 2e32 322c 2d38 3135 2e36 2032 2553.22,-815.6 2\n+00033730: 3535 312e 3335 2c2d 3830 372e 3437 222f 551.35,-807.47\"/\n+00033740: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00033750: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n+00033760: 626c 6163 6b22 2070 6f69 6e74 733d 2232 black\" points=\"2\n+00033770: 3535 342e 3733 2c2d 3830 362e 3533 2032 554.73,-806.53 2\n+00033780: 3534 392e 3035 2c2d 3739 372e 3539 2032 549.05,-797.59 2\n+00033790: 3534 372e 3931 2c2d 3830 382e 3132 2032 547.91,-808.12 2\n+000337a0: 3535 342e 3733 2c2d 3830 362e 3533 222f 554.73,-806.53\"/\n+000337b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000337c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000337d0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+000337e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000337f0: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+00033800: 3e0a 3c67 2069 643d 2265 6467 6533 3334 >.<g id=\"edge334\n+00033810: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00033820: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00033830: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00033840: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00033850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00033860: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n+00033870: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n+00033aa0: 6720 6964 3d22 6564 6765 3332 3922 2063 g id=\"edge329\" c\n+00033ab0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00033ad0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00033ae0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00033af0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00033b00: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00033b10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00033c20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n+00033d10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00033d20: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+00033d30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00033d40: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f _gromacs_mdrun</\n+00033d50: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00033d60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00033d70: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00033d80: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00033d90: 2064 3d22 4d32 3136 332e 352c 2d31 3437 d=\"M2163.5,-147\n+00033da0: 3443 3233 3839 2e34 382c 2d31 3437 312e 4C2389.48,-1471.\n+00033db0: 3520 3331 3933 2c2d 3134 3535 2e32 3620 5 3193,-1455.26 \n+00033dc0: 3331 3933 2c2d 3133 3530 2e37 3120 3331 3193,-1350.71 31\n+00033dd0: 3933 2c2d 3133 3530 2e37 3120 3331 3933 93,-1350.71 3193\n+00033de0: 2c2d 3133 3530 2e37 3120 3331 3933 2c2d ,-1350.71 3193,-\n+00033df0: 3132 3835 2e38 3420 3331 3933 2c2d 3131 1285.84 3193,-11\n+00033e00: 3330 2e35 3120 3239 3939 2e39 2c2d 3132 30.51 2999.9,-12\n+00033e10: 3231 2e34 3420 3238 3930 2c2d 3131 3131 21.44 2890,-1111\n+00033e20: 2e36 3620 3237 3735 2e38 342c 2d39 3937 .66 2775.84,-997\n+00033e30: 2e36 3320 3238 3539 2e35 342c 2d39 3031 .63 2859.54,-901\n+00033e40: 2e39 3220 3237 3636 2c2d 3737 302e 3434 .92 2766,-770.44\n+00033e50: 2032 3638 382e 3936 2c2d 3636 322e 3136 2688.96,-662.16\n+00033e60: 2032 3634 322e 3138 2c2d 3635 392e 3031 2642.18,-659.01\n+00033e70: 2032 3533 342c 2d35 3831 2e38 3320 3234 2534,-581.83 24\n+00033e80: 3930 2e39 362c 2d35 3531 2e31 3220 3234 90.96,-551.12 24\n+00033e90: 3832 2e34 322c 2d35 3337 2e37 3620 3234 82.42,-537.76 24\n+00033ea0: 3333 2c2d 3531 382e 3936 2032 3335 312c 33,-518.96 2351,\n+00033eb0: 2d34 3837 2e37 3720 3232 3437 2e39 322c -487.77 2247.92,\n+00033ec0: 2d34 3736 2e35 3620 3231 3931 2e38 382c -476.56 2191.88,\n+00033ed0: 2d34 3732 2e36 3122 2f3e 0a3c 706f 6c79 -472.61\"/>.<poly\n+00033ee0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00033ef0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00033f00: 6363 2220 706f 696e 7473 3d22 3231 3931 cc\" points=\"2191\n+00033f10: 2e38 352c 2d34 3639 2e31 2032 3138 312e .85,-469.1 2181.\n+00033f20: 3634 2c2d 3437 312e 3933 2032 3139 312e 64,-471.93 2191.\n+00033f30: 3339 2c2d 3437 362e 3039 2032 3139 312e 39,-476.09 2191.\n+00033f40: 3835 2c2d 3436 392e 3122 2f3e 0a3c 2f67 85,-469.1\"/>.</g\n+00033f50: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00033f60: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00033f70: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00033f80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00033f90: 6373 5f67 6d78 616e 6120 2d2d 3e0a 3c67 cs_gmxana -->.<g\n+00033fa0: 2069 643d 2265 6467 6533 3434 2220 636c id=\"edge344\" cl\n+00033fb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00033fc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00033fd0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00033fe0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00033ff0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00034000: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c70 mxana.....<\n+00034410: 6720 6964 3d22 6564 6765 3334 3222 2063 g id=\"edge342\" c\n+00034420: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00034440: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00034450: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00034460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034470: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+00034480: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00034490: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000344a0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+000344b0: 3d22 352c 3222 2064 3d22 4d32 3136 332e =\"5,2\" d=\"M2163.\n+000344c0: 3739 2c2d 3134 3734 2e35 3943 3233 3435 79,-1474.59C2345\n+000344d0: 2e35 352c 2d31 3437 342e 3536 2032 3839 .55,-1474.56 289\n+000344e0: 362e 3534 2c2d 3134 3730 2e36 3720 3330 6.54,-1470.67 30\n+000344f0: 3639 2c2d 3134 3236 2e30 3120 3331 3330 69,-1426.01 3130\n+00034500: 2e33 362c 2d31 3431 302e 3132 2033 3136 .36,-1410.12 316\n+00034510: 332e 3036 2c2d 3134 3136 2e36 3720 3331 3.06,-1416.67 31\n+00034520: 3937 2c2d 3133 3633 2e31 3420 3332 3333 97,-1363.14 3233\n+00034530: 2e36 2c2d 3133 3035 2e34 3220 3332 3132 .6,-1305.42 3212\n+00034540: 2e30 392c 2d31 3236 392e 3737 2033 3137 .09,-1269.77 317\n+00034550: 382c 2d31 3231 302e 3533 2033 3135 392e 8,-1210.53 3159.\n+00034560: 3139 2c2d 3131 3737 2e38 3420 3331 3438 19,-1177.84 3148\n+00034570: 2e38 342c 2d31 3137 332e 3120 3331 3231 .84,-1173.1 3121\n+00034580: 2c2d 3131 3437 2e36 3620 3330 3637 2e31 ,-1147.66 3067.1\n+00034590: 352c 2d31 3039 382e 3435 2033 3032 382e 5,-1098.45 3028.\n+000345a0: 3737 2c2d 3131 3130 2e35 3820 3239 3930 77,-1110.58 2990\n+000345b0: 2c2d 3130 3438 2e37 3920 3239 3731 2e38 ,-1048.79 2971.8\n+000345c0: 362c 2d31 3031 392e 3839 2032 3937 352c 6,-1019.89 2975,\n+000345d0: 2d31 3030 372e 3631 2032 3937 352c 2d39 -1007.61 2975,-9\n+000345e0: 3733 2e34 3920 3239 3735 2c2d 3937 332e 73.49 2975,-973.\n+000345f0: 3439 2032 3937 352c 2d39 3733 2e34 3920 49 2975,-973.49 \n+00034600: 3239 3735 2c2d 3930 382e 3632 2032 3937 2975,-908.62 297\n+00034610: 352c 2d37 3135 2e39 3420 3238 3732 2c2d 5,-715.94 2872,-\n+00034620: 3639 302e 3837 2032 3738 352c 2d35 3138 690.87 2785,-518\n+00034630: 2e39 3620 3237 3730 2e37 352c 2d34 3930 .96 2770.75,-490\n+00034640: 2e38 2032 3737 312e 3732 2c2d 3438 302e .8 2771.72,-480.\n+00034650: 3733 2032 3735 322c 2d34 3536 2e30 3920 73 2752,-456.09 \n+00034660: 3237 3432 2e35 362c 2d34 3434 2e32 3920 2742.56,-444.29 \n+00034670: 3237 3239 2e39 332c 2d34 3333 2e32 3220 2729.93,-433.22 \n+00034680: 3237 3138 2e39 352c 2d34 3234 2e36 3422 2718.95,-424.64\"\n+00034690: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....modu\n+00034780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00034790: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+000347a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000347b0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+000347c0: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry......mo\n+00034a70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034a80: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+00034a90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00034aa0: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n+00034ab0: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l......modu\n+00034d30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00034d40: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00034d50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00034d60: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+00034d70: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n.....<\n+00034f40: 6720 6964 3d22 6564 6765 3334 3522 2063 g id=\"edge345\" c\n+00034f50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00034f70: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00034f80: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00034f90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034fa0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+00034fb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00034fc0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00034fd0: 2220 643d 224d 3230 3436 2e34 2c2d 3134 \" d=\"M2046.4,-14\n+00034fe0: 3733 2e39 3543 3138 3233 2e39 322c 2d31 73.95C1823.92,-1\n+00034ff0: 3437 312e 3820 3130 3338 2e38 322c 2d31 471.8 1038.82,-1\n+00035000: 3436 312e 3733 2039 3333 2c2d 3134 3236 461.73 933,-1426\n+00035010: 2e30 3120 3833 302e 3331 2c2d 3133 3931 .01 830.31,-1391\n+00035020: 2e33 3520 3739 352c 2d31 3333 332e 3334 .35 795,-1333.34\n+00035030: 2037 3935 2c2d 3132 3234 2e39 3720 3739 795,-1224.97 79\n+00035040: 352c 2d31 3232 342e 3937 2037 3935 2c2d 5,-1224.97 795,-\n+00035050: 3132 3234 2e39 3720 3739 352c 2d31 3033 1224.97 795,-103\n+00035060: 342e 3336 2037 3935 2c2d 3936 342e 3237 4.36 795,-964.27\n+00035070: 2038 3230 2e37 372c 2d39 3435 2e30 3620 820.77,-945.06 \n+00035080: 3837 312c 2d38 3936 2e31 3820 3838 382e 871,-896.18 888.