X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB043.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB043.stat;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=231fcfbf8534b502c88bedee59a5a7b39ff24f79;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat deleted file mode 100644 index 231fcfb..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 39.570 113.442 153.011 12.87 0.000 NaN NaN 4.850 358.996 350.000 15.552 43 - 10000 2000.00 22.284 5.448 27.732 6.01 0.143 0.800 0.373 0.478 202.171 350.000 6.907 43 - 20000 4000.00 38.776 9.024 47.801 7.67 0.214 0.500 0.189 1.073 351.798 350.000 8.543 43 - 30000 6000.00 37.481 -1.748 35.733 3.89 0.000 1.000 0.311 0.809 340.051 350.000 8.317 43 - 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370000 74000.00 36.402 7.305 43.706 6.95 0.000 1.000 0.227 0.281 330.256 360.000 8.552 43 - 380000 76000.00 33.579 10.281 43.860 9.46 0.143 0.500 0.170 0.201 304.649 360.000 11.332 43 - 390000 78000.00 41.028 2.881 43.908 4.90 0.214 0.727 0.442 0.596 372.225 360.000 8.609 43 - 400000 80000.00 37.233 12.823 50.057 5.33 0.000 1.000 0.273 0.401 337.801 360.000 9.664 43 - 410000 82000.00 42.265 11.769 54.034 6.40 0.071 0.500 0.136 0.594 383.453 380.000 11.063 43 - 420000 84000.00 34.973 2.853 37.826 8.94 0.000 NaN NaN 0.223 317.289 380.000 11.920 43 - 430000 86000.00 36.376 23.398 59.775 9.66 0.071 0.000 0.136 0.581 330.025 380.000 13.474 43 - 440000 88000.00 41.654 9.167 50.821 5.77 0.071 0.667 0.212 0.210 377.908 380.000 9.151 43 - 450000 90000.00 43.084 2.902 45.986 4.07 0.071 0.857 0.201 0.897 390.883 380.000 8.077 43 - 460000 92000.00 35.694 4.336 40.030 5.60 0.071 0.800 0.300 0.570 323.838 380.000 8.391 43 - 470000 94000.00 58.383 4.575 62.958 5.87 0.071 0.875 0.403 0.655 529.680 380.000 7.451 43 - 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700000 140000.00 45.810 12.629 58.439 6.55 0.071 0.667 0.242 0.718 415.609 400.000 9.341 43 - 710000 142000.00 43.159 11.258 54.417 7.86 0.000 1.000 0.227 0.651 391.561 400.000 11.084 43 - 720000 144000.00 38.575 3.015 41.589 5.49 0.000 1.000 0.227 0.329 349.968 400.000 9.034 43 - 730000 146000.00 47.725 12.607 60.332 6.63 0.071 0.750 0.261 1.061 432.987 400.000 9.900 43 - 740000 148000.00 48.563 5.868 54.431 7.82 0.071 0.000 0.136 0.289 440.590 400.000 10.374 43 - 750000 150000.00 39.799 3.030 42.829 4.82 0.071 0.833 0.417 1.116 361.079 400.000 7.388 43 - 760000 152000.00 37.363 7.105 44.468 5.58 0.000 1.000 0.386 0.610 338.973 400.000 8.290 43 - 770000 154000.00 47.624 18.332 65.956 8.76 0.071 0.000 0.136 0.825 432.071 400.000 12.461 43 - 780000 156000.00 42.531 12.400 54.931 12.75 0.000 1.000 0.212 0.654 385.866 400.000 15.374 43 - 790000 158000.00 50.832 19.094 69.926 6.78 0.000 1.000 0.409 1.008 461.170 400.000 10.430 43 - 800000 160000.00 45.397 21.172 66.569 6.30 0.000 1.000 0.318 0.843 411.863 400.000 8.863 43 - 810000 162000.00 45.142 14.279 59.421 5.51 0.071 0.750 0.193 0.392 409.551 400.000 9.421 43 - 820000 164000.00 42.737 15.077 57.813 8.28 0.071 0.500 0.205 0.318 387.731 400.000 11.154 43 - 830000 166000.00 45.121 12.351 57.472 9.37 0.143 0.333 0.152 0.433 409.365 400.000 12.309 43 - 840000 168000.00 34.079 11.045 45.124 5.71 0.071 0.750 0.170 0.574 309.184 400.000 9.642 43 - 850000 170000.00 37.368 8.443 45.811 9.29 0.071 0.500 0.136 0.491 339.026 400.000 12.800 43 - 860000 172000.00 40.226 14.607 54.833 3.17 0.214 0.571 0.435 0.265 364.954 400.000 7.505 43 - 870000 174000.00 43.574 22.440 66.013 5.94 0.071 0.750 0.227 0.664 395.324 400.000 9.608 43 - 880000 176000.00 43.792 5.586 49.378 8.19 0.071 0.750 0.239 0.758 397.305 400.000 9.892 43 - 890000 178000.00 40.307 16.822 57.129 5.42 0.143 0.714 0.292 1.162 365.682 400.000 8.007 43 - 900000 180000.00 41.771 -6.233 35.538 6.50 0.071 0.875 0.312 0.849 378.970 400.000 7.533 43 - 910000 182000.00 36.785 1.538 38.323 5.05 0.071 0.875 0.386 0.290 333.734 380.000 7.135 43 - 920000 184000.00 35.810 11.326 47.137 5.98 0.000 1.000 0.439 0.457 324.891 380.000 7.910 43 - 930000 186000.00 31.325 17.414 48.739 8.91 0.071 0.500 0.182 1.099 284.200 380.000 11.576 43 - 940000 188000.00 47.842 18.546 66.388 6.13 0.071 0.833 0.250 1.396 434.048 380.000 8.328 43 - 950000 190000.00 49.847 8.968 58.814 5.82 0.071 0.889 0.333 0.902 452.236 380.000 7.605 43 - 960000 192000.00 39.337 15.903 55.239 7.48 0.143 0.600 0.145 1.003 356.882 380.000 11.400 43 - 970000 194000.00 25.756 6.826 32.582 5.55 0.071 0.750 0.216 1.208 233.672 380.000 8.615 43 - 980000 196000.00 45.471 11.423 56.894 9.75 0.000 1.000 0.227 1.297 412.533 380.000 12.702 43 - 990000 198000.00 54.254 -1.603 52.652 5.52 0.143 0.778 0.394 1.029 492.222 380.000 7.548 43 - 1000000 200000.00 32.059 10.031 42.090 5.01 0.143 0.714 0.383 0.649 290.855 380.000 7.796 43