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_GB002.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2F1L2Y_REMD_GB002.stat;h=0000000000000000000000000000000000000000;hp=9c126a6846f4cc5594d9fc5d23d26cfd663df4e9;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB002.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB002.stat deleted file mode 100644 index 9c126a6..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB002.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 30.073 61.406 91.479 0.00 1.000 0.000 0.308 1.971 272.840 270.000 7.001 2 - 10000 2000.00 25.911 -34.723 -8.812 2.90 0.429 0.538 0.287 0.322 235.077 270.000 6.569 2 - 20000 4000.00 34.203 -29.910 4.293 4.01 0.286 0.600 0.177 0.421 310.305 270.000 7.588 2 - 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800000 160000.00 28.198 -30.055 -1.857 2.93 0.429 0.625 0.213 0.959 255.825 300.000 6.732 2 - 810000 162000.00 28.528 -36.610 -8.082 3.08 0.357 0.667 0.288 0.349 258.821 290.000 7.191 2 - 820000 164000.00 29.194 -32.151 -2.957 3.05 0.357 0.643 0.205 0.782 264.864 290.000 6.893 2 - 830000 166000.00 31.214 -34.380 -3.167 2.74 0.429 0.600 0.318 0.471 283.186 290.000 6.467 2 - 840000 168000.00 34.204 -32.207 1.998 2.72 0.429 0.571 0.221 0.841 310.318 290.000 7.174 2 - 850000 170000.00 30.836 -25.515 5.321 3.33 0.357 0.583 0.269 0.571 279.758 290.000 6.692 2 - 860000 172000.00 30.819 -36.972 -6.153 2.81 0.286 0.692 0.238 0.362 279.606 290.000 7.222 2 - 870000 174000.00 24.474 -35.552 -11.078 3.28 0.357 0.688 0.381 0.382 222.040 290.000 6.343 2 - 880000 176000.00 27.963 -30.920 -2.957 2.62 0.429 0.500 0.333 0.358 253.697 290.000 6.859 2 - 890000 178000.00 26.166 -30.962 -4.797 3.59 0.357 0.722 0.379 0.309 237.389 290.000 6.424 2 - 900000 180000.00 29.511 -31.966 -2.455 2.93 0.357 0.583 0.307 0.665 267.739 290.000 7.120 2 - 910000 182000.00 39.503 -5.717 33.786 7.15 0.143 0.714 0.169 0.498 358.391 310.000 9.863 2 - 920000 184000.00 25.155 -19.436 5.719 2.76 0.357 0.375 0.170 0.513 228.216 310.000 7.372 2 - 930000 186000.00 31.093 -28.139 2.954 3.62 0.286 0.714 0.221 0.340 282.094 310.000 7.386 2 - 940000 188000.00 38.976 -31.570 7.407 2.77 0.357 0.615 0.301 0.528 353.613 310.000 6.903 2 - 950000 190000.00 26.768 -13.970 12.798 2.57 0.143 0.778 0.202 0.371 242.851 310.000 7.217 2 - 960000 192000.00 29.864 -12.080 17.784 6.48 0.143 0.818 0.256 0.547 270.938 310.000 7.882 2 - 970000 194000.00 30.493 -17.888 12.605 3.04 0.143 0.857 0.312 0.713 276.651 310.000 6.884 2 - 980000 196000.00 35.455 -15.471 19.984 5.46 0.071 0.889 0.242 0.445 321.670 310.000 7.193 2 - 990000 198000.00 34.052 -12.521 21.531 3.27 0.286 0.600 0.268 1.171 308.935 310.000 6.587 2 - 1000000 200000.00 40.825 -19.738 21.087 4.51 0.071 0.857 0.208 0.252 370.384 310.000 7.660 2