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_1l2y%2F1L2Y_REMD_GB012.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2F1L2Y_REMD_GB012.stat;h=0000000000000000000000000000000000000000;hp=053ea84d136d8bf1a8df6a2dfe6f140bda259049;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat deleted file mode 100644 index 053ea84..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 26.618 68.800 95.418 0.00 1.000 0.000 0.308 1.973 241.491 370.000 7.001 12 - 10000 2000.00 30.909 15.047 45.956 7.36 0.143 0.333 0.136 0.560 280.425 370.000 10.389 12 - 20000 4000.00 38.353 -3.744 34.609 5.90 0.143 0.500 0.148 0.465 347.957 370.000 9.336 12 - 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800000 160000.00 29.702 -3.800 25.902 6.61 0.143 0.800 0.268 0.577 269.468 350.000 7.916 12 - 810000 162000.00 27.624 0.666 28.290 4.57 0.071 0.875 0.278 0.319 250.618 340.000 7.273 12 - 820000 164000.00 34.112 0.918 35.030 4.91 0.143 0.600 0.173 0.503 309.483 340.000 8.383 12 - 830000 166000.00 32.797 -4.360 28.437 4.32 0.214 0.625 0.176 0.684 297.550 340.000 8.238 12 - 840000 168000.00 29.986 -13.978 16.008 4.89 0.071 0.875 0.312 0.233 272.050 340.000 8.129 12 - 850000 170000.00 32.284 -10.415 21.869 4.28 0.214 0.625 0.273 0.397 292.899 340.000 7.274 12 - 860000 172000.00 27.904 11.562 39.466 6.00 0.071 0.800 0.191 0.471 253.163 340.000 9.082 12 - 870000 174000.00 45.735 -10.071 35.665 4.64 0.143 0.778 0.384 0.516 414.935 340.000 7.250 12 - 880000 176000.00 37.488 -4.690 32.798 5.74 0.286 0.636 0.393 0.419 340.106 340.000 7.003 12 - 890000 178000.00 31.721 0.028 31.750 5.41 0.071 0.750 0.239 0.398 287.793 340.000 7.845 12 - 900000 180000.00 40.713 8.233 48.946 6.43 0.214 0.571 0.188 0.853 369.370 340.000 8.492 12 - 910000 182000.00 33.955 -20.347 13.608 3.72 0.214 0.700 0.305 0.349 308.059 330.000 7.115 12 - 920000 184000.00 28.355 -9.054 19.300 4.43 0.357 0.667 0.255 0.796 257.247 330.000 7.076 12 - 930000 186000.00 35.022 -5.775 29.247 4.47 0.214 0.700 0.345 0.832 317.738 330.000 7.105 12 - 940000 188000.00 34.123 -9.206 24.917 4.27 0.214 0.786 0.224 0.330 309.582 330.000 7.126 12 - 950000 190000.00 34.682 -12.186 22.496 8.28 0.071 0.833 0.167 0.708 314.651 330.000 10.081 12 - 960000 192000.00 21.490 -17.577 3.913 4.62 0.143 0.800 0.314 0.586 194.967 330.000 6.904 12 - 970000 194000.00 33.578 -7.657 25.921 6.02 0.071 0.833 0.295 1.275 304.637 330.000 8.520 12 - 980000 196000.00 38.190 -12.054 26.136 6.19 0.214 0.700 0.182 1.118 346.483 330.000 8.933 12 - 990000 198000.00 36.917 -4.764 32.153 5.51 0.143 0.667 0.386 1.064 334.930 330.000 7.044 12 - 1000000 200000.00 26.752 10.020 36.772 5.40 0.143 0.800 0.386 0.589 242.709 330.000 7.424 12