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_GB027.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB027.stat;h=0000000000000000000000000000000000000000;hp=95be9fd0cbf97420900188757d8fed8351b246e3;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat deleted file mode 100644 index 95be9fd..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB027.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 41.284 112.708 153.991 12.87 0.000 NaN NaN 4.850 374.547 380.000 15.552 27 - 10000 2000.00 39.201 -0.757 38.443 5.04 0.000 1.000 0.336 0.388 355.650 380.000 7.290 27 - 20000 4000.00 44.440 1.236 45.675 5.60 0.000 1.000 0.227 1.212 403.179 380.000 7.921 27 - 30000 6000.00 39.167 21.297 60.465 6.90 0.071 0.667 0.167 0.407 355.347 380.000 9.324 27 - 40000 8000.00 34.990 5.583 40.573 4.58 0.071 0.833 0.553 0.454 317.450 380.000 7.756 27 - 50000 10000.00 34.188 15.703 49.892 6.73 0.000 NaN NaN 0.554 310.175 380.000 10.947 27 - 60000 12000.00 46.234 23.061 69.295 8.13 0.143 0.333 0.167 0.374 419.458 380.000 10.867 27 - 70000 14000.00 37.163 2.686 39.849 6.77 0.000 1.000 0.273 0.478 337.162 380.000 11.013 27 - 80000 16000.00 31.305 9.122 40.427 7.78 0.071 0.667 0.167 0.691 284.020 380.000 11.254 27 - 90000 18000.00 33.631 17.437 51.068 8.48 0.071 0.000 0.182 0.354 305.120 380.000 12.491 27 - 100000 20000.00 36.365 15.932 52.297 8.15 0.000 1.000 0.295 0.670 329.918 380.000 10.399 27 - 110000 22000.00 39.981 2.959 42.940 8.16 0.071 0.500 0.159 0.173 362.729 380.000 9.948 27 - 120000 24000.00 39.673 10.277 49.950 4.11 0.143 0.600 0.227 0.319 359.936 380.000 7.514 27 - 130000 26000.00 42.557 13.916 56.473 6.69 0.000 1.000 0.182 0.454 386.097 380.000 9.155 27 - 140000 28000.00 36.579 6.555 43.135 6.68 0.000 1.000 0.432 0.745 331.867 380.000 8.208 27 - 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370000 74000.00 29.341 16.636 45.978 9.35 0.000 1.000 0.227 0.635 266.200 370.000 11.473 27 - 380000 76000.00 39.922 -0.483 39.439 5.72 0.071 0.750 0.193 0.780 362.190 370.000 8.645 27 - 390000 78000.00 37.990 -1.205 36.784 4.84 0.071 0.800 0.164 1.092 344.662 370.000 9.076 27 - 400000 80000.00 44.509 11.251 55.760 6.84 0.143 0.500 0.159 1.082 403.805 370.000 9.446 27 - 410000 82000.00 40.175 12.115 52.290 7.81 0.000 1.000 0.197 0.397 364.489 400.000 11.219 27 - 420000 84000.00 39.088 13.292 52.380 10.20 0.071 0.750 0.170 0.391 354.624 400.000 12.627 27 - 430000 86000.00 53.357 -0.945 52.411 5.30 0.071 0.800 0.345 0.693 484.080 400.000 7.881 27 - 440000 88000.00 42.451 17.939 60.390 6.57 0.071 0.000 0.136 0.811 385.135 400.000 11.634 27 - 450000 90000.00 40.350 5.792 46.143 6.98 0.071 0.667 0.182 1.034 366.080 400.000 10.684 27 - 460000 92000.00 37.493 6.025 43.518 4.78 0.071 0.833 0.424 0.958 340.155 400.000 8.183 27 - 470000 94000.00 46.160 6.768 52.928 3.94 0.071 0.800 0.209 0.763 418.791 400.000 8.289 27 - 480000 96000.00 41.503 17.927 59.430 8.70 0.000 1.000 0.273 0.500 376.536 400.000 12.968 27 - 490000 98000.00 37.525 12.225 49.750 6.75 0.000 1.000 0.318 0.847 340.450 400.000 8.699 27 - 500000 100000.00 42.998 14.375 57.373 7.53 0.000 1.000 0.136 0.552 390.097 400.000 10.973 27 - 510000 102000.00 49.278 15.710 64.988 9.79 0.000 1.000 0.136 0.906 447.080 380.000 13.198 27 - 520000 104000.00 49.907 9.621 59.528 5.39 0.071 0.833 0.265 1.505 452.781 380.000 9.177 27 - 530000 106000.00 28.121 9.821 37.942 5.20 0.143 0.778 0.338 0.575 255.128 380.000 7.153 27 - 540000 108000.00 34.971 9.678 44.649 5.95 0.143 0.714 0.305 0.697 317.274 380.000 7.535 27 - 550000 110000.00 44.294 8.598 52.891 5.29 0.143 0.333 0.303 0.660 401.857 380.000 9.294 27 - 560000 112000.00 41.707 10.179 51.886 3.62 0.071 0.750 0.330 0.347 378.385 380.000 8.425 27 - 570000 114000.00 32.230 5.831 38.062 6.45 0.143 0.714 0.227 0.393 292.410 380.000 7.605 27 - 580000 116000.00 35.940 12.884 48.824 10.53 0.071 0.000 0.136 0.541 326.066 380.000 12.876 27 - 590000 118000.00 