X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB028.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB028.stat;h=0000000000000000000000000000000000000000;hp=0efc16d07bf0338460c11afebc25cf7014ce6c9c;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat deleted file mode 100644 index 0efc16d..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 42.077 112.507 154.584 12.87 0.000 NaN NaN 4.850 381.743 390.000 15.552 28 - 10000 2000.00 40.196 9.220 49.416 5.86 0.214 0.500 0.174 0.990 364.679 390.000 9.295 28 - 20000 4000.00 35.016 12.315 47.331 5.69 0.000 1.000 0.182 0.651 317.686 390.000 9.469 28 - 30000 6000.00 39.865 6.960 46.825 5.90 0.071 0.667 0.182 1.044 361.671 390.000 9.082 28 - 40000 8000.00 32.924 11.572 44.497 8.98 0.000 1.000 0.250 0.359 298.705 390.000 11.338 28 - 50000 10000.00 37.904 19.424 57.328 6.08 0.071 0.667 0.273 0.328 343.883 390.000 8.638 28 - 60000 12000.00 42.188 12.227 54.414 7.54 0.143 0.600 0.209 0.298 382.749 390.000 10.951 28 - 70000 14000.00 40.783 2.689 43.472 4.85 0.000 1.000 0.233 0.592 370.000 390.000 8.359 28 - 80000 16000.00 41.717 2.921 44.639 8.33 0.000 1.000 0.273 0.474 378.481 390.000 10.057 28 - 90000 18000.00 46.879 16.750 63.630 5.42 0.071 0.857 0.351 1.251 425.314 390.000 8.283 28 - 100000 20000.00 33.336 14.234 47.570 5.86 0.000 NaN NaN 0.389 302.441 390.000 9.656 28 - 110000 22000.00 29.758 8.683 38.441 5.28 0.214 0.625 0.284 0.771 269.983 370.000 7.996 28 - 120000 24000.00 31.469 20.532 52.000 8.10 0.000 1.000 0.205 0.484 285.501 370.000 9.829 28 - 130000 26000.00 29.754 13.422 43.176 5.21 0.071 0.875 0.199 0.427 269.944 370.000 8.308 28 - 140000 28000.00 35.092 15.953 51.046 5.60 0.000 1.000 0.545 0.518 318.375 370.000 7.785 28 - 150000 30000.00 38.305 0.731 39.036 6.03 0.143 0.778 0.313 0.435 347.522 370.000 7.421 28 - 160000 32000.00 40.223 7.583 47.807 5.52 0.071 0.857 0.357 0.462 364.926 370.000 7.488 28 - 170000 34000.00 37.383 9.573 46.956 8.71 0.000 1.000 0.227 0.392 339.157 370.000 11.938 28 - 180000 36000.00 43.624 13.432 57.056 6.37 0.071 0.000 0.136 0.343 395.778 370.000 10.260 28 - 190000 38000.00 51.676 4.773 56.449 6.39 0.071 0.000 0.182 1.003 468.833 370.000 9.581 28 - 200000 40000.00 35.741 -1.777 33.964 4.11 0.286 0.500 0.307 0.737 324.264 370.000 6.957 28 - 210000 42000.00 44.860 0.937 45.797 5.75 0.071 0.857 0.208 0.594 406.994 350.000 8.388 28 - 220000 44000.00 36.141 1.747 37.889 5.09 0.000 1.000 0.318 0.874 327.891 350.000 7.502 28 - 230000 46000.00 39.962 4.124 44.086 5.44 0.071 0.833 0.258 0.510 362.554 350.000 8.370 28 - 240000 48000.00 34.161 6.091 40.252 6.24 0.214 0.500 0.182 0.511 309.926 350.000 8.435 28 - 250000 50000.00 28.702 6.821 35.524 5.09 0.143 0.750 0.267 1.031 260.404 350.000 8.150 28 - 260000 52000.00 35.794 11.093 46.887 5.72 0.071 0.833 0.356 0.494 324.740 350.000 8.286 28 - 270000 54000.00 47.530 -5.445 42.086 4.83 0.143 0.800 0.400 0.444 431.219 350.000 7.888 28 - 280000 56000.00 39.990 -2.337 37.652 6.90 0.143 0.750 0.324 0.513 362.806 350.000 6.952 28 - 290000 58000.00 30.930 5.858 36.788 4.75 0.143 0.667 0.295 0.622 280.615 350.000 8.649 28 - 300000 60000.00 33.098 11.488 44.585 4.51 0.000 1.000 0.491 0.433 300.280 350.000 8.224 28 - 310000 62000.00 41.504 1.387 42.891 5.35 0.143 