\n+00035090: 3131 2c2d 3837 392e 3533 2039 3132 2e30 11,-879.53 912.0\n+000350a0: 392c 2d38 3637 2e33 2039 3331 2e35 342c 9,-867.3 931.54,\n+000350b0: 2d38 3539 2e32 3922 2f3e 0a3c 706f 6c79 -859.29\"/>...<\n+00035130: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00035140: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00035150: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00035160: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00035170: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069 mdtypes -->..module_src_grom\n+000351b0: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+000351c0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000351d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+000351e0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes...\n+00035380: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+000353f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00035400: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00035410: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00035420: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+00035430: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000355a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000355b0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000355c0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000355d0: 3331 3131 2e36 322c 2d39 322e 3832 2033 3111.62,-92.82 3\n+000355e0: 3130 312e 3335 2c2d 3935 2e34 3420 3331 101.35,-95.44 31\n+000355f0: 3131 2e30 312c 2d39 392e 3820 3331 3131 11.01,-99.8 3111\n+00035600: 2e36 322c 2d39 322e 3832 222f 3e0a 3c2f .62,-92.82\"/>....\n+00035690: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000356a0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+000356b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000356c0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+000356d0: 6965 645f 666f 7263 6573 5f61 7768 3c2f ied_forces_awh</\n+000356e0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000356f0: 6c3d 226e 6f6e 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222f 54.86,-1304.44\"/\n+000357e0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000357f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00035800: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+00035810: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00035820: 6163 735f 746f 706f 6c6f 6779 202d 2d3e acs_topology -->\n+00035830: 0a3c 6720 6964 3d22 6564 6765 3335 3122 .<g id=\"edge351\"\n+00035840: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00035850: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00035860: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n+00035870: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c on->modul\n+00035880: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00035890: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n+000358a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000358b0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000358c0: 2220 643d 224d 3336 3036 2e30 392c 2d33 \" d=\"M3606.09,-3\n+000358d0: 3534 2e35 3443 3335 3731 2e38 392c 2d33 54.54C3571.89,-3\n+000358e0: 3730 2e30 3720 3335 3130 2e38 342c 2d34 70.07 3510.84,-4\n+000358f0: 3034 2e30 3620 3334 3930 2c2d 3435 362e 04.06 3490,-456.\n+00035900: 3039 2033 3435 322e 3535 2c2d 3534 392e 09 3452.55,-549.\n+00035910: 3536 2033 3537 352e 3435 2c2d 3537 322e 56 3575.45,-572.\n+00035920: 3037 2033 3536 302c 2d36 3731 2e35 3720 07 3560,-671.57 \n+00035930: 3335 3233 2e39 322c 2d39 3034 2e30 3120 3523.92,-904.01 \n+00035940: 3334 3737 2e39 332c 2d31 3030 392e 3631 3477.93,-1009.61\n+00035950: 2033 3236 362c 2d31 3131 312e 3636 2033 3266,-1111.66 3\n+00035960: 3132 352e 3138 2c2d 3131 3739 2e34 3720 125.18,-1179.47 \n+00035970: 3330 3735 2e33 342c 2d31 3135 372e 3320 3075.34,-1157.3 \n+00035980: 3239 3230 2c2d 3131 3734 2e35 3320 3234 2920,-1174.53 24\n+00035990: 3834 2e32 322c 2d31 3232 322e 3836 2031 84.22,-1222.86 1\n+000359a0: 3935 322e 3739 2c2d 3132 3234 2e32 2031 952.79,-1224.2 1\n+000359b0: 3739 322e 3139 2c2d 3132 3233 2e33 3722 792.19,-1223.37\"\n+000359c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />...\n+00035a40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+00035ab0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00035ac0: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+00035ad0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00035ae0: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options</t\n+00035af0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00035b00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00035b10: 7265 6422 2064 3d22 4d33 3635 332e 3632 red\" d=\"M3653.62\n+00035b20: 2c2d 3333 322e 3837 4333 3637 382e 3036 ,-332.87C3678.06\n+00035b30: 2c2d 3332 322e 3631 2033 3731 362e 3338 ,-322.61 3716.38\n+00035b40: 2c2d 3330 362e 3532 2033 3734 332e 3432 ,-306.52 3743.42\n+00035b50: 2c2d 3239 352e 3137 222f 3e0a 3c70 6f6c ,-295.17\"/>.<pol\n+00035b60: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n+00035b70: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n+00035b80: 6e74 733d 2233 3734 342e 3935 2c2d 3239 nts=\"3744.95,-29\n+00035b90: 382e 3332 2033 3735 322e 3832 2c2d 3239 8.32 3752.82,-29\n+00035ba0: 312e 3233 2033 3734 322e 3234 2c2d 3239 1.23 3742.24,-29\n+00035bb0: 312e 3837 2033 3734 342e 3935 2c2d 3239 1.87 3744.95,-29\n+00035bc0: 382e 3332 222f 3e0a 3c2f 673e 0a3c 212d 8.32\"/>.</g>.<!-\n+00035bd0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00035be0: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+00035bf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00035c00: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n+00035c10: 6865 6c70 202d 2d3e 0a3c 6720 6964 3d22 help -->.<g id=\"\n+00035c20: 6564 6765 3335 3322 2063 6c61 7373 3d22 edge353\" class=\"\n+00035c30: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00035c40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00035c50: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+00035c60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00035c70: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70 omacs_onlinehelp\n+00035c80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module\n-00035f20: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00035f30: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-00035f40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00035f50: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00035f60: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne.\n-00036070: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-00036160: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00036170: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00036180: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00036190: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n-000361a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000361b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000361c0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-000361d0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-000361e0: 643d 224d 3133 3539 2e38 342c 2d37 3736 d=\"M1359.84,-776\n-000361f0: 2e32 3743 3134 3937 2e37 352c 2d37 3536 .27C1497.75,-756\n-00036200: 2e33 3720 3139 3133 2e37 392c 2d36 3933 .37 1913.79,-693\n-00036210: 2e31 3720 3232 3532 2c2d 3630 382e 3720 .17 2252,-608.7 \n-00036220: 3233 3330 2e37 392c 2d35 3839 2e30 3220 2330.79,-589.02 \n-00036230: 3234 3231 2e37 342c 2d35 3539 2e38 3420 2421.74,-559.84 \n-00036240: 3234 3638 2e39 2c2d 3534 342e 3231 222f 2468.9,-544.21\"/\n-00036250: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00036260: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00036270: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-00036280: 733d 2232 3437 302e 3136 2c2d 3534 372e s=\"2470.16,-547.\n-00036290: 3437 2032 3437 382e 3535 2c2d 3534 3120 47 2478.55,-541 \n-000362a0: 3234 3637 2e39 352c 2d35 3430 2e38 3320 2467.95,-540.83 \n-000362b0: 3234 3730 2e31 362c 2d35 3437 2e34 3722 2470.16,-547.47\"\n-000362c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-000362d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000362e0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-000362f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00036300: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-00036310: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n-00036320: 6533 3639 2220 636c 6173 733d 2265 6467 e369\" class=\"edg\n-00036330: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00036340: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00036350: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00036360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00036370: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n-00036380: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00036390: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000363a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-000363b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-000363c0: 2220 643d 224d 3132 3837 2e35 392c 2d37 \" d=\"M1287.59,-7\n-000363d0: 3731 2e38 3343 3132 3533 2e30 322c 2d37 71.83C1253.02,-7\n-000363e0: 3535 2e33 3720 3131 3932 2e30 352c 2d37 55.37 1192.05,-7\n-000363f0: 3230 2e39 3520 3131 3632 2c2d 3637 312e 20.95 1162,-671.\n-00036400: 3537 2031 3130 382e 3035 2c2d 3538 322e 57 1108.05,-582.\n-00036410: 3931 2031 3133 342e 3031 2c2d 3330 312e 91 1134.01,-301.