43.192 14.706 57.898 4.96 0.143 0.667 0.265 0.894 391.860 380.000 9.403 27 - 600000 120000.00 43.782 5.393 49.175 6.24 0.071 0.667 0.212 1.006 397.211 380.000 8.645 27 - 610000 122000.00 36.581 4.678 41.258 7.45 0.071 0.800 0.227 0.624 331.881 370.000 10.338 27 - 620000 124000.00 32.814 2.334 35.148 5.05 0.071 0.667 0.212 0.465 297.706 370.000 8.591 27 - 630000 126000.00 33.490 3.678 37.168 5.55 0.143 0.667 0.288 0.932 303.838 370.000 8.796 27 - 640000 128000.00 40.155 7.891 48.046 6.16 0.000 1.000 0.227 0.440 364.310 370.000 7.873 27 - 650000 130000.00 34.119 6.418 40.536 7.30 0.143 0.500 0.159 0.483 309.543 370.000 8.490 27 - 660000 132000.00 39.011 10.572 49.583 5.17 0.000 1.000 0.318 0.567 353.930 370.000 8.770 27 - 670000 134000.00 36.046 1.574 37.620 6.37 0.071 0.857 0.299 0.797 327.029 370.000 8.046 27 - 680000 136000.00 49.691 17.818 67.509 6.96 0.143 0.600 0.255 0.629 450.821 370.000 8.304 27 - 690000 138000.00 45.360 4.553 49.913 5.46 0.071 0.800 0.191 0.484 411.530 370.000 7.381 27 - 700000 140000.00 34.225 14.777 49.002 5.50 0.214 0.400 0.191 0.497 310.503 370.000 9.163 27 - 710000 142000.00 35.533 9.544 45.077 5.06 0.071 0.800 0.409 0.703 322.371 390.000 7.848 27 - 720000 144000.00 47.355 9.393 56.748 11.78 0.000 1.000 0.136 0.512 429.632 390.000 15.168 27 - 730000 146000.00 38.177 7.875 46.052 6.67 0.143 0.667 0.189 0.628 346.362 390.000 10.222 27 - 740000 148000.00 48.788 16.451 65.239 6.30 0.071 0.750 0.193 1.222 442.633 390.000 8.740 27 - 750000 150000.00 53.301 5.762 59.063 8.14 0.143 0.600 0.255 0.445 483.577 390.000 9.734 27 - 760000 152000.00 43.652 6.317 49.970 5.58 0.071 0.800 0.245 1.033 396.035 390.000 8.774 27 - 770000 154000.00 42.792 7.683 50.475 6.47 0.000 1.000 0.273 0.777 388.231 390.000 7.692 27 - 780000 156000.00 37.624 21.123 58.747 6.68 0.071 0.667 0.394 0.383 341.346 390.000 8.698 27 - 790000 158000.00 42.181 7.355 49.536 5.07 0.071 0.750 0.193 0.142 382.688 390.000 8.128 27 - 800000 160000.00 38.515 9.225 47.740 8.42 0.143 0.600 0.155 0.426 349.425 390.000 12.123 27 - 810000 162000.00 44.842 4.134 48.976 6.57 0.071 0.857 0.370 0.506 406.829 390.000 7.053 27 - 820000 164000.00 35.490 8.469 43.960 8.40 0.071 0.500 0.159 0.767 321.986 390.000 11.841 27 - 830000 166000.00 35.110 8.611 43.721 5.73 0.071 0.800 0.318 0.796 318.534 390.000 7.860 27 - 840000 168000.00 48.475 18.387 66.862 6.23 0.071 0.667 0.333 0.436 439.794 390.000 9.331 27 - 850000 170000.00 46.861 18.908 65.769 7.18 0.000 1.000 0.280 0.295 425.149 390.000 9.743 27 - 860000 172000.00 33.293 18.221 51.514 5.14 0.071 0.000 0.727 0.792 302.049 390.000 8.951 27 - 870000 174000.00 44.368 9.408 53.776 8.66 0.000 1.000 0.152 0.587 402.528 390.000 10.984 27 - 880000 176000.00 35.307 8.747 44.054 5.38 0.071 0.750 0.205 0.416 320.323 390.000 8.703 27 - 890000 178000.00 41.071 6.564 47.634 7.80 0.071 0.750 0.205 1.012 372.613 390.000 9.924 27 - 900000 180000.00 33.729 13.060 46.790 7.81 0.000 1.000 0.197 0.416 306.010 390.000 10.309 27 - 910000 182000.00 41.386 5.316 46.702 5.32 0.143 0.333 0.152 0.921 375.472 390.000 9.420 27 - 920000 184000.00 37.687 13.030 50.717 5.37 0.000 1.000 0.193 0.894 341.916 390.000 8.390 27 - 930000 186000.00 43.415 7.603 51.019 9.16 0.071 0.500 0.182 0.266 393.885 390.000 12.339 27 - 940000 188000.00 37.279 16.824 54.104 6.58 0.000 1.000 0.159 0.208 338.218 390.000 9.958 27 - 950000 190000.00 40.446 9.723 50.169 7.74 0.000 1.000 0.386 0.667 366.950 390.000 9.814 27 - 960000 192000.00 35.348 14.913 50.260 6.25 0.071 0.750 0.295 0.413 320.691 390.000 9.637 27 - 970000 194000.00 31.338 15.462 46.800 8.66 0.000 1.000 0.242 0.830 284.315 390.000 11.604 27 - 980000 196000.00 40.293 12.695 52.988 5.02 0.071 0.667 0.288 0.955 365.563 390.000 8.211 27 - 990000 198000.00 29.569 8.865 38.434 4.95 0.143 0.600 0.400 0.402 268.268 390.000 8.248 27 - 1000000 200000.00 46.712 13.251 59.963 8.34 0.000 NaN NaN 0.218 423.800 390.000 11.920 27