X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB044.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB044.stat;h=0000000000000000000000000000000000000000;hb=39bffec2e960cdaa362c075425c0aa94bbd673c9;hp=79e44d71acb1e7a17b9c9659c382b47783458e09;hpb=036e8e1e671a1293c1f636d9246e3dfd74f38ec1;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat deleted file mode 100644 index 79e44d7..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 29.889 113.174 143.064 12.87 0.000 NaN NaN 4.850 271.171 360.000 15.552 44 - 10000 2000.00 31.097 12.066 43.163 4.97 0.286 0.500 0.347 0.390 282.127 360.000 7.901 44 - 20000 4000.00 40.739 7.321 48.060 7.28 0.000 1.000 0.290 0.602 369.603 360.000 7.869 44 - 30000 6000.00 39.568 7.474 47.042 5.44 0.071 0.667 0.697 0.326 358.985 360.000 7.909 44 - 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370000 74000.00 40.669 -4.002 36.667 6.68 0.000 1.000 0.409 0.426 368.971 390.000 7.927 44 - 380000 76000.00 38.710 8.911 47.621 5.89 0.143 0.600 0.309 0.223 351.193 390.000 7.496 44 - 390000 78000.00 44.275 13.681 57.956 4.71 0.143 0.333 0.136 0.870 401.686 390.000 8.552 44 - 400000 80000.00 36.109 20.522 56.631 5.57 0.000 1.000 0.500 0.684 327.601 390.000 8.634 44 - 410000 82000.00 44.113 8.808 52.921 10.74 0.071 0.000 0.136 0.692 400.216 400.000 13.322 44 - 420000 84000.00 32.486 13.245 45.731 7.28 0.071 0.667 0.167 0.947 294.727 400.000 10.381 44 - 430000 86000.00 49.291 7.246 56.537 8.04 0.000 1.000 0.182 0.495 447.194 400.000 9.856 44 - 440000 88000.00 48.225 10.866 59.091 8.28 0.071 0.667 0.136 1.342 437.526 400.000 12.791 44 - 450000 90000.00 46.959 14.126 61.085 6.95 0.071 0.833 0.212 0.584 426.034 400.000 9.510 44 - 460000 92000.00 45.806 14.329 60.135 5.51 0.143 0.750 0.205 0.308 415.578 400.000 8.560 44 - 470000 94000.00 46.136 12.743 58.879 9.62 0.071 0.000 0.136 0.786 418.570 400.000 12.419 44 - 480000 96000.00 45.618 23.025 68.643 6.06 0.000 1.000 0.136 0.871 413.867 400.000 9.408 44 - 490000 98000.00 43.802 -2.135 41.668 5.21 0.000 1.000 0.485 1.073 397.399 400.000 7.804 44 - 500000 100000.00 42.975 9.918 52.893 8.01 0.000 NaN NaN 0.211 389.893 400.000 10.174 44 - 510000 102000.00 47.002 17.975 64.978 6.81 0.000 NaN NaN 0.632 426.431 400.000 9.803 44 - 520000 104000.00 41.450 7.742 49.192 6.29 0.071 0.800 0.391 0.456 376.058 400.000 8.265 44 - 530000 106000.00 25.708 2.728 28.436 5.43 0.000 1.000 0.200 0.344 233.239 400.000 8.094 44 - 540000 108000.00 38.104 5.431 43.535 8.23 0.143 0.333 0.182 0.614 345.702 400.000 9.115 44 - 550000 110000.00 40.540 15.492 56.032 7.24 0.071 0.750 0.159 0.556 367.797 400.000 10.877 44 - 560000 112000.00 38.207 6.592 44.799 5.89 0.000 NaN NaN 0.369 346.634 400.000 10.268 44 - 570000 114000.00 46.310 13.643 59.954 9.96 0.000 1.000 0.136 1.193 420.149 400.000 13.808 44 - 580000 116000.00 44.453 17.680 62.133 6.16 0.071 0.750 0.182 0.618 403.303 400.000 8.347 44 - 