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_GB004.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB004.stat;h=0000000000000000000000000000000000000000;hp=e0e7152554b70bf040f5fb20e50d60eed78b990d;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat deleted file mode 100644 index e0e7152..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB004.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 26.956 661.560 688.516 0.00 1.000 0.000 0.308 8.661 244.559 290.000 7.001 4 - 10000 2000.00 28.476 -25.786 2.690 3.33 0.286 0.429 0.201 2.198 258.350 290.000 7.903 4 - 20000 4000.00 27.835 -28.526 -0.691 4.90 0.429 0.455 0.194 1.639 252.537 290.000 7.902 4 - 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800000 160000.00 25.818 -37.804 -11.986 3.95 0.286 0.714 0.351 2.090 234.233 290.000 7.155 4 - 810000 162000.00 28.960 -34.786 -5.826 6.45 0.143 0.846 0.364 1.253 262.738 290.000 6.624 4 - 820000 164000.00 24.175 -23.177 0.998 5.54 0.214 0.812 0.401 3.254 219.327 290.000 6.488 4 - 830000 166000.00 28.240 -41.021 -12.781 4.22 0.214 0.786 0.370 0.971 256.207 290.000 6.500 4 - 840000 168000.00 29.564 -26.563 3.001 4.73 0.071 0.750 0.318 0.959 268.223 290.000 7.721 4 - 850000 170000.00 19.255 -32.078 -12.823 6.03 0.357 0.667 0.327 1.883 174.695 290.000 6.672 4 - 860000 172000.00 30.215 -30.159 0.057 3.94 0.357 0.688 0.244 1.526 274.129 290.000 6.739 4 - 870000 174000.00 35.389 -26.899 8.490 5.51 0.143 0.778 0.343 1.991 321.068 290.000 7.439 4 - 880000 176000.00 34.003 -36.206 -2.203 6.47 0.143 0.750 0.261 1.642 308.493 290.000 7.168 4 - 890000 178000.00 26.283 -31.338 -5.055 6.28 0.214 0.786 0.325 1.793 238.456 290.000 6.616 4 - 900000 180000.00 30.259 -37.568 -7.310 5.21 0.286 0.600 0.186 1.807 274.524 290.000 7.223 4 - 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