\n-00036420: 3538 2031 3137 312c 2d32 3034 2e36 3120 58 1171,-204.61 \n-00036430: 3131 3734 2e39 352c 2d31 3934 2e32 3520 1174.95,-194.25 \n-00036440: 3131 3831 2e37 2c2d 3138 342e 3120 3131 1181.7,-184.1 11\n-00036450: 3838 2e32 332c 2d31 3735 2e37 3922 2f3e 88.23,-175.79\"/>\n-00036460: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00036470: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00036480: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00036490: 3d22 3131 3931 2e31 322c 2d31 3737 2e37 =\"1191.12,-177.7\n-000364a0: 3920 3131 3934 2e38 322c 2d31 3637 2e38 9 1194.82,-167.8\n-000364b0: 3620 3131 3835 2e37 342c 2d31 3733 2e33 6 1185.74,-173.3\n-000364c0: 3120 3131 3931 2e31 322c 2d31 3737 2e37 1 1191.12,-177.7\n-000364d0: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 9\"/>.</g>.<!-- m\n+00035d80: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n+00035d90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00035da0: 726f 6d61 6373 5f75 7469 6c69 7479 202d romacs_utility -\n+00035db0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3335 ->.<g id=\"edge35\n+00035dc0: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+00035dd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00035de0: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+00035df0: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n+00035e00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00035e10: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00035e20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+00036010: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00036020: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n+00036030: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00036040: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random</t\n+00036050: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00036060: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00036070: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+00036080: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00036090: 643d 224d 3335 3931 2e34 392c 2d33 3437 d=\"M3591.49,-347\n+000360a0: 2e31 3143 3334 3739 2e35 382c 2d33 3533 .11C3479.58,-353\n+000360b0: 2e38 3920 3331 3434 2e37 372c 2d33 3734 .89 3144.77,-374\n+000360c0: 2e33 3620 3238 3637 2c2d 3339 332e 3232 .36 2867,-393.22\n+000360d0: 2032 3832 332e 3432 2c2d 3339 362e 3138 2823.42,-396.18\n+000360e0: 2032 3737 332e 3634 2c2d 3339 392e 3820 2773.64,-399.8 \n+000360f0: 3237 3338 2e38 392c 2d34 3032 2e33 3822 2738.89,-402.38\"\n+00036100: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00036110: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+00036120: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n+00036130: 7473 3d22 3237 3338 2e33 322c 2d33 3938 ts=\"2738.32,-398\n+00036140: 2e39 3120 3237 3238 2e36 312c 2d34 3033 .91 2728.61,-403\n+00036150: 2e31 3420 3237 3338 2e38 342c 2d34 3035 .14 2738.84,-405\n+00036160: 2e38 3920 3237 3338 2e33 322c 2d33 3938 .89 2738.32,-398\n+00036170: 2e39 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .91\"/>.</g>.<!--\n+00036180: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00036190: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+000361a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000361b0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+000361c0: 6f72 7920 2d2d 3e0a 3c67 2069 643d 2265 ory -->.<g id=\"e\n+000361d0: 6467 6533 3534 2220 636c 6173 733d 2265 dge354\" class=\"e\n+000361e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000361f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00036200: 7365 6c65 6374 696f 6e26 2334 353b 2667 selection-&g\n+00036210: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00036220: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n+00036230: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00036240: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00036250: 3d22 2362 6662 6662 6622 2064 3d22 4d33 =\"#bfbfbf\" d=\"M3\n+00036260: 3633 382e 3434 2c2d 3333 302e 3433 4333 638.44,-330.43C3\n+00036270: 3634 382e 3336 2c2d 3331 342e 3233 2033 648.36,-314.23 3\n+00036280: 3636 312e 372c 2d32 3835 2e37 3520 3336 661.7,-285.75 36\n+00036290: 3437 2c2d 3236 372e 3438 2033 3537 342e 47,-267.48 3574.\n+000362a0: 3432 2c2d 3137 372e 3238 2033 3230 332e 42,-177.28 3203.\n+000362b0: 3133 2c2d 3136 302e 3138 2033 3036 352e 13,-160.18 3065.\n+000362c0: 3939 2c2d 3135 362e 3933 222f 3e0a 3c70 99,-156.93\"/>.<p\n+000362d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+000362e0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+000362f0: 6662 6662 6622 2070 6f69 6e74 733d 2233 fbfbf\" points=\"3\n+00036300: 3036 352e 3833 2c2d 3135 332e 3433 2033 065.83,-153.43 3\n+00036310: 3035 352e 3736 2c2d 3135 362e 3731 2033 055.76,-156.71 3\n+00036320: 3036 352e 3638 2c2d 3136 302e 3433 2033 065.68,-160.43 3\n+00036330: 3036 352e 3833 2c2d 3135 332e 3433 222f 065.83,-153.43\"/\n+00036340: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00036350: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00036360: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+00036370: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00036380: 6163 735f 7062 6375 7469 6c20 2d2d 3e0a acs_pbcutil -->.\n+00036390: 3c67 2069 643d 2265 6467 6533 3535 2220 <g id=\"edge355\" \n+000363a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000363b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000363c0: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+000363d0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+000363e0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+000363f0: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util......mod\n-00036550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00036560: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-00036570: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00036580: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n-00036590: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l...\n-00036700: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n-00036770: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n-00036780: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00036790: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-000367a0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module_\n-00036960: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n-00036970: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00036980: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00036990: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......modu\n-00036b20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00036b30: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00036b40: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-00036b50: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n-00036b60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00036b70: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00036b80: 2220 643d 224d 3137 3837 2e36 392c 2d36 \" d=\"M1787.69,-6\n-00036b90: 3731 2e36 3943 3137 3833 2e34 382c 2d37 71.69C1783.48,-7\n-00036ba0: 3132 2e38 3320 3137 3730 2e32 382c 2d38 12.83 1770.28,-8\n-00036bb0: 3437 2e33 3820 3137 3636 2c2d 3935 392e 47.38 1766,-959.\n-00036bc0: 3035 2031 3736 352e 3534 2c2d 3937 302e 05 1765.54,-970.\n-00036bd0: 3938 2031 3736 342e 3132 2c2d 3937 342e 98 1764.12,-974.\n-00036be0: 3133 2031 3736 362c 2d39 3835 2e39 3220 13 1766,-985.92 \n-00036bf0: 3137 3737 2e39 332c 2d31 3036 302e 3632 1777.93,-1060.62\n-00036c00: 2031 3739 392e 3438 2c2d 3130 3734 2e35 1799.48,-1074.5\n-00036c10: 3820 3138 3139 2c2d 3131 3437 2e36 3620 8 1819,-1147.66 \n-00036c20: 3138 3230 2e35 382c 2d31 3135 332e 3537 1820.58,-1153.57\n-00036c30: 2031 3835 362e 3232 2c2d 3133 3235 2e36 1856.22,-1325.6\n-00036c40: 3620 3138 3639 2e32 372c 2d31 3338 382e 6 1869.27,-1388.\n-00036c50: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066 71\"/>.....module_\n-00036d40: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n-00036d50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00036d60: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-00036d70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n-00036e50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00036ec0: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-00036ed0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-00036ee0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00036ef0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio....<\n-00037060: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00037070: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-00037080: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00037090: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n-000370a0: 0a3c 6720 6964 3d22 6564 6765 3338 3222 ..<\n-000370c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000370d0: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n-000370e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000370f0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec......module_src_gr\n-00037270: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n-00037280: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00037290: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-000372a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00037380: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n-00037470: 6d61 6373 5f69 6d64 2623 3435 3b26 6774 macs_imd->\n-00037480: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00037490: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility.\n-00037550: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n-00037640: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n-00037650: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00037660: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing....<\n-000377b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000377c0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-000377d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000377e0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-000377f0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564 ty -->..modu\n-00037820: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00037830: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00037840: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00037850: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-00037860: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00037870: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00037880: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00037890: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000378a0: 4d31 3831 302e 3538 2c2d 3636 362e 3533 M1810.58,-666.53\n-000378b0: 4331 3835 342e 3232 2c2d 3638 312e 3234 C1854.22,-681.24\n-000378c0: 2031 3935 362e 3233 2c2d 3731 342e 3438 1956.23,-714.48\n-000378d0: 2032 3034 342c 2d37 3334 2e34 3420 3231 2044,-734.44 21\n-000378e0: 3431 2e38 392c 2d37 3536 2e37 2032 3136 41.89,-756.7 216\n-000378f0: 382e 3735 2c2d 3734 392e 3738 2032 3236 8.75,-749.78 226\n-00037900: 372c 2d37 3730 2e34 3420 3233 3434 2e35 7,-770.44 2344.5\n-00037910: 322c 2d37 3836 2e37 3420 3235 3334 2e30 2,-786.74 2534.0\n-00037920: 372c 2d38 3435 2e39 3620 3236 3132 2c2d 7,-845.96 2612,-\n-00037930: 3836 302e 3138 2032 3735 332e 3838 2c2d 860.18 2753.88,-\n-00037940: 3838 362e 3037 2032 3932 332e 3436 2c2d 886.07 2923.46,-\n-00037950: 3839 392e 3635 2033 3030 392e 3331 2c2d 899.65 3009.31,-\n-00037960: 3930 352e 3332 222f 3e0a 3c70 6f6c 7967 905.32\"/>.<polyg\n-00037970: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00037980: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00037990: 6322 2070 6f69 6e74 733d 2233 3030 392e c\" points=\"3009.\n-000379a0: 3135 2c2d 3930 382e 3832 2033 3031 392e 15,-908.82 3019.\n-000379b0: 3335 2c2d 3930 352e 3938 2033 3030 392e 35,-905.98 3009.\n-000379c0: 362c 2d39 3031 2e38 3420 3330 3039 2e31 6,-901.84 3009.1\n-000379d0: 352c 2d39 3038 2e38 3222 2f3e 0a3c 2f67 5,-908.82\"/>.</g\n-000379e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000379f0: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n-00037a00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00037a10: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n-00037a20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00037a30: 3338 3822 2063 6c61 7373 3d22 6564 6765 388\" class=\"edge\n-00037a40: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00037a50: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-00037a60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00037a70: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-00037a80: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til....<\n-00037b70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00037b80: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-00037b90: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-00037ba0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-00037bb0: 656c 6563 7469 6f6e 202d 2d3e 0a3c 6720 election -->..module_src_gro\n-00037bf0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n-00037c00: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n-00037c10: 5f73 7263 5f67 726f 6d61 6373 5f73 656c _src_gromacs_sel\n-00037c20: 6563 7469 6f6e 3c2f 7469 746c 653e 0a3c ection.<\n-00037c30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00037c40: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00037c50: 643d 224d 3734 352e 3832 2c2d 3135 3235 d=\"M745.82,-1525\n-00037c60: 2e32 3943 3735 362e 3634 2c2d 3135 3136 .29C756.64,-1516\n-00037c70: 2e35 3120 3737 312e 352c 2d31 3530 342e .51 771.5,-1504.\n-00037c80: 3435 2037 3833 2e37 342c 2d31 3439 342e 45 783.74,-1494.\n-00037c90: 3531 222f 3e0a 3c70 6f6c 7967 6f6e 2066 51\"/>.....mod\n-00037d80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00037d90: 636f 6f72 6469 6e61 7465 696f 2623 3435 coordinateio-\n-00037da0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00037db0: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n-00037dc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-00037e30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-00037ea0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n-00037f20: 7372 635f 6772 6f6d 6163 735f 636f 6f72 src_gromacs_coor\n-00037f30: 6469 6e61 7465 696f 2623 3435 3b26 6774 dinateio->\n-00037f40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00037f50: 6163 735f 7472 616a 6563 746f 7279 3c2f acs_trajectory</\n-00037f60: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00037f70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00037f80: 2272 6564 2220 643d 224d 3638 392e 3438 \"red\" d=\"M689.48\n-00037f90: 2c2d 3135 3331 2e30 3643 3635 372e 3239 ,-1531.06C657.29\n-00037fa0: 2c2d 3135 3234 2e36 3220 3631 322e 3738 ,-1524.62 612.78\n-00037fb0: 2c2d 3135 3132 2e31 3420 3538 302c 2d31 ,-1512.14 580,-1\n-00037fc0: 3438 382e 3838 2034 3338 2e31 372c 2d31 488.88 438.17,-1\n-00037fd0: 3338 382e 3235 2034 3034 2e39 332c 2d31 388.25 404.93,-1\n-00037fe0: 3333 382e 3520 3334 372c 2d31 3137 342e 338.5 347,-1174.\n-00037ff0: 3533 2033 3337 2e36 362c 2d31 3134 382e 53 337.66,-1148.\n-00038000: 3120 3334 342e 3031 2c2d 3131 3339 2e36 1 344.01,-1139.6\n-00038010: 3220 3334 322c 2d31 3131 312e 3636 2033 2 342,-1111.66 3\n-00038020: 3338 2e38 392c 2d31 3036 382e 3339 2033 38.89,-1068.39 3\n-00038030: 3137 2c2d 3736 352e 3339 2033 3137 2c2d 17,-765.39 317,-\n-00038040: 3732 322e 3031 2033 3137 2c2d 3732 322e 722.01 317,-722.\n-00038050: 3031 2033 3137 2c2d 3732 322e 3031 2033 01 317,-722.01 3\n-00038060: 3137 2c2d 3635 372e 3134 2033 3137 2c2d 17,-657.14 317,-\n-00038070: 3539 372e 3336 2033 3432 2e37 352c 2d34 597.36 342.75,-4\n-00038080: 3436 2e39 3220 3336 392c 2d33 3933 2e32 46.92 369,-393.2\n-00038090: 3220 3337 342e 3135 2c2d 3338 322e 3638 2 374.15,-382.68\n-000380a0: 2033 3832 2e30 342c 2d33 3732 2e34 3420 382.04,-372.44 \n-000380b0: 3338 392e 3436 2c2d 3336 342e 3131 222f 389.46,-364.11\"/\n-000380c0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-000380d0: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n-000380e0: 6422 2070 6f69 6e74 733d 2233 3932 2e30 d\" points=\"392.0\n-000380f0: 352c 2d33 3636 2e34 3720 3339 362e 3331 5,-366.47 396.31\n-00038100: 2c2d 3335 362e 3737 2033 3836 2e39 332c ,-356.77 386.93,\n-00038110: 2d33 3631 2e36 3920 3339 322e 3035 2c2d -361.69 392.05,-\n-00038120: 3336 362e 3437 222f 3e0a 3c2f 673e 0a3c 366.47\"/>.</g>.<\n-00038130: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00038140: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-00038150: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-00038160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-00038170: 7074 696f 6e73 202d 2d3e 0a3c 6720 6964 ptions -->.<g id\n-00038180: 3d22 6564 6765 3339 3122 2063 6c61 7373 =\"edge391\" class\n-00038190: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-000381a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000381b0: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n-000381c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000381d0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n-000381e0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......m\n-000386a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000386b0: 735f 636f 6f72 6469 6e61 7465 696f 2623 s_coordinateio&#\n-000386c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000386d0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-000386e0: 746f 7279 616e 616c 7973 6973 3c2f 7469 toryanalysis</ti\n-000386f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00038700: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00038710: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n-00038720: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00038730: 3d22 4d37 3638 2e30 372c 2d31 3534 372e =\"M768.07,-1547.\n-00038740: 3134 4338 3132 2e37 392c 2d31 3535 372e 14C812.79,-1557.\n-00038750: 3336 2038 3837 2e37 352c 2d31 3537 352e 36 887.75,-1575.\n-00038760: 3339 2039 3336 2e33 342c 2d31 3538 372e 39 936.34,-1587.\n-00038770: 3536 222f 3e0a 3c70 6f6c 7967 6f6e 2066 56\"/>.<polygon f\n-00038780: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n-00038790: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n-000387a0: 6f69 6e74 733d 2239 3335 2e37 332c 2d31 oints=\"935.73,-1\n-000387b0: 3539 312e 3032 2039 3436 2e32 382c 2d31 591.02 946.28,-1\n-000387c0: 3539 302e 3037 2039 3337 2e34 342c 2d31 590.07 937.44,-1\n-000387d0: 3538 342e 3233 2039 3335 2e37 332c 2d31 584.23 935.73,-1\n-000387e0: 3539 312e 3032 222f 3e0a 3c2f 673e 0a3c 591.02\"/>.</g>.<\n-000387f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00038800: 726f 6d61 6373 5f72 616e 646f 6d26 2334 romacs_random\n-00038810: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00038820: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-00038830: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00038840: 3339 3722 2063 6c61 7373 3d22 6564 6765 397\" class=\"edge\n-00038850: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00038860: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-00038870: 646f 6d26 2334 353b 2667 743b 6d6f 6475 dom->modu\n-00038880: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00038890: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-000388a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000388b0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-000388c0: 224d 3932 372e 3431 2c2d 3531 382e 3933 \"M927.41,-518.93\n-000388d0: 4339 3334 2e38 332c 2d34 3936 2e38 3220 C934.83,-496.82 \n-000388e0: 3934 392c 2d34 3439 2e31 3420 3934 392c 949,-449.14 949,\n-000388f0: 2d34 3037 2e36 3620 3934 392c 2d34 3037 -407.66 949,-407\n-00038900: 2e36 3620 3934 392c 2d34 3037 2e36 3620 .66 949,-407.66 \n-00038910: 3934 392c 2d32 3739 2e39 3220 3934 392c 949,-279.92 949,\n-00038920: 2d32 3435 2e37 3920 3933 392e 3838 2c2d -245.79 939.88,-\n-00038930: 3232 382e 3735 2039 3634 2c2d 3230 342e 228.75 964,-204.