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700000 140000.00 50.824 24.117 74.940 9.99 0.071 0.750 0.170 1.401 461.098 400.000 12.757 44 - 710000 142000.00 43.579 21.321 64.899 7.77 0.071 0.750 0.193 0.439 395.367 380.000 9.774 44 - 720000 144000.00 44.985 5.815 50.800 7.65 0.000 1.000 0.295 0.246 408.129 380.000 9.799 44 - 730000 146000.00 41.928 16.786 58.714 8.09 0.071 0.800 0.327 0.824 380.394 380.000 9.431 44 - 740000 148000.00 36.985 13.489 50.474 6.32 0.000 1.000 0.236 1.448 335.545 380.000 8.714 44 - 750000 150000.00 44.510 2.700 47.210 6.61 0.000 1.000 0.220 0.362 403.818 380.000 10.008 44 - 760000 152000.00 42.520 3.392 45.911 4.83 0.071 0.750 0.318 1.040 385.761 380.000 8.558 44 - 770000 154000.00 37.159 6.508 43.668 5.92 0.071 0.667 0.197 0.512 337.129 380.000 8.610 44 - 780000 156000.00 42.716 -5.522 37.193 5.74 0.214 0.500 0.265 0.989 387.537 380.000 6.883 44 - 790000 158000.00 41.532 9.870 51.402 7.96 0.214 0.625 0.239 0.439 376.795 380.000 8.308 44 - 800000 160000.00 38.780 2.245 41.025 5.34 0.071 0.857 0.383 0.870 351.837 380.000 7.698 44 - 810000 162000.00 44.820 16.330 61.149 11.87 0.000 1.000 0.136 0.797 406.629 380.000 15.727 44 - 820000 164000.00 32.915 9.312 42.227 6.62 0.000 1.000 0.159 0.470 298.618 380.000 9.216 44 - 830000 166000.00 43.546 6.496 50.042 4.71 0.071 0.000 0.136 0.479 395.075 380.000 8.877 44 - 840000 168000.00 38.370 16.508 54.878 9.54 0.000 NaN NaN 0.193 348.111 380.000 12.749 44 - 850000 170000.00 35.358 0.149 35.507 5.03 0.214 0.500 0.182 0.702 320.787 380.000 8.509 44 - 860000 172000.00 36.017 5.831 41.848 4.84 0.071 0.500 0.136 1.042 326.764 380.000 9.540 44 - 870000 174000.00 39.332 17.055 56.388 5.55 0.071 0.750 0.489 0.737 356.844 380.000 8.783 44 - 880000 176000.00 44.571 15.911 60.483 7.77 0.071 0.800 0.164 0.546 404.375 380.000 10.384 44 - 890000 178000.00 26.918 1.872 28.790 9.48 0.000 NaN NaN 0.339 244.211 380.000 12.044 44 - 900000 180000.00 50.758 9.737 60.495 7.31 0.071 0.857 0.266 0.347 460.502 380.000 8.011 44 - 910000 182000.00 42.425 19.254 61.679 7.64 0.214 0.250 0.182 0.617 384.899 380.000 11.092 44 - 920000 184000.00 34.173 11.488 45.661 6.47 0.143 0.333 0.167 0.580 310.038 380.000 9.473 44 - 930000 186000.00 38.845 15.516 54.361 6.53 0.071 0.750 0.205 0.290 352.423 380.000 8.737 44 - 940000 188000.00 42.090 17.910 60.000 5.36 0.071 0.750 0.205 0.518 381.860 380.000 9.396 44 - 950000 190000.00 37.715 16.606 54.321 6.35 0.000 1.000 0.136 0.332 342.173 380.000 11.295 44 - 960000 192000.00 40.347 9.088 49.435 6.93 0.000 1.000 0.152 0.747 366.050 380.000 10.326 44 - 970000 194000.00 44.434 1.220 45.654 5.78 0.214 0.727 0.281 0.915 403.128 380.000 7.781 44 - 980000 196000.00 36.460 3.293 39.753 5.28 0.000 1.000 0.318 0.786 330.784 380.000 9.093 44 - 990000 198000.00 48.041 9.979 58.019 8.09 0.000 1.000 0.227 0.541 435.849 380.000 9.326 44 - 1000000 200000.00 45.306 9.042 54.348 4.88 0.143 0.600 0.345 0.345 411.036 380.000 7.440 44