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_GB026.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB026.stat;h=0000000000000000000000000000000000000000;hp=a9ac7646d6d9bfb1b70a99d8c779768f54b0e9ae;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat deleted file mode 100644 index a9ac764..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 33.146 112.708 145.854 12.87 0.000 NaN NaN 4.850 300.719 380.000 15.552 26 - 10000 2000.00 39.051 17.997 57.047 11.16 0.000 NaN NaN 0.928 354.288 380.000 14.308 26 - 20000 4000.00 38.900 18.078 56.979 4.93 0.000 1.000 0.205 0.500 352.923 380.000 8.604 26 - 30000 6000.00 29.055 19.657 48.712 6.86 0.214 0.250 0.148 0.558 263.603 380.000 10.608 26 - 40000 8000.00 42.114 6.295 48.410 7.56 0.000 NaN NaN 0.342 382.084 380.000 10.398 26 - 50000 10000.00 37.642 -0.218 37.424 7.74 0.143 0.600 0.200 0.583 341.504 380.000 8.706 26 - 60000 12000.00 32.097 -1.686 30.411 4.48 0.143 0.714 0.552 0.369 291.198 380.000 7.436 26 - 70000 14000.00 42.279 3.000 45.279 5.35 0.214 0.571 0.364 0.427 383.573 380.000 6.908 26 - 80000 16000.00 45.983 7.577 53.560 4.07 0.000 1.000 0.396 0.827 417.182 380.000 7.878 26 - 90000 18000.00 33.144 1.098 34.243 6.86 0.071 0.833 0.250 0.202 300.702 380.000 7.516 26 - 100000 20000.00 39.036 2.081 41.117 5.20 0.000 1.000 0.327 0.741 354.155 380.000 8.316 26 - 110000 22000.00 33.250 3.539 36.790 5.49 0.143 0.667 0.424 0.395 301.663 360.000 8.609 26 - 120000 24000.00 32.696 11.269 43.965 7.64 0.143 0.500 0.159 0.425 296.639 360.000 9.375 26 - 130000 26000.00 37.756 8.047 45.802 8.50 0.071 0.800 0.209 0.935 342.538 360.000 11.549 26 - 140000 28000.00 46.707 8.660 55.367 5.10 0.143 0.714 0.175 0.606 423.747 360.000 9.230 26 - 150000 30000.00 45.440 3.148 48.588 8.29 0.286 0.600 0.195 0.318 412.253 360.000 10.451 26 - 160000 32000.00 38.153 5.473 43.627 6.08 0.000 1.000 0.455 0.322 346.147 360.000 8.366 26 - 170000 34000.00 46.081 5.073 51.154 6.10 0.143 0.667 0.356 0.343 418.072 360.000 8.304 26 - 180000 36000.00 37.219 8.262 45.482 7.17 0.000 1.000 0.197 0.537 337.672 360.000 10.413 26 - 190000 38000.00 28.824 15.429 44.253 4.79 0.143 0.667 0.273 0.307 261.510 360.000 8.989 26 - 200000 40000.00 35.969 -3.505 32.464 3.95 0.071 0.857 0.240 0.168 326.333 360.000 7.682 26 - 210000 42000.00 38.102 3.501 41.603 4.58 0.214 0.500 0.386 0.479 345.683 340.000 7.729 26 - 220000 44000.00 33.492 18.979 52.471 5.25 0.000 1.000 0.197 0.423 303.861 340.000 8.118 26 - 230000 46000.00 26.458 4.858 31.316 6.62 0.000 1.000 0.199 0.828 240.040 340.000 8.444 26 - 240000 48000.00 38.548 -13.470 25.079 3.28 0.214 0.750 0.311 0.602 349.730 340.000 6.785 26 - 250000 50000.00 35.386 4.437 39.823 7.04 0.000 1.000 0.205 0.652 321.042 340.000 9.749 26 - 260000 52000.00 34.170 -13.004 21.165 4.21 0.357 0.444 0.207 0.484 310.007 340.000 7.699 26 - 270000 54000.00 32.020 -1.397 30.623 6.86 0.000 1.000 0.325 0.384 290.500 340.000 7.656 26 - 280000 56000.00 28.635 0.623 29.258 6.95 0.071 0.000 0.136 0.870 259.795 340.000 10.814 26 - 290000 58000.00 37.622 -1.931 35.691 5.20 0.000 1.000 0.462 0.246 341.324 340.000 7.577 26 - 300000 60000.00 34.441 -7.247 27.194 4.72 0.000 1.000 0.368 0.709 312.465 340.000 7.425 26 - 310000 62000.00 29.293 1.446 30.740 4.54 