\n-00038940: 3631 2039 3932 2e31 342c 2d31 3736 2e34 61 992.14,-176.4\n-00038950: 3420 3131 3036 2e39 362c 2d31 3633 2e36 4 1106.96,-163.6\n-00038960: 3520 3131 3637 2e37 382c 2d31 3538 2e37 5 1167.78,-158.7\n-00038970: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.\n-000389e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n-00038a60: 6d61 6373 5f70 6263 7574 696c 2623 3435 macs_pbcutil-\n-00038a70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00038a80: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-00038a90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modul\n-00038c90: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n-00038ca0: 6375 7469 6c26 2334 353b 2667 743b 6d6f cutil->mo\n-00038cb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00038cc0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n-00038cd0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00038ce0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00038cf0: 6266 6266 2220 643d 224d 3137 3739 2e38 bfbf\" d=\"M1779.8\n-00038d00: 392c 2d34 3033 2e32 3743 3139 3030 2e36 9,-403.27C1900.6\n-00038d10: 332c 2d33 3933 2e39 3420 3233 3431 2e32 3,-393.94 2341.2\n-00038d20: 342c 2d33 3539 2e39 3120 3234 3838 2e36 4,-359.91 2488.6\n-00038d30: 312c 2d33 3438 2e35 3222 2f3e 0a3c 706f 1,-348.52\"/>.<po\n-00038d40: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00038d50: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00038d60: 6266 6266 2220 706f 696e 7473 3d22 3234 bfbf\" points=\"24\n-00038d70: 3839 2e30 312c 2d33 3532 2032 3439 382e 89.01,-352 2498.\n-00038d80: 3731 2c2d 3334 372e 3734 2032 3438 382e 71,-347.74 2488.\n-00038d90: 3437 2c2d 3334 352e 3032 2032 3438 392e 47,-345.02 2489.\n-00038da0: 3031 2c2d 3335 3222 2f3e 0a3c 2f67 3e0a 01,-352\"/>.</g>.\n-00038db0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00038dc0: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n-00038dd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00038de0: 7263 5f67 726f 6d61 6373 5f6d 6174 6820 rc_gromacs_math \n-00038df0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->.<g id=\"edge4\n-00038e00: 3030 2220 636c 6173 733d 2265 6467 6522 00\" class=\"edge\"\n-00038e10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00038e20: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-00038e30: 7469 6c26 2334 353b 2667 743b 6d6f 6475 til->modu\n-00038e40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00038e50: 6174 683c 2f74 6974 6c65 3e0a 3c70 6174 ath.\n-00038f40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-00038fb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gr\n-00039030: 6f6d 6163 735f 7062 6375 7469 6c26 2334 omacs_pbcutil\n-00039040: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00039050: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-00039060: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....\n-00039310: 0a3c 6720 6964 3d22 6564 6765 3430 3222 ..<\n-00039330: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00039340: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n-00039350: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00039360: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00039370: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory.<\n-00039380: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00039390: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000393a0: 2220 643d 224d 3137 3137 2e35 322c 2d34 \" d=\"M1717.52,-4\n-000393b0: 3034 2e32 3343 3135 3431 2e34 342c 2d33 04.23C1541.44,-3\n-000393c0: 3936 2e32 3320 3637 382e 3439 2c2d 3335 96.23 678.49,-35\n-000393d0: 372e 3033 2034 3539 2e35 372c 2d33 3437 7.03 459.57,-347\n-000393e0: 2e30 3822 2f3e 0a3c 706f 6c79 676f 6e20 .08\"/>.....m\n-00039670: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00039680: 735f 7062 6375 7469 6c26 2334 353b 2667 s_pbcutil-&g\n-00039690: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000396a0: 6d61 6373 5f73 696d 643c 2f74 6974 6c65 macs_simd</title\n-000396b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000396c0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-000396d0: 6663 6322 2064 3d22 4d31 3737 372e 3537 fcc\" 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2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000397d0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-000397e0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000397f0: 3431 3522 2063 6c61 7373 3d22 6564 6765 415\" class=\"edge\n-00039800: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00039810: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00039820: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-00039830: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00039840: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-00039850: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...<\n-00039940: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n-000399c0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000399d0: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-000399e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000399f0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00039a00: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module\n-00039b70: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00039b80: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-00039b90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00039ba0: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c rc_gromacs_topol\n-00039bb0: 6f67 793c 2f74 6974 6c65 3e0a 3c70 6174 ogy...\n-00039cd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00039d50: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00039d60: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-00039d70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00039d80: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00039d90: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io...<\n-00039ee0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00039f60: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00039f70: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-00039f80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00039f90: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00039fa0: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing.....<\n-0003a1d0: 6720 6964 3d22 6564 6765 3432 3322 2063 g id=\"edge423\" c\n-0003a1e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0003a200: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0003a210: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-0003a220: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003a230: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n-0003a240: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n-0003a330: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0003a3a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-0003a420: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003a430: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-0003a440: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n-0003a450: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-0003a460: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility...\n-0003a660: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n-0003a940: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003a950: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-0003a960: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n-0003a970: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0003a980: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-0003a990: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0003a9a0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0003a9b0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0003a9c0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0003a9d0: 4d32 3136 392e 3835 2c2d 3132 3834 2e34 M2169.85,-1284.4\n-0003a9e0: 3943 3232 3731 2e33 392c 2d31 3237 382e 9C2271.39,-1278.\n-0003a9f0: 3433 2032 3633 392e 3431 2c2d 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5f61 le_src_gromacs_a\n-0003ae60: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n-0003ae70: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n-0003ae80: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-0003ae90: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom.\n-0003af70: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-0003b060: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0003b070: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n-0003b080: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003b090: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n-0003b0a0: 6c3c 2f74 6974 6c65 3e0a 3c70 6174 6820 l.....\n-0003b260: 3c67 2069 643d 226e 6f64 6535 3022 2063 .module_src_p\n-0003b290: 726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n-0003b2a0: 7374 733c 2f74 6974 6c65 3e0a 3c67 2069 sts.\n-0003b330: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-0003b3e0: 6d64 7275 6e5f 696e 7465 6772 6174 696f 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6174 6820 6669 /title>.