X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB015.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB015.stat;h=0000000000000000000000000000000000000000;hp=4f826663159add18239151df247160bd4d2a3f1f;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat deleted file mode 100644 index 4f82666..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 43.954 672.425 716.378 0.00 1.000 0.000 0.308 8.653 398.770 400.000 7.001 15 - 10000 2000.00 33.331 11.629 44.960 4.97 0.071 0.857 0.403 1.539 302.397 400.000 9.299 15 - 20000 4000.00 31.896 6.706 38.601 7.17 0.071 0.000 0.136 2.316 289.374 400.000 11.392 15 - 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690000 138000.00 30.556 -18.711 11.845 5.91 0.143 0.750 0.295 1.962 277.220 340.000 8.078 15 - 700000 140000.00 31.539 -2.001 29.538 4.74 0.071 0.750 0.273 2.050 286.142 340.000 8.749 15 - 710000 142000.00 32.961 -6.548 26.412 6.17 0.143 0.667 0.318 1.476 299.035 380.000 8.114 15 - 720000 144000.00 33.254 0.973 34.227 8.21 0.071 0.667 0.152 2.459 301.700 380.000 11.429 15 - 730000 146000.00 44.902 -0.473 44.430 6.59 0.071 0.833 0.265 2.454 407.377 380.000 9.955 15 - 740000 148000.00 47.071 -10.528 36.544 5.04 0.143 0.000 0.159 1.387 427.056 380.000 9.174 15 - 750000 150000.00 32.923 -3.985 28.938 4.92 0.214 0.400 0.218 1.165 298.694 380.000 8.368 15 - 760000 152000.00 31.677 2.188 33.865 11.57 0.071 0.000 0.182 1.565 287.389 380.000 14.504 15 - 770000 154000.00 34.829 8.774 43.604 4.54 0.000 1.000 0.518 4.090 315.987 380.000 8.270 15 - 780000 156000.00 43.997 -1.353 42.644 4.69 0.143 0.500 0.182 5.338 399.160 380.000 9.625 15 - 790000 158000.00 32.124 2.076 34.200 9.35 0.286 0.200 0.155 2.233 291.446 380.000 11.695 15 - 800000 160000.00 39.139 1.241 40.380 5.40 0.214 0.250 0.261 2.055 355.090 380.000 7.937 15 - 810000 162000.00 29.212 8.487 37.699 8.92 0.071 0.000 0.182 1.224 265.025 370.000 11.716 15 - 820000 164000.00 44.604 -0.232 44.372 8.90 0.071 0.000 0.136 2.085 404.675 370.000 11.062 15 - 830000 166000.00 37.900 11.026 48.926 5.89 0.000 1.000 0.258 1.130 343.852 370.000 9.316 15 - 840000 168000.00 36.695 1.202 37.897 6.10 0.000 1.000 0.364 2.956 332.917 370.000 8.357 15 - 850000 170000.00 38.625 -4.026 34.600 6.17 0.143 0.500 0.170 1.764 350.427 370.000 8.286 15 - 860000 172000.00 42.234 12.622 54.856 5.29 0.000 1.000 0.330 3.364 383.168 370.000 7.611 15 - 870000 174000.00 39.366 2.736 42.102 5.09 0.071 0.500 0.159 0.674 357.152 370.000 9.150 15 - 880000 176000.00 39.280 -3.187 36.093 5.29 0.143 0.500 0.409 2.125 356.373 370.000 7.925 15 - 890000 178000.00 43.613 -13.320 30.293 8.01 0.071 0.800 0.227 2.075 395.680 370.000 8.908 15 - 900000 180000.00 34.605 -11.733 22.872 5.97 0.214 0.571 0.266 1.264 313.958 370.000 8.057 15 - 910000 182000.00 34.511 -12.969 21.543 7.46 0.071 0.800 0.209 1.200 313.102 360.000 8.829 15 - 920000 184000.00 33.674 -0.188 33.486 8.31 0.214 0.400 0.200 1.501 305.505 360.000 10.577 15 - 930000 186000.00 33.313 -17.366 15.947 6.25 0.143 0.667 0.364 1.747 302.232 360.000 7.273 15 - 940000 188000.00 46.928 3.181 50.109 9.73 0.071 0.000 0.136 2.008 425.758 360.000 12.333 15 - 950000 190000.00 36.611 -2.696 33.915 6.48 0.143 0.500 0.170 1.050 332.155 360.000 9.808 15 - 960000 192000.00 41.055 -16.409 24.646 4.09 0.286 0.500 0.420 0.330 372.468 360.000 7.587 15 - 970000 194000.00 31.455 -22.909 8.546 4.63 0.000 1.000 0.364 1.369 285.376 360.000 7.298 15 - 980000 196000.00 39.090 -29.534 9.556 3.92 0.357 0.286 0.377 1.841 354.642 360.000 7.816 15 - 990000 198000.00 37.581 -13.426 24.155 10.21 0.214 0.400 0.164 1.485 340.952 360.000 13.547 15 - 1000000 200000.00 35.402 -12.254 23.148 5.81 0.143 0.714 0.390 1.559 321.185 360.000 7.515 15