0.600 0.482 1.062 376.546 370.000 8.073 28 - 320000 64000.00 38.388 -0.439 37.948 6.63 0.071 0.800 0.164 0.609 348.274 370.000 10.409 28 - 330000 66000.00 36.206 7.475 43.680 9.06 0.000 1.000 0.227 0.186 328.478 370.000 11.662 28 - 340000 68000.00 30.595 9.767 40.362 8.09 0.143 0.333 0.136 0.802 277.576 370.000 11.713 28 - 350000 70000.00 38.300 11.396 49.696 5.99 0.000 1.000 0.227 0.261 347.482 370.000 8.403 28 - 360000 72000.00 36.521 20.191 56.711 7.77 0.000 NaN NaN 0.736 331.334 370.000 10.656 28 - 370000 74000.00 33.576 -1.271 32.306 6.63 0.143 0.600 0.300 0.763 304.621 370.000 7.798 28 - 380000 76000.00 39.376 17.321 56.697 8.49 0.000 1.000 0.182 0.510 357.243 370.000 10.715 28 - 390000 78000.00 49.002 15.633 64.635 6.60 0.000 1.000 0.398 0.806 444.573 370.000 7.519 28 - 400000 80000.00 29.543 11.571 41.114 5.83 0.071 0.889 0.288 0.877 268.031 370.000 7.853 28 - 410000 82000.00 30.218 -5.464 24.754 4.97 0.071 0.875 0.557 1.003 274.156 360.000 7.097 28 - 420000 84000.00 23.820 6.038 29.858 6.71 0.000 1.000 0.227 0.650 216.109 360.000 8.386 28 - 430000 86000.00 33.984 -1.841 32.143 4.95 0.071 0.917 0.299 0.641 308.318 360.000 7.096 28 - 440000 88000.00 35.996 12.758 48.754 8.02 0.214 0.571 0.195 0.805 326.573 360.000 10.557 28 - 450000 90000.00 36.352 4.448 40.800 5.53 0.071 0.857 0.253 0.711 329.801 360.000 8.585 28 - 460000 92000.00 37.731 11.707 49.439 8.04 0.071 0.500 0.182 0.336 342.318 360.000 9.378 28 - 470000 94000.00 37.103 3.685 40.788 4.79 0.071 0.750 0.159 0.500 336.622 360.000 8.991 28 - 480000 96000.00 30.922 6.585 37.507 5.73 0.000 1.000 0.279 0.339 280.545 360.000 8.153 28 - 490000 98000.00 35.164 2.362 37.526 7.45 0.143 0.778 0.323 0.630 319.023 360.000 8.542 28 - 500000 100000.00 32.312 5.365 37.677 4.49 0.143 0.714 0.519 0.646 293.150 360.000 8.329 28 - 510000 102000.00 50.391 7.101 57.492 4.46 0.071 0.857 0.377 0.331 457.177 400.000 7.859 28 - 520000 104000.00 48.058 25.697 73.755 4.75 0.000 1.000 0.330 0.676 436.004 400.000 8.142 28 - 530000 106000.00 40.809 17.641 58.450 4.95 0.000 NaN NaN 0.794 370.242 400.000 9.577 28 - 540000 108000.00 39.799 14.472 54.271 8.01 0.143 0.333 0.212 0.356 361.081 400.000 12.203 28 - 550000 110000.00 47.749 9.909 57.658 6.80 0.071 0.857 0.325 0.776 433.204 400.000 7.067 28 - 560000 112000.00 43.158 8.783 51.941 5.03 0.071 0.800 0.527 1.174 391.554 400.000 8.814 28 - 570000 114000.00 40.442 14.354 54.796 6.66 0.000 1.000 0.636 0.456 366.914 400.000 8.190 28 - 580000 116000.00 43.346 12.064 55.410 5.84 0.071 0.750 0.352 0.374 393.261 400.000 8.808 28 - 590000 118000.00 36.637 24.738 61.375 6.56 0.000 1.000 0.364 0.810 332.390 400.000 7.483 28 - 600000 120000.00 36.001 4.064 40.064 5.45 0.071 0.800 0.636 0.512 326.617 400.000 8.145 28 - 610000 122000.00 36.623 12.700 49.324 8.35 0.000 1.000 0.136 0.573 332.266 390.000 11.528 28 - 620000 124000.00 34.244 8.102 42.346 5.32 0.143 0.714 0.312 0.402 310.681 390.000 7.758 28 - 630000 126000.00 34.442 5.008 39.450 6.71 0.071 0.500 0.182 0.659 312.473 390.000 10.445 28 - 640000 128000.00 35.274 1.174 36.447 5.14 0.000 1.000 0.136 0.220 320.020 390.000 8.767 28 - 650000 130000.00 40.392 10.184 50.576 5.48 0.071 0.667 0.197 1.025 366.457 390.000 8.854 28 - 660000 132000.00 45.005 17.761 62.766 