<path fi\n-0003bd40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0003bd50: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n-0003bd60: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0003bd70: 2220 643d 224d 3431 3135 2e33 382c 2d31 \" d=\"M4115.38,-1\n-0003bd80: 3737 362e 3139 4334 3130 342e 3439 2c2d 776.19C4104.49,-\n-0003bd90: 3137 3534 2e32 3420 3430 3834 2c2d 3137 1754.24 4084,-17\n-0003bda0: 3037 2e33 3120 3430 3834 2c2d 3136 3635 07.31 4084,-1665\n-0003bdb0: 2e30 3620 3430 3834 2c2d 3136 3635 2e30 .06 4084,-1665.0\n-0003bdc0: 3620 3430 3834 2c2d 3136 3635 2e30 3620 6 4084,-1665.06 \n-0003bdd0: 3430 3834 2c2d 3430 352e 3636 2034 3038 4084,-405.66 408\n-0003bde0: 342c 2d33 3939 2e30 3420 3430 3730 2e30 4,-399.04 4070.0\n-0003bdf0: 372c 2d33 3635 2e34 3120 3339 3338 2c2d 7,-365.41 3938,-\n-0003be00: 3333 302e 3335 2033 3833 332e 3637 2c2d 330.35 3833.67,-\n-0003be10: 3330 322e 3635 2033 3036 392e 3638 2c2d 302.65 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6534 3236 2220 636c 6173 733d \"edge426\" class=\n-0003bf10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0003bf20: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-0003bf30: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-0003bf40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003bf50: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0003bf60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0003c160: 6475 6c65 5f73 7263 5f70 726f 6772 616d dule_src_program\n-0003c170: 735f 6d64 7275 6e5f 7465 7374 7326 2334 s_mdrun_tests\n-0003c180: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003c190: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-0003c1a0: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory......m\n-0003c390: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-0003c3a0: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-0003c3b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003c3c0: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-0003c3d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n-0003c570: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-0003c5f0: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n-0003c600: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n-0003c610: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0003c620: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0003c630: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..<\n-0003c770: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0003c780: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-0003c790: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-0003c7a0: 3138 3230 2e31 362c 2d31 3135 382e 3920 1820.16,-1158.9 \n-0003c7b0: 3138 3130 2e31 342c 2d31 3136 322e 3334 1810.14,-1162.34\n-0003c7c0: 2031 3832 302e 3132 2c2d 3131 3635 2e39 1820.12,-1165.9\n-0003c7d0: 2031 3832 302e 3136 2c2d 3131 3538 2e39 1820.16,-1158.9\n-0003c7e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>....m\n-0003ca90: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-0003caa0: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-0003cab0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003cac0: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-0003cad0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n-0003cc50: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_prog\n-0003cce0: 7261 6d73 5f6d 6472 756e 5f74 6573 7473 rams_mdrun_tests\n-0003ccf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0003cd00: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0003cd10: 6563 746f 7279 616e 616c 7973 6973 3c2f ectoryanalysis.....<\n-0003d0c0: 6720 6964 3d22 6564 6765 3433 3222 2063 g id=\"edge432\" c\n-0003d0d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_p\n-0003d0f0: 726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n-0003d100: 7374 7326 2334 353b 2667 743b 6d6f 6475 sts->modu\n-0003d110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-0003d120: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n-0003d130: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0003d140: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-0003d150: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0003d160: 6179 3d22 352c 3222 2064 3d22 4d34 3035 ay=\"5,2\" d=\"M405\n-0003d170: 362e 3035 2c2d 3137 3831 2e31 3843 3339 6.05,-1781.18C39\n-0003d180: 3838 2e37 322c 2d31 3736 392e 3239 2033 88.72,-1769.29 3\n-0003d190: 3839 342c 2d31 3733 392e 3337 2033 3839 894,-1739.37 389\n-0003d1a0: 342c 2d31 3636 352e 3036 2033 3839 342c 4,-1665.06 3894,\n-0003d1b0: 2d31 3636 352e 3036 2033 3839 342c 2d31 -1665.06 3894,-1\n-0003d1c0: 3636 352e 3036 2033 3839 342c 2d35 3331 665.06 3894,-531\n-0003d1d0: 2e34 2033 3839 342c 2d34 3231 2e39 3520 .4 3894,-421.95 \n-0003d1e0: 3230 3930 2e38 332c 2d34 3039 2e31 3820 2090.83,-409.18 \n-0003d1f0: 3137 3931 2e30 312c 2d34 3037 2e38 3122 1791.01,-407.81\"\n-0003d200: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.\n-0003d270: 0a3c 2f67 3e0a 3c2f 673e 0a3c 2f73 7667 ....\n+000364f0: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+00036500: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00036510: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->..module_src_gr\n+00036550: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+00036560: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00036570: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib..\n+000366c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n+000367b0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000367c0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+000367d0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+000367e0: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n+000367f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00036800: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+00036810: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00036820: 6179 3d22 352c 3222 2064 3d22 4d39 3935 ay=\"5,2\" d=\"M995\n+00036830: 2e35 2c2d 3835 302e 3636 4331 3130 302e .5,-850.66C1100.\n+00036840: 3535 2c2d 3836 312e 3135 2031 3434 352e 55,-861.15 1445.\n+00036850: 3939 2c2d 3839 392e 3536 2031 3533 382c 99,-899.56 1538,\n+00036860: 2d39 3539 2e30 3520 3136 3336 2e38 342c -959.05 1636.84,\n+00036870: 2d31 3032 322e 3936 2031 3730 382e 3231 -1022.96 1708.21\n+00036880: 2c2d 3131 3530 2e39 2031 3733 332e 3732 ,-1150.9 1733.72\n+00036890: 2c2d 3132 3031 2e35 3822 2f3e 0a3c 706f ,-1201.58\"/>.....module_\n+00036990: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000369a0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+000369b0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+000369c0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+000369d0: 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302e 3733 222f 3e0a 4.99,-790.73\"/>.\n+00036ac0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00036ad0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00036ae0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00036af0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00036b00: 6162 6c65 7320 2d2d 3e0a 3c67 2069 643d ables -->.<g id=\n+00036b10: 2265 6467 6533 3634 2220 636c 6173 733d \"edge364\" class=\n+00036b20: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00036b30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00036b40: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+00036b50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00036b60: 6163 735f 7461 626c 6573 3c2f 7469 746c acs_tables</titl\n+00036b70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00036b80: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+00036b90: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" 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2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00036c90: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+00036ca0: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n+00036cb0: 6533 3636 2220 636c 6173 733d 2265 6467 e366\" class=\"edg\n+00036cc0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00036cd0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00036ce0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+00036cf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00036d00: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald......\n+00037150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00037160: 6373 5f67 6d78 6c69 6226 2334 353b 2667 cs_gmxlib-&g\n+00037170: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00037180: 6d61 6373 5f73 696d 643c 2f74 6974 6c65 macs_simd</title\n+00037190: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000371a0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" 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6467 e358\" class=\"edg\n+00037380: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00037390: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000373a0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+000373b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000373c0: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+000373d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gr\n+000375a0: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+000375b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000375c0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+000375d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_grom\n+00037760: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n+00037770: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00037780: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math......mo\n+00037990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000379a0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+000379b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000379c0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+000379d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000379e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000379f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00037a00: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00037a10: 2220 643d 224d 3139 3339 2e30 342c 2d31 \" d=\"M1939.04,-1\n+00037a20: 3533 372e 3133 4331 3739 382e 312c 2d31 537.13C1798.1,-1\n+00037a30: 3533 352e 3936 2031 3134 392e 3438 2c2d 535.96 1149.48,-\n+00037a40: 3135 3238 2e34 3820 3130 3730 2c2d 3134 1528.48 1070,-14\n+00037a50: 3838 2e38 3820 3935 342e 3739 2c2d 3134 88.88 954.79,-14\n+00037a60: 3331 2e34 3820 3936 372e 3534 2c2d 3133 31.48 967.54,-13\n+00037a70: 3337 2e32 3820 3939 302c 2d31 3231 302e 37.28 990,-1210.