X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB011.stat;h=ee2f439f94183947a85271cc709ba419831ed97a;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=197f0e8042d2dfd5ac7047d95849e41c8e498124;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat index 197f0e8..ee2f439 100644 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat +++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB011.stat @@ -1,101 +1,101 @@ - 0 0.00 32.976 116.133 149.109 12.87 0.000 NaN NaN 4.851 299.179 270.000 15.552 11 - 10000 2000.00 29.593 -35.661 -6.068 4.55 0.286 0.692 0.255 0.487 268.483 270.000 6.610 11 - 20000 4000.00 27.906 -36.570 -8.664 4.27 0.286 0.600 0.345 0.330 253.175 270.000 6.978 11 - 30000 6000.00 29.238 -30.024 -0.786 4.67 0.214 0.750 0.330 0.733 265.264 270.000 6.826 11 - 40000 8000.00 35.447 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0.697 273.570 290.000 7.145 11 + 620000 124000.00 28.565 -30.340 -1.775 3.32 0.357 0.615 0.241 0.496 259.159 290.000 7.000 11 + 630000 126000.00 20.618 -37.068 -16.450 3.24 0.286 0.714 0.370 0.297 187.061 290.000 6.340 11 + 640000 128000.00 31.558 -28.192 3.366 3.84 0.357 0.583 0.258 0.468 286.308 290.000 6.567 11 + 650000 130000.00 31.685 -30.647 1.038 3.27 0.357 0.615 0.255 0.982 287.466 290.000 7.034 11 + 660000 132000.00 25.286 -27.488 -2.202 2.71 0.286 0.714 0.250 0.744 229.409 290.000 6.871 11 + 670000 134000.00 35.310 -30.763 4.546 3.52 0.214 0.857 0.338 0.451 320.346 290.000 6.663 11 + 680000 136000.00 31.963 -29.099 2.864 2.68 0.357 0.545 0.211 0.682 289.983 290.000 6.730 11 + 690000 138000.00 24.941 -32.571 -7.629 3.62 0.286 0.789 0.313 1.468 226.280 290.000 6.340 11 + 700000 140000.00 34.874 -37.835 -2.960 3.42 0.214 0.769 0.259 0.701 316.397 290.000 6.648 11 + 710000 142000.00 24.355 -36.824 -12.469 2.78 0.357 0.583 0.174 0.329 220.964 280.000 7.150 11 + 720000 144000.00 30.075 -41.667 -11.592 2.71 0.286 0.765 0.257 1.287 272.854 280.000 6.507 11 + 730000 146000.00 22.379 -33.863 -11.484 3.21 0.286 0.636 0.302 0.476 203.033 280.000 6.711 11 + 740000 148000.00 32.988 -40.657 -7.669 2.81 0.286 0.778 0.301 0.779 299.282 280.000 6.446 11 + 750000 150000.00 25.195 -37.636 -12.441 3.63 0.214 0.667 0.187 0.154 228.584 280.000 7.916 11 + 760000 152000.00 21.657 -33.090 -11.433 2.94 0.357 0.615 0.280 0.364 196.483 280.000 6.900 11 + 770000 154000.00 25.417 -32.396 -6.979 3.79 0.071 0.889 0.348 0.599 230.599 280.000 6.270 11 + 780000 156000.00 28.025 -40.184 -12.159 3.75 0.357 0.688 0.310 0.200 254.257 280.000 6.099 11 + 790000 158000.00 23.569 -43.968 -20.399 3.09 0.214 0.824 0.366 0.538 213.829 280.000 6.326 11 + 800000 160000.00 29.404 -42.420 -13.016 3.52 0.214 0.750 0.288 0.724 266.770 280.000 6.506 11 + 810000 162000.00 25.241 -38.917 -13.676 2.63 0.429 0.571 0.266 0.792 229.000 280.000 6.742 11 + 820000 164000.00 24.857 -41.005 -16.148 2.84 0.357 0.706 0.385 0.960 225.517 280.000 6.435 11 + 830000 166000.00 28.712 -37.443 -8.731 2.52 0.500 0.462 0.206 0.374 260.492 280.000 7.086 11 + 840000 168000.00 34.824 -29.204 5.621 4.78 0.286 0.600 0.186 0.866 315.942 280.000 7.731 11 + 850000 170000.00 24.844 -27.763 -2.919 5.85 0.286 0.500 0.199 0.520 225.396 280.000 8.338 11 + 860000 172000.00 28.433 -35.924 -7.491 7.01 0.214 0.750 0.242 0.698 257.958 280.000 7.270 11 + 870000 174000.00 26.820 -28.837 -2.017 4.81 0.143 0.818 0.273 0.208 243.325 280.000 7.302 11 + 880000 176000.00 34.467 -35.026 -0.558 6.23 0.357 0.583 0.174 0.566 312.706 280.000 8.199 11 + 890000 178000.00 29.739 -37.186 -7.446 4.05 0.214 0.786 0.318 0.417 269.808 280.000 6.921 11 + 900000 180000.00 28.558 -38.435 -9.877 5.99 0.429 0.571 0.169 0.351 259.094 280.000 8.656 11 + 910000 182000.00 28.359 -29.878 -1.519 4.06 0.214 0.727 0.178 0.158 257.291 280.000 7.453 11 + 920000 184000.00 26.985 -27.277 -0.292 7.26 0.357 0.545 0.174 0.401 244.826 280.000 8.761 11 + 930000 186000.00 25.943 -25.646 0.298 7.47 0.286 0.667 0.186 0.781 235.372 280.000 8.500 11 + 940000 188000.00 28.298 -27.316 0.982 4.61 0.500 0.533 0.245 0.790 256.735 280.000 7.200 11 + 950000 190000.00 31.381 -30.259 1.122 3.96 0.429 0.625 0.185 1.379 284.706 280.000 6.948 11 + 960000 192000.00 23.568 -20.673 2.895 5.15 0.357 0.444 0.187 0.227 213.817 280.000 7.729 11 + 970000 194000.00 32.796 -32.402 0.394 3.94 0.214 0.700 0.177 0.336 297.544 280.000 7.823 11 + 980000 196000.00 27.849 -26.290 1.559 7.03 0.357 0.375 0.170 0.512 252.663 280.000 8.255 11 + 990000 198000.00 25.869 -32.636 -6.767 6.70 0.286 0.733 0.252 0.512 234.698 280.000 7.051 11 + 1000000 200000.00 24.201 -33.762 -9.562 4.22 0.143 0.800 0.332 0.541 219.561 280.000 7.037 11