X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_gab%2F1L2Y_MREMD_GB004.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_gab%2F1L2Y_MREMD_GB004.stat;h=0000000000000000000000000000000000000000;hp=67c7d47a53196a709d4a90dff22d9892f448c568;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat deleted file mode 100644 index 67c7d47..0000000 --- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB004.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 25.457 24.969 50.427 12.87 0.000 NaN NaN 0.709 230.962 270.000 15.552 4 - 10000 2000.00 29.422 -40.620 -11.197 2.74 0.286 0.600 0.191 1.493 266.934 270.000 6.842 4 - 20000 4000.00 25.740 -43.944 -18.204 2.42 0.357 0.444 0.278 1.579 233.523 270.000 7.114 4 - 30000 6000.00 32.940 -45.967 -13.028 2.05 0.357 0.615 0.301 1.250 298.846 270.000 6.680 4 - 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700000 140000.00 23.901 -42.885 -18.984 6.78 0.357 0.667 0.279 1.161 216.841 260.000 6.377 4 - 710000 142000.00 27.326 -35.587 -8.261 4.91 0.286 0.600 0.241 0.934 247.912 280.000 7.400 4 - 720000 144000.00 26.886 -39.533 -12.647 5.25 0.214 0.700 0.300 1.460 243.922 280.000 7.067 4 - 730000 146000.00 32.272 -39.137 -6.865 4.97 0.214 0.500 0.182 2.530 292.784 280.000 7.664 4 - 740000 148000.00 21.654 -35.138 -13.483 4.21 0.143 0.818 0.302 1.992 196.458 280.000 7.261 4 - 750000 150000.00 26.771 -41.122 -14.351 4.83 0.357 0.545 0.227 2.426 242.878 280.000 7.082 4 - 760000 152000.00 36.968 -47.411 -10.443 6.00 0.143 0.833 0.269 1.237 335.394 280.000 6.642 4 - 770000 154000.00 28.619 -25.152 3.467 6.08 0.286 0.636 0.211 0.879 259.643 280.000 7.717 4 - 780000 156000.00 29.345 -43.002 -13.657 3.68 0.500 0.588 0.334 1.443 266.237 280.000 6.373 4 - 790000 158000.00 32.521 -33.479 -0.958 2.96 0.214 0.625 0.250 1.172 295.048 280.000 7.347 4 - 800000 160000.00 30.208 -51.764 -21.557 3.96 0.286 0.714 0.416 1.737 274.062 280.000 6.435 4 - 810000 162000.00 26.469 -33.810 -7.341 3.78 0.286 0.636 0.298 1.756 240.145 280.000 8.120 4 - 820000 164000.00 24.831 -30.658 -5.828 3.83 0.286 0.667 0.341 2.022 225.275 280.000 6.771 4 - 830000 166000.00 26.360 -43.162 -16.802 3.35 0.286 0.714 0.253 0.668 239.154 280.000 6.736 4 - 840000 168000.00 22.773 -39.515 -16.743 3.40 0.500 0.588 0.342 1.358 206.605 280.000 7.733 4 - 850000 170000.00 21.729 -54.626 -32.897 3.51 0.429 0.667 0.341 1.781 197.139 280.000 6.729 4 - 860000 172000.00 29.046 -39.577 -10.531 3.76 0.286 0.667 0.273 1.655 263.525 280.000 6.866 4 - 870000 174000.00 33.468 -47.489 -14.021 3.11 0.357 0.545 0.277 1.525 303.641 280.000 6.609 4 - 880000 176000.00 28.462 -34.666 -6.204 2.47 0.286 0.733 0.264 2.463 258.220 280.000 6.781 4 - 890000 178000.00 24.142 -42.235 -18.093 2.65 0.357 0.667 0.306 2.317 219.026 280.000 6.450 4 - 900000 180000.00 28.385 -25.386 2.998 3.89 0.286 0.600 0.232 2.596 257.520 280.000 7.314 4 - 910000 182000.00 28.045 -34.337 -6.292 3.10 0.429 0.600 0.324 2.433 254.439 290.000 6.384 4 - 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