\n+00037a80: 3533 2039 3935 2e31 392c 2d31 3138 312e 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1548.93,\n+00037d40: 2d31 3337 332e 3637 222f 3e0a 3c2f 673e -1373.67\"/>.</g>\n+00037d50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00037d60: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+00037d70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00037d80: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+00037d90: 6779 202d 2d3e 0a3c 6720 6964 3d22 6564 gy -->.<g id=\"ed\n+00037da0: 6765 3337 3422 2063 6c61 7373 3d22 6564 ge374\" class=\"ed\n+00037db0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00037dc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00037dd0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00037de0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00037df0: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n+00037e00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+00037fc0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00037fd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00037fe0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio.\n+00038110: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+000381d0: 6720 6964 3d22 6564 6765 3337 3322 2063 g id=\"edge373\" c\n+000381e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00038200: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00038210: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00038220: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+00038230: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......mod\n+000384a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000384b0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+000384c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000384d0: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft......modu\n+00038920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00038930: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00038940: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00038950: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald....\n+00038c00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00038c70: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00038c80: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00038c90: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+00038ca0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......\n+00038e90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00038ea0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n+00038eb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00038ec0: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+00038ed0: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g...<\n+000390f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+00039160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00039170: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00039180: 756c 655f 7372 635f 6772 6f6d 6163 735f 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e_src_gromacs_ma\n+0003aef0: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th......module_src_gro\n+0003b120: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n+0003b130: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0003b140: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib...\n+0003b2d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mo\n+0003b340: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003b350: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+0003b360: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0003b370: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+0003b380: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0003b390: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0003b3a0: 6266 6266 6266 2220 643d 224d 3130 3834 bfbfbf\" d=\"M1084\n+0003b3b0: 2e36 332c 2d31 3034 352e 3037 4331 3133 .63,-1045.07C113\n+0003b3c0: 372e 3531 2c2d 3130 3634 2e33 3320 3132 7.51,-1064.33 12\n+0003b3d0: 3530 2e34 322c 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gromacs_mdtypes&\n+0003b4c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0003b4d0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0003b4e0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n+0003b4f0: 6534 3031 2220 636c 6173 733d 2265 6467 e401\" class=\"edg\n+0003b500: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0003b510: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0003b520: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+0003b530: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003b540: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0003b550: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+0003b740: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0003b750: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0003b760: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0003b770: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec......module_src_grom\n+0003b8f0: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0003b900: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003b910: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald...\n+0003bad0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n+0003bb50: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0003bb60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003bb70: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility....\n+0003bcd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+0003bd40: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0003bd50: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+0003bd60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003bd70: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n+0003bd80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+0003bee0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003bef0: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+0003bf00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003bf10: 635f 6772 6f6d 6163 735f 7062 6375 7469 c_gromacs_pbcuti\n+0003bf20: 6c20 2d2d 3e0a 3c67 2069 643d 2265 6467 l -->..modul\n+0003bf50: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0003bf60: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+0003bf70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003bf80: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+0003bf90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+0003c3c0: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0003c3d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003c3e0: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math..\n+0003c5e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+0003c650: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+0003c6d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0003c6e0: 6474 7970 6573 2623 3435 3b26 6774 3b6d dtypes->m\n+0003c6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003c700: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0003c710: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh..\n+0003c800: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n+0003c8f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0003c900: 6174 6826 2334 353b 2667 743b 6d6f 6475 ath->modu\n+0003c910: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0003c920: 696e 6561 7261 6c67 6562 7261 3c2f 7469 inearalgebra</ti\n+0003c930: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0003c940: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0003c950: 6266 6266 6266 2220 643d 224d 3331 3031 bfbfbf\" d=\"M3101\n+0003c960: 2e31 312c 2d38 382e 3431 4333 3138 352e .11,-88.41C3185.\n+0003c970: 3531 2c2d 3739 2e30 3520 3334 3532 2e32 51,-79.05 3452.2\n+0003c980: 312c 2d34 392e 3438 2033 3536 382e 3638 1,-49.48 3568.68\n+0003c990: 2c2d 3336 2e35 3722 2f3e 0a3c 706f 6c79 ,-36.57\"/>.<poly\n+0003c9a0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+0003c9b0: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+0003c9c0: 6266 2220 706f 696e 7473 3d22 3335 3639 bf\" points=\"3569\n+0003c9d0: 2e32 352c 2d34 302e 3033 2033 3537 382e .25,-40.03 3578.\n+0003c9e0: 382c 2d33 352e 3435 2033 3536 382e 3438 8,-35.45 3568.48\n+0003c9f0: 2c2d 3333 2e30 3720 3335 3639 2e32 352c ,-33.07 3569.25,\n+0003ca00: 2d34 302e 3033 222f 3e0a 3c2f 673e 0a3c -40.03\"/>.</g>.<\n+0003ca10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003ca20: 726f 6d61 6373 5f6d 6174 6826 2334 353b romacs_math-\n+0003ca30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003ca40: 726f 6d61 6373 5f6d 6473 7061 6e20 2d2d romacs_mdspan --\n+0003ca50: 3e0a 3c67 2069 643d 2265 6467 6534 3034 >.<g id=\"edge404\n+0003ca60: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0003ca70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0003ca80: 635f 6772 6f6d 6163 735f 6d61 7468 2623 c_gromacs_math&#\n+0003ca90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003caa0: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n+0003cab0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0003cbd0: 0a3c 6720 6964 3d22 6564 6765 3430 3322 ..<\n+0003cbf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003cc00: 5f67 726f 6d61 6373 5f6d 6174 6826 2334 _gromacs_math\n+0003cc10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0003cc20: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+0003cc30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+0003cdf0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0003ce70: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0003ce80: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+0003ce90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003cea0: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+0003ceb0: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy..\n+0003cfa0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+0003d020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0003d030: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+0003d040: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+0003d050: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0003d060: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......module_src_gr\n+0003d200: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0003d210: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n+0003d220: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0003d230: 6163 735f 7075 6c6c 696e 673c 2f74 6974 acs_pulling......module_src_gro\n+0003d3f0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0003d400: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n+0003d410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003d420: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility....\n+0003d560: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+0003d5b0: 0a3c 6720 6964 3d22 6564 6765 3432 3222 ..<\n+0003d5d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003d5e0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0003d5f0: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n+0003d600: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003d610: 726f 6d61 6373 5f74 696d 696e 673c 2f74 romacs_timing......module\n+0003d840: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+0003d850: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n+0003d860: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0003d870: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0003d880: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+0003d890: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+0003daf0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0003db00: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n+0003db10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003db20: 6373 5f73 696d 643c 2f74 6974 6c65 3e0a cs_simd.\n+0003db30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+0003dd50: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0003dd60: 6573 5f61 7768 2623 3435 3b26 6774 3b6d es_awh->m\n+0003dd70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003dd80: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n+0003dd90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+0003df60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0003df70: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0003df80: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n+0003df90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0003dfa0: 6d61 6373 5f74 7261 6a65 6374 6f72 7920 macs_trajectory \n+0003dfb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->..module_\n+0003dfe0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0003dff0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+0003e000: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003e010: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+0003e020: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory..\n+0003e250: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n+0003e340: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003e350: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+0003e360: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+0003e370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0003e380: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n+0003e390: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003e3a0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0003e3b0: 2220 643d 224d 3139 3038 2e35 372c 2d31 \" d=\"M1908.57,-1\n+0003e3c0: 3238 332e 3643 3138 3239 2e36 332c 2d31 283.6C1829.63,-1\n+0003e3d0: 3237 362e 3838 2031 3538 382e 3637 2c2d 276.88 1588.67,-\n+0003e3e0: 3132 3536 2e32 3320 3133 3839 2c2d 3132 1256.23 1389,-12\n+0003e3f0: 3337 2e34 2031 3236 392e 3338 2c2d 3132 37.4 1269.38,-12\n+0003e400: 3236 2e31 3220 3132 3339 2e37 312c 2d31 26.12 1239.71,-1\n+0003e410: 3232 302e 3738 2031 3132 302c 2d31 3231 220.78 1120,-121\n+0003e420: 302e 3533 2031 3036 332e 3935 2c2d 3132 0.53 1063.95,-12\n+0003e430: 3035 2e37 3320 3636 322e 3435 2c2d 3132 05.73 662.45,-12\n+0003e440: 3034 2e37 3420 3631 352c 2d31 3137 342e 04.74 615,-1174.\n+0003e450: 3533 2035 3834 2e34 362c 2d31 3135 352e 53 584.46,-1155.\n+0003e460: 3039 2034 3734 2e38 352c 2d31 3038 392e 09 474.85,-1089.\n+0003e470: 3133 2033 3834 2c2d 3733 342e 3434 2033 13 384,-734.44 3\n+0003e480: 3831 2e35 332c 2d37 3234 2e37 3820 3338 81.53,-724.78 38\n+0003e490: 322e 3333 2c2d 3635 342e 3637 2033 3832 2.33,-654.67 382\n+0003e4a0: 2c2d 3634 342e 3720 3338 302e 3334 2c2d ,-644.7 380.34,-\n+0003e4b0: 3539 352e 3231 2033 3737 2c2d 3538 322e 595.21 377,-582.\n+0003e4c0: 3931 2033 3737 2c2d 3533 332e 3420 3337 91 377,-533.4 37\n+0003e4d0: 372c 2d35 3333 2e34 2033 3737 2c2d 3533 7,-533.4 377,-53\n+0003e4e0: 332e 3420 3337 372c 2d33 3432 2e37 3920 3.4 377,-342.79 \n+0003e4f0: 3337 372c 2d33 3035 2e38 3820 3338 332e 377,-305.88 383.\n+0003e500: 3337 2c2d 3239 302e 3737 2034 3132 2c2d 37,-290.77 412,-\n+0003e510: 3236 372e 3438 2034 3539 2e31 352c 2d32 267.48 459.15,-2\n+0003e520: 3239 2e31 3320 3533 312e 3239 2c2d 3232 29.13 531.29,-22\n+0003e530: 302e 3038 2035 3736 2e37 372c 2d32 3138 0.08 576.77,-218\n+0003e540: 2e35 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .5\"/>.....mod\n+0003e630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0003e640: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+0003e650: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+0003e660: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0003e670: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......mo\n+0003e860: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003e870: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+0003e880: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+0003e890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0003e8a0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0003e8b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003e8c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0003e8d0: 2220 643d 224d 3139 3039 2e34 352c 2d31 \" d=\"M1909.45,-1\n+0003e8e0: 3238 322e 3333 4331 3832 392c 2d31 3237 282.33C1829,-127\n+0003e8f0: 302e 3133 2031 3537 352e 3436 2c2d 3132 0.13 1575.46,-12\n+0003e900: 3237 2e33 3820 3133 3730 2c2d 3131 3734 27.38 1370,-1174\n+0003e910: 2e35 3320 3132 3830 2e31 372c 2d31 3135 .53 1280.17,-115\n+0003e920: 312e 3432 2031 3235 352e 3333 2c2d 3131 1.42 1255.33,-11\n+0003e930: 3530 2e32 3920 3131 3731 2c2d 3131 3131 50.29 1171,-1111\n+0003e940: 2e36 3620 3131 3335 2e38 342c 2d31 3039 .66 1135.84,-109\n+0003e950: 352e 3536 2031 3039 382e 3432 2c2d 3130 5.56 1098.42,-10\n+0003e960: 3731 2e32 3620 3130 3736 2e34 342c 2d31 71.26 1076.44,-1\n+0003e970: 3035 342e 3635 222f 3e0a 3c70 6f6c 7967 054.65\"/>.....\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "unified_diff": "@@ -68,15 +68,15 @@\n
\n
Module dependency graph
\n
\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/manual-2022.5-Debian_2022.5_2.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2022.5-Debian_2022.5_2.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17478,15 +17478,15 @@\n Karkoulis, Peter Kasson, Jiri Kraus, Per Larsson, Justin A. Lemkul, Viveca Lindahl, Erik Marklund,\n Pieter Meulenhoff, Vedran Miletic, Teemu Murtola, Sander Pronk, Alexey Shvetsov, Alfons Sijbers,\n Peter Tieleman, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf\n Project leaders: Paul Bauer, Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG\n Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2025:\n+\u00a9 2001 \u2013 2024:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala\n University, Sweden.\n This manual is not complete and has no pretension to be so due to lack of time of the contributors \u2013\n our first priority is to improve the software. It is worked on continuously, which in some cases might\n mean the information is not entirely correct.\n Comments on form and content are welcome, please send them to one of the mailing lists (see our\n webpage or this section on how to contribute (page 616)), or open an issue on our issue tracker.\n"}]}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "unified_diff": "@@ -59,15 +59,15 @@\n

Project leaders:\n Paul Bauer, Berk Hess, 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": "@@ -31,15 +31,15 @@\n Marklund, Pieter Meulenhoff, Vedran Miletic, Teemu Murtola, Sander Pronk,\n Alexey Shvetsov, Alfons Sijbers, Peter Tieleman, Jon Vincent, Teemu Virolainen,\n Christian Wennberg, Maarten Wolf\n Project leaders: Paul Bauer, Berk Hess, 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": "@@ -822,15 +822,15 @@\n \"ftp\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 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165, 181, 204, 218, 219, 220, 224, 231, 261, 279, 307, 309, 310, 323],\n \"account\": [1, 5, 22, 35, 36, 39, 43, 47, 52, 56, 57, 58, 59, 62, 78, 90, 94, 97, 107, 151, 155, 162, 177, 182, 185, 188, 196, 197, 205, 206, 233, 293, 295, 313, 321, 323],\n@@ -8080,14 +8080,15 @@\n \"parallez\": 219,\n \"flavour\": [219, 222],\n \"presum\": [219, 327],\n \"sm_60\": [219, 228],\n \"honour\": 219,\n \"gmx_maxconstrwarn\": [219, 312],\n \"2058\": 219,\n+ \"2025\": 219,\n \"1ulp\": 219,\n \"wasn\": [219, 222, 238, 259, 294],\n \"4ulp\": 219,\n \"wallcycl\": [219, 323],\n \"2037\": [219, 235, 246],\n \"februari\": [220, 223, 236, 246, 251, 267, 297, 302],\n \"weakli\": [220, 228, 284],\n@@ -8448,15 +8449,14 @@\n \"atomnumb\": 238,\n \"2268\": 238,\n \"2318\": 238,\n \"ctrl\": [238, 320, 322],\n \"2322\": 238,\n \"uniq\": 238,\n \"2313\": 238,\n- \"2024\": 238,\n \"read_first_x\": 238,\n \"2157\": 238,\n \"2339\": 238,\n \"2170\": 238,\n \"2225\": 238,\n \"2333\": 238,\n \"1063\": [239, 240],\n"}]}]}]}]}]}