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_GB020.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB020.stat;h=0000000000000000000000000000000000000000;hp=cdea226bd46a4ae8570f3df4baa586bd37c505c6;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat deleted file mode 100644 index cdea226..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 29.899 113.442 143.341 12.87 0.000 NaN NaN 4.850 271.263 350.000 15.552 20 - 10000 2000.00 32.773 10.092 42.865 7.98 0.000 1.000 0.205 0.236 297.333 350.000 10.798 20 - 20000 4000.00 35.597 -1.939 33.658 6.99 0.143 0.333 0.197 0.821 322.955 350.000 11.022 20 - 30000 6000.00 38.551 -6.495 32.056 4.07 0.143 0.714 0.266 0.209 349.750 350.000 7.204 20 - 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700000 140000.00 33.273 -13.696 19.577 6.09 0.071 0.909 0.351 0.705 301.872 340.000 7.993 20 - 710000 142000.00 26.460 -14.053 12.407 2.82 0.357 0.500 0.209 0.260 240.059 320.000 7.421 20 - 720000 144000.00 26.272 -13.016 13.256 4.47 0.214 0.500 0.182 0.588 238.357 320.000 8.839 20 - 730000 146000.00 39.706 -4.863 34.842 4.63 0.143 0.714 0.312 0.339 360.230 320.000 7.222 20 - 740000 148000.00 31.940 -7.477 24.463 3.54 0.286 0.733 0.342 0.877 289.780 320.000 7.227 20 - 750000 150000.00 26.602 -15.594 11.008 3.68 0.429 0.333 0.187 0.493 241.347 320.000 7.538 20 - 760000 152000.00 26.780 -6.036 20.744 3.94 0.143 0.750 0.330 0.770 242.961 320.000 7.627 20 - 770000 154000.00 24.055 0.840 24.894 8.10 0.071 0.857 0.214 0.671 218.237 320.000 9.985 20 - 780000 156000.00 24.757 -11.268 13.490 4.17 0.357 0.375 0.250 0.414 224.613 320.000 7.237 20 - 790000 158000.00 33.306 -11.246 22.060 5.38 0.143 0.800 0.268 0.798 302.170 320.000 7.437 20 - 800000 160000.00 33.978 -16.881 17.097 3.28 0.429 0.538 0.325 0.850 308.267 320.000 7.025 20 - 810000 162000.00 29.884 -10.915 18.968 2.61 0.286 0.500 0.244 0.411 271.119 320.000 7.316 20 - 820000 164000.00 39.564 -17.899 21.665 4.07 0.214 0.571 0.169 0.765 358.946 320.000 7.821 20 - 830000 166000.00 25.965 -14.136 11.829 3.25 0.214 0.769 0.290 0.122 235.571 320.000 7.050 20 - 840000 168000.00 32.718 -10.541 22.177 2.96 0.357 0.545 0.310 0.208 296.836 320.000 7.252 20 - 850000 170000.00 30.319 -14.625 15.694 6.53 0.214 0.727 0.211 0.815 275.070 320.000 7.796 20 - 860000 172000.00 32.705 -9.609 23.096 5.79 0.000 1.000 0.356 0.702 296.715 320.000 7.927 20 - 870000 174000.00 31.190 -10.185 21.006 4.96 0.071 0.857 0.338 0.395 282.974 320.000 7.662 20 - 880000 176000.00 36.373 -25.042 11.331 3.40 0.286 0.778 0.321 0.304 329.994 320.000 6.730 20 - 890000 178000.00 28.730 -28.257 0.472 2.97 0.214 0.700 0.168 1.193 260.650 320.000 7.476 20 - 900000 180000.00 31.558 -19.545 12.013 4.94 0.214 0.571 0.156 0.566 286.311 320.000 8.893 20 - 910000 182000.00 28.790 -19.355 9.435 4.52 0.286 0.333 0.167 0.563 261.197 300.000 8.971 20 - 920000 184000.00 38.354 -20.773 17.581 3.18 0.286 0.733 0.255 0.876 347.971 300.000 6.875 20 - 930000 186000.00 35.074 -21.407 13.667 4.84 0.214 0.750 0.197 0.545 318.213 300.000 8.159 20 - 940000 188000.00 33.117 -34.360 -1.243 2.95 0.286 0.733 0.321 0.788 300.453 300.000 6.502 20 - 950000 190000.00 24.667 -19.233 5.433 3.27 0.214 0.667 0.227 0.706 223.789 300.000 7.442 20 - 960000 192000.00 32.764 -26.925 5.839 2.50 0.429 0.455 0.252 0.456 297.255 300.000 6.878 20 - 970000 194000.00 32.851 -30.361 2.490 2.95 0.429 0.333 0.177 0.533 298.040 300.000 7.522 20 - 980000 196000.00 27.941 -26.887 1.054 2.96 0.286 0.692 0.248 0.708 253.492 300.000 7.088 20 - 990000 198000.00 29.587 -26.301 3.286 3.45 0.286 0.600 0.277 0.640 268.427 300.000 6.904 20 - 1000000 200000.00 32.539 -24.567 7.973 3.17 0.214 0.667 0.283 0.666 295.214 300.000 7.378 20