0.071 0.000 0.182 0.532 265.765 340.000 8.091 26 - 320000 64000.00 31.721 -6.231 25.490 6.09 0.071 0.857 0.273 0.927 287.793 340.000 8.015 26 - 330000 66000.00 38.180 4.492 42.672 7.15 0.000 1.000 0.227 0.693 346.392 340.000 10.875 26 - 340000 68000.00 53.109 -5.325 47.784 3.81 0.214 0.625 0.256 0.553 481.830 340.000 7.170 26 - 350000 70000.00 31.131 -8.683 22.447 5.16 0.143 0.667 0.182 0.225 282.435 340.000 8.732 26 - 360000 72000.00 36.164 6.324 42.488 6.33 0.071 0.750 0.557 0.903 328.101 340.000 7.005 26 - 370000 74000.00 40.714 -0.480 40.234 5.30 0.143 0.714 0.468 0.667 369.379 340.000 6.930 26 - 380000 76000.00 41.724 8.940 50.664 6.10 0.000 1.000 0.136 0.744 378.539 340.000 9.957 26 - 390000 78000.00 36.054 9.327 45.381 6.57 0.000 NaN NaN 0.259 327.105 340.000 8.599 26 - 400000 80000.00 30.863 5.519 36.382 7.91 0.214 0.400 0.164 0.330 280.009 340.000 10.754 26 - 410000 82000.00 31.800 5.482 37.282 5.72 0.071 0.667 0.394 0.704 288.509 360.000 8.277 26 - 420000 84000.00 27.712 3.959 31.671 4.54 0.214 0.250 0.284 0.263 251.420 360.000 8.072 26 - 430000 86000.00 35.224 15.509 50.732 5.13 0.000 1.000 0.182 0.394 319.566 360.000 8.917 26 - 440000 88000.00 39.614 9.744 49.358 6.90 0.143 0.600 0.282 0.572 359.396 360.000 9.761 26 - 450000 90000.00 46.616 2.709 49.324 7.44 0.000 1.000 0.364 0.457 422.922 360.000 8.349 26 - 460000 92000.00 34.118 1.433 35.551 5.54 0.000 1.000 0.500 0.927 309.536 360.000 7.511 26 - 470000 94000.00 25.917 7.163 33.080 8.65 0.071 0.800 0.164 0.220 235.131 360.000 9.968 26 - 480000 96000.00 37.563 6.826 44.389 6.35 0.071 0.667 0.348 0.778 340.793 360.000 8.319 26 - 490000 98000.00 37.126 10.411 47.537 8.01 0.000 1.000 0.193 0.639 336.830 360.000 10.540 26 - 500000 100000.00 35.934 -3.408 32.526 4.25 0.143 0.714 0.390 0.457 326.007 360.000 7.226 26 - 510000 102000.00 42.752 2.874 45.626 5.90 0.000 1.000 0.466 0.310 387.871 350.000 7.485 26 - 520000 104000.00 36.717 2.252 38.969 5.27 0.000 1.000 0.327 0.474 333.117 350.000 8.793 26 - 530000 106000.00 32.598 11.648 44.246 7.64 0.071 0.667 0.182 0.634 295.747 350.000 10.538 26 - 540000 108000.00 44.107 7.974 52.081 8.21 0.071 0.833 0.182 0.231 400.160 350.000 10.294 26 - 550000 110000.00 43.802 8.148 51.950 5.11 0.071 0.667 0.318 0.696 397.393 350.000 8.193 26 - 560000 112000.00 32.925 -11.331 21.594 3.16 0.214 0.786 0.318 0.797 298.716 350.000 6.808 26 - 570000 114000.00 47.448 7.350 54.797 5.56 0.071 0.900 0.450 0.347 430.469 350.000 7.284 26 - 580000 116000.00 27.954 14.174 42.127 6.35 0.071 0.800 0.164 0.720 253.613 350.000 9.830 26 - 590000 118000.00 32.870 6.347 39.217 6.73 0.000 1.000 0.182 0.927 298.216 350.000 9.832 26 - 600000 120000.00 39.945 -9.353 30.592 6.39 0.214 0.625 0.341 0.670 362.402 350.000 8.029 26 - 610000 122000.00 35.378 5.999 41.376 9.13 0.071 0.667 0.152 0.582 320.963 350.000 11.265 26 - 620000 124000.00 31.911 -2.606 29.305 6.43 0.071 0.833 0.371 0.148 289.511 350.000 7.547 26 - 630000 126000.00 45.706 7.924 53.630 5.30 0.071 0.857 0.344 0.280 414.666 350.000 8.713 26 - 640000 128000.00 46.136 8.981 55.117 6.99 0.000 1.000 0.364 1.015 418.567 350.000 8.780 26 - 650000 130000.00 32.697 6.734 39.431 6.39 0.000 1.000 0.182 0.179 296.642 350.000 10.243 26 - 660000 132000.00 39.001 9.525 