3.33 0.214 0.400 0.173 0.512 408.312 390.000 8.459 28 - 670000 134000.00 26.463 18.623 45.086 4.88 0.000 1.000 0.136 0.922 240.088 390.000 9.114 28 - 680000 136000.00 46.773 10.177 56.950 3.86 0.000 1.000 0.264 0.228 424.348 390.000 7.970 28 - 690000 138000.00 35.128 8.412 43.540 7.40 0.071 0.500 0.182 0.665 318.697 390.000 11.286 28 - 700000 140000.00 45.588 0.955 46.543 4.81 0.286 0.636 0.405 0.538 413.597 390.000 7.401 28 - 710000 142000.00 42.728 12.029 54.758 6.65 0.071 0.000 0.136 0.471 387.651 380.000 10.745 28 - 720000 144000.00 37.815 8.535 46.350 8.80 0.071 0.750 0.193 0.346 343.081 380.000 10.619 28 - 730000 146000.00 38.483 8.375 46.858 7.40 0.000 1.000 0.336 0.935 349.139 380.000 7.670 28 - 740000 148000.00 31.251 3.416 34.666 8.83 0.071 0.000 0.136 0.311 283.521 380.000 10.804 28 - 750000 150000.00 33.800 11.686 45.486 8.95 0.143 0.333 0.152 0.984 306.648 380.000 12.209 28 - 760000 152000.00 44.519 8.072 52.591 4.87 0.071 0.800 0.200 0.970 403.898 380.000 8.754 28 - 770000 154000.00 35.597 15.796 51.393 6.15 0.071 0.750 0.170 0.280 322.958 380.000 10.156 28 - 780000 156000.00 43.846 13.282 57.127 6.88 0.071 0.800 0.309 0.537 397.790 380.000 8.972 28 - 790000 158000.00 39.214 6.222 45.436 8.21 0.071 0.500 0.136 0.421 355.765 380.000 10.613 28 - 800000 160000.00 49.431 5.723 55.155 8.29 0.071 0.667 0.197 0.577 448.468 380.000 11.526 28 - 810000 162000.00 44.199 15.573 59.772 12.82 0.000 NaN NaN 1.077 400.993 380.000 16.235 28 - 820000 164000.00 44.042 21.315 65.357 8.30 0.071 0.000 0.136 0.599 399.572 380.000 12.236 28 - 830000 166000.00 39.680 16.026 55.707 8.28 0.071 0.000 0.136 0.671 360.001 380.000 11.311 28 - 840000 168000.00 36.824 -2.070 34.754 6.71 0.071 0.833 0.205 1.162 334.085 380.000 7.931 28 - 850000 170000.00 41.335 9.756 51.091 7.99 0.071 0.800 0.200 1.168 375.015 380.000 10.688 28 - 860000 172000.00 38.281 11.014 49.295 7.08 0.071 0.500 0.159 0.269 347.306 380.000 10.022 28 - 870000 174000.00 33.789 0.884 34.673 7.35 0.071 0.667 0.182 0.544 306.552 380.000 9.742 28 - 880000 176000.00 38.384 8.149 46.533 5.70 0.071 0.750 0.239 0.474 348.240 380.000 7.627 28 - 890000 178000.00 43.923 2.702 46.625 6.67 0.000 1.000 0.364 0.353 398.494 380.000 7.866 28 - 900000 180000.00 31.521 6.027 37.548 6.44 0.071 0.800 0.191 0.403 285.972 380.000 10.051 28 - 910000 182000.00 43.786 9.367 53.152 5.07 0.143 0.667 0.205 2.140 397.246 380.000 7.702 28 - 920000 184000.00 40.989 7.740 48.729 4.75 0.071 0.800 0.182 0.718 371.870 380.000 7.698 28 - 930000 186000.00 45.789 0.336 46.125 9.38 0.071 0.000 0.136 0.469 415.424 380.000 12.904 28 - 940000 188000.00 33.788 12.946 46.735 8.27 0.071 0.500 0.136 0.658 306.544 380.000 11.036 28 - 950000 190000.00 41.029 11.144 52.173 4.96 0.071 0.500 0.205 0.909 372.237 380.000 7.477 28 - 960000 192000.00 40.285 18.547 58.832 8.81 0.143 0.333 0.197 1.015 365.488 380.000 11.691 28 - 970000 194000.00 49.501 14.484 63.984 5.67 0.143 0.714 0.266 0.458 449.095 380.000 8.001 28 - 980000 196000.00 32.955 7.251 40.206 7.58 0.071 0.800 0.218 0.732 298.986 380.000 7.905 28 - 990000 198000.00 44.305 4.077 48.382 7.37 0.071 0.667 0.136 0.582 401.962 380.000 10.552 28 - 1000000 200000.00 30.048 16.450 46.498 5.32 0.143 0.333 0.152 0.736 272.614 380.000 9.465 28