X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB017.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB017.stat;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=f10fcd698075f7b85ad664302f063b1c94eeb103;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat deleted file mode 100644 index f10fcd6..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB017.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 27.020 115.434 142.453 12.87 0.000 NaN NaN 4.850 245.136 290.000 15.552 17 - 10000 2000.00 29.155 -26.083 3.072 4.33 0.357 0.615 0.388 0.566 264.510 290.000 6.721 17 - 20000 4000.00 32.609 -25.833 6.776 5.22 0.143 0.800 0.264 0.925 295.850 290.000 7.901 17 - 30000 6000.00 28.810 -20.070 8.740 3.74 0.286 0.500 0.210 0.550 261.381 290.000 7.600 17 - 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480000 96000.00 44.740 8.725 53.465 5.57 0.000 1.000 0.545 0.393 405.900 390.000 8.116 17 - 490000 98000.00 35.868 14.536 50.404 9.85 0.071 0.500 0.159 0.401 325.413 390.000 12.956 17 - 500000 100000.00 37.472 13.020 50.492 5.80 0.143 0.714 0.253 0.621 339.964 390.000 9.435 17 - 510000 102000.00 41.890 9.166 51.056 5.79 0.071 0.667 0.152 0.597 380.047 380.000 8.908 17 - 520000 104000.00 38.458 12.232 50.690 5.22 0.071 0.800 0.218 0.680 348.912 380.000 9.572 17 - 530000 106000.00 35.508 14.077 49.585 6.96 0.071 0.833 0.227 0.274 322.146 380.000 8.318 17 - 540000 108000.00 43.648 16.125 59.772 6.83 0.000 1.000 0.455 0.194 395.993 380.000 10.603 17 - 550000 110000.00 42.124 8.793 50.917 7.41 0.071 0.857 0.390 0.663 382.173 380.000 7.016 17 - 560000 112000.00 37.235 9.560 46.795 5.07 0.143 0.600 0.336 1.239 337.813 380.000 9.102 17 - 570000 114000.00 31.993 20.245 52.238 7.42 0.000 1.000 0.136 0.824 290.259 380.000 11.499 17 - 580000 116000.00 43.979 10.840 54.819 6.30 0.071 0.800 0.191 0.536 399.001 380.000 8.195 17 - 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700000 140000.00 36.440 13.565 50.005 7.62 0.143 0.333 0.136 0.709 330.607 370.000 10.778 17 - 710000 142000.00 52.748 18.139 70.887 4.23 0.071 0.500 0.205 0.468 478.558 400.000 8.361 17 - 720000 144000.00 36.035 17.525 53.560 8.54 0.071 0.000 0.136 0.486 326.925 400.000 11.087 17 - 730000 146000.00 40.803 17.039 57.842 7.14 0.071 0.000 0.136 0.432 370.183 400.000 10.772 17 - 740000 148000.00 41.404 6.999 48.402 6.08 0.071 0.667 0.152 0.281 375.636 400.000 10.009 17 - 750000 150000.00 40.158 16.292 56.450 5.75 0.000 NaN NaN 0.302 364.335 400.000 9.176 17 - 760000 152000.00 55.137 12.355 67.492 5.19 0.000 1.000 0.227 1.089 500.228 400.000 8.536 17 - 770000 154000.00 44.456 14.020 58.476 6.98 0.143 0.750 0.301 0.607 403.327 400.000 7.110 17 - 780000 156000.00 30.113 3.525 33.637 9.27 0.143 0.333 0.136 0.691 273.198 400.000 12.802 17 - 790000 158000.00 44.137 19.604 63.740 6.26 0.071 0.857 0.318 0.791 400.431 400.000 7.732 17 - 800000 160000.00 43.906 14.428 58.333 9.66 0.000 NaN NaN 0.812 398.334 400.000 12.896 17 - 810000 162000.00 33.929 16.410 50.339 7.98 0.071 0.750 0.159 0.705 307.818 380.000 10.885 17 - 820000 164000.00 32.693 13.913 46.605 5.16 0.071 0.667 0.303 0.390 296.605 380.000 9.543 17 - 830000 166000.00 30.827 7.102 37.929 9.87 0.143 0.000 0.159 0.781 279.680 380.000 12.629 17 - 840000 168000.00 38.700 7.046 45.746 6.25 0.071 0.750 0.352 0.459 351.105 380.000 7.431 17 - 850000 170000.00 37.686 -2.042 35.644 7.91 0.000 1.000 0.250 0.438 341.903 380.000 10.827 17 - 860000 172000.00 38.102 15.465 53.567 8.82 0.071 0.000 0.182 0.348 345.681 380.000 12.196 17 - 870000 174000.00 39.594 14.102 53.697 4.18 0.071 0.889 0.505 0.587 359.221 380.000 7.067 17 - 880000 176000.00 39.498 3.973 43.470 6.85 0.000 1.000 0.159 0.264 358.342 380.000 9.741 17 - 890000 178000.00 45.560 2.531 48.091 6.78 0.071 0.833 0.235 0.198 413.348 380.000 8.426 17 - 900000 180000.00 36.383 6.766 43.150 5.41 0.071 0.875 0.347 0.612 330.090 380.000 8.965 17 - 910000 182000.00 30.076 5.151 35.228 7.05 0.000 1.000 0.409 0.251 272.869 400.000 8.827 17 - 920000 184000.00 38.298 8.587 46.886 4.65 0.143 0.500 0.159 0.729 347.463 400.000 8.546 17 - 930000 186000.00 42.226 20.547 62.773 6.99 0.143 0.500 0.216 0.622 383.094 400.000 9.974 17 - 940000 188000.00 48.916 11.294 60.209 7.98 0.000 NaN NaN 0.562 443.788 400.000 11.855 17 - 950000 190000.00 46.015 11.517 57.532 12.77 0.000 NaN NaN 0.280 417.470 400.000 16.504 17 - 960000 192000.00 38.090 10.611 48.701 10.24 0.071 0.000 0.182 0.356 345.576 400.000 13.760 17 - 970000 194000.00 37.152 11.503 48.656 4.73 0.071 0.857 0.390 0.464 337.066 400.000 7.581 17 - 980000 196000.00 48.506 7.254 55.761 4.98 0.071 0.750 0.455 0.476 440.076 400.000 8.468 17 - 990000 198000.00 35.938 9.955 45.893 7.31 0.000 1.000 0.432 0.452 326.046 400.000 9.171 17 - 1000000 200000.00 36.890 7.690 44.580 8.97 0.214 0.500 0.197 1.252 334.686 400.000 11.354 17