X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB053.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB053.stat;h=0000000000000000000000000000000000000000;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=982ec021e91753c61f202bf8eb6d442d83499fe3;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat deleted file mode 100644 index 982ec02..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 43.514 112.708 156.222 12.87 0.000 NaN NaN 4.850 394.782 380.000 15.552 53 - 10000 2000.00 42.514 7.038 49.552 7.46 0.071 0.800 0.327 1.275 385.711 380.000 8.795 53 - 20000 4000.00 30.645 7.499 38.143 6.88 0.071 0.750 0.193 0.590 278.023 380.000 10.251 53 - 30000 6000.00 46.281 15.035 61.316 5.75 0.071 0.500 0.159 0.344 419.882 380.000 9.809 53 - 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700000 140000.00 34.693 18.467 53.161 6.62 0.071 0.800 0.191 0.887 314.756 380.000 10.660 53 - 710000 142000.00 36.200 9.433 45.633 6.14 0.143 0.750 0.267 0.314 328.425 370.000 8.372 53 - 720000 144000.00 33.137 3.685 36.821 4.45 0.000 1.000 0.167 0.850 300.632 370.000 8.354 53 - 730000 146000.00 36.009 4.165 40.174 5.13 0.143 0.600 0.536 1.205 326.695 370.000 7.918 53 - 740000 148000.00 43.080 13.242 56.323 5.75 0.143 0.600 0.336 0.253 390.847 370.000 7.951 53 - 750000 150000.00 40.333 8.968 49.302 6.44 0.071 0.833 0.288 0.544 365.923 370.000 8.179 53 - 760000 152000.00 39.530 0.048 39.579 7.33 0.143 0.750 0.335 1.424 358.639 370.000 7.004 53 - 770000 154000.00 28.492 7.712 36.203 7.42 0.000 1.000 0.345 0.309 258.492 370.000 8.824 53 - 780000 156000.00 35.888 3.330 39.217 3.38 0.214 0.786 0.292 0.358 325.590 370.000 6.779 53 - 790000 158000.00 33.385 8.123 41.507 5.09 0.214 0.400 0.209 1.121 302.882 370.000 8.187 53 - 800000 160000.00 36.574 18.766 55.340 4.65 0.000 1.000 0.170 0.511 331.815 370.000 9.165 53 - 810000 162000.00 53.148 2.512 55.660 5.96 0.071 0.889 0.313 0.799 482.187 370.000 7.420 53 - 820000 164000.00 33.181 11.963 45.145 8.68 0.000 1.000 0.273 1.016 301.037 370.000 12.343 53 - 830000 166000.00 40.106 -1.443 38.663 7.47 0.071 0.800 0.236 1.196 363.864 370.000 11.117 53 - 840000 168000.00 36.277 -5.583 30.694 6.04 0.071 0.500 0.136 1.060 329.122 370.000 9.060 53 - 850000 170000.00 24.855 6.580 31.435 4.87 0.000 1.000 0.212 0.999 225.494 370.000 8.801 53 - 860000 172000.00 35.391 6.616 42.007 5.63 0.143 0.667 0.371 0.531 321.084 370.000 7.375 53 - 870000 174000.00 28.593 6.260 34.852 4.80 0.214 0.571 0.266 0.289 259.407 370.000 7.780 53 - 880000 176000.00 27.710 10.848 38.558 8.87 0.000 NaN NaN 0.672 251.397 370.000 12.212 53 - 890000 178000.00 35.273 10.545 45.817 7.51 0.214 0.400 0.200 0.205 320.012 370.000 10.157 53 - 900000 180000.00 33.800 3.495 37.295 4.54 0.143 0.600 0.227 0.256 306.655 370.000 8.578 53 - 910000 182000.00 44.870 -1.659 43.212 4.43 0.286 0.333 0.288 1.109 407.085 360.000 7.994 53 - 920000 184000.00 32.651 7.858 40.508 9.33 0.071 0.667 0.152 0.172 296.222 360.000 11.879 53 - 930000 186000.00 30.500 3.586 34.086 6.49 0.000 1.000 0.212 0.593 276.714 360.000 8.303 53 - 940000 188000.00 34.852 -1.871 32.981 6.95 0.071 0.800 0.182 0.816 316.198 360.000 11.077 53 - 950000 190000.00 39.217 3.764 42.981 5.80 0.071 0.800 0.173 0.313 355.796 360.000 9.746 53 - 960000 192000.00 34.273 11.556 45.828 6.25 0.000 1.000 0.568 0.439 310.941 360.000 7.643 53 - 970000 194000.00 32.964 -2.439 30.525 4.30 0.214 0.750 0.356 0.456 299.066 360.000 7.361 53 - 980000 196000.00 34.443 7.309 41.753 7.24 0.071 0.750 0.205 0.457 312.489 360.000 8.705 53 - 990000 198000.00 42.787 18.675 61.462 6.85 0.000 1.000 0.239 0.557 388.182 360.000 10.001 53 - 1000000 200000.00 26.919 8.109 35.028 7.28 0.071 0.667 0.273 0.433 244.225 360.000 8.615 53