48.526 8.18 0.071 0.500 0.136 0.434 353.840 350.000 11.674 26 - 670000 134000.00 31.612 -5.464 26.148 5.33 0.000 1.000 0.555 0.511 286.798 350.000 8.249 26 - 680000 136000.00 31.253 2.838 34.091 6.92 0.143 0.333 0.182 0.857 283.544 350.000 8.807 26 - 690000 138000.00 38.923 3.811 42.734 8.32 0.143 0.500 0.159 0.940 353.130 350.000 10.403 26 - 700000 140000.00 38.020 0.598 38.617 6.32 0.000 1.000 0.288 0.871 344.933 350.000 8.607 26 - 710000 142000.00 35.324 -0.969 34.355 4.71 0.000 1.000 0.341 0.223 320.475 350.000 7.474 26 - 720000 144000.00 47.314 5.174 52.488 3.82 0.143 0.667 0.227 0.874 429.256 350.000 8.134 26 - 730000 146000.00 35.080 8.010 43.090 7.23 0.071 0.667 0.197 0.410 318.260 350.000 11.054 26 - 740000 148000.00 38.958 -2.028 36.929 9.06 0.143 0.714 0.253 0.488 353.445 350.000 10.702 26 - 750000 150000.00 33.077 2.514 35.591 4.61 0.000 1.000 0.327 0.850 300.091 350.000 8.868 26 - 760000 152000.00 38.383 -5.522 32.861 3.39 0.143 0.600 0.209 0.464 348.230 350.000 8.013 26 - 770000 154000.00 43.028 4.745 47.773 5.73 0.071 0.833 0.205 0.494 390.375 350.000 8.039 26 - 780000 156000.00 43.434 1.978 45.411 6.72 0.071 0.667 0.258 0.600 394.052 350.000 9.799 26 - 790000 158000.00 34.532 17.695 52.227 9.09 0.071 0.000 0.136 0.380 313.296 350.000 12.455 26 - 800000 160000.00 40.224 14.329 54.553 4.68 0.286 0.636 0.285 1.887 364.932 350.000 7.723 26 - 810000 162000.00 39.137 6.034 45.171 5.84 0.214 0.667 0.318 0.742 355.075 400.000 8.153 26 - 820000 164000.00 40.436 17.322 57.758 10.62 0.000 NaN NaN 0.396 366.853 400.000 13.088 26 - 830000 166000.00 35.749 19.172 54.920 6.05 0.071 0.667 0.167 0.398 324.331 400.000 8.678 26 - 840000 168000.00 39.101 18.203 57.304 9.38 0.000 1.000 0.167 0.546 354.746 400.000 12.756 26 - 850000 170000.00 34.562 11.307 45.869 5.96 0.071 0.667 0.333 0.469 313.563 400.000 8.913 26 - 860000 172000.00 44.695 7.289 51.985 7.31 0.071 0.667 0.227 0.570 405.501 400.000 9.422 26 - 870000 174000.00 40.455 15.343 55.798 5.46 0.143 0.800 0.450 0.628 367.028 400.000 7.612 26 - 880000 176000.00 36.216 4.772 40.988 7.44 0.000 1.000 0.250 0.348 328.566 400.000 7.674 26 - 890000 178000.00 44.820 11.188 56.008 6.11 0.214 0.571 0.318 0.441 406.631 400.000 9.003 26 - 900000 180000.00 44.718 28.097 72.816 9.35 0.000 NaN NaN 0.431 405.708 400.000 13.178 26 - 910000 182000.00 38.945 11.454 50.399 9.13 0.214 0.400 0.173 0.659 353.325 390.000 12.268 26 - 920000 184000.00 42.073 5.143 47.216 5.03 0.071 0.833 0.417 1.893 381.708 390.000 7.936 26 - 930000 186000.00 32.966 10.804 43.770 5.94 0.071 0.750 0.239 1.093 299.087 390.000 9.300 26 - 940000 188000.00 36.242 24.008 60.251 6.93 0.000 NaN NaN 0.934 328.810 390.000 10.580 26 - 950000 190000.00 34.679 3.276 37.955 5.87 0.000 1.000 0.258 0.610 314.630 390.000 10.133 26 - 960000 192000.00 35.179 5.188 40.368 6.61 0.143 0.667 0.379 1.028 319.164 390.000 7.917 26 - 970000 194000.00 30.498 13.515 44.013 6.80 0.143 0.500 0.307 0.152 276.696 390.000 9.865 26 - 980000 196000.00 47.333 14.922 62.255 4.41 0.214 0.571 0.273 1.110 429.430 390.000 7.988 26 - 990000 198000.00 32.061 21.123 53.184 9.66 0.000 NaN NaN 0.517 290.873 390.000 13.271 26 - 1000000 200000.00 34.930 0.499 35.429 3.52 0.071 0.833 0.561 0.423 316.903 390.000 7.504 26