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_GB003.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB003.stat;h=0000000000000000000000000000000000000000;hp=0a9ba6716cf26b5517a31ba03cf8980a78bebaba;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat deleted file mode 100644 index 0a9ba67..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB003.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 28.189 660.316 688.505 0.00 1.000 0.000 0.308 8.662 255.747 280.000 7.001 3 - 10000 2000.00 30.305 -47.522 -17.217 1.63 0.429 0.647 0.337 1.561 274.946 280.000 6.703 3 - 20000 4000.00 27.324 -47.114 -19.790 2.94 0.286 0.733 0.352 2.102 247.896 280.000 6.780 3 - 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800000 160000.00 24.897 -43.772 -18.875 3.37 0.286 0.667 0.326 1.553 225.877 270.000 6.436 3 - 810000 162000.00 26.118 -48.643 -22.525 3.14 0.286 0.733 0.324 0.591 236.959 270.000 6.580 3 - 820000 164000.00 35.022 -45.682 -10.660 2.49 0.500 0.462 0.255 1.253 317.736 270.000 6.510 3 - 830000 166000.00 27.692 -47.943 -20.251 2.41 0.571 0.556 0.250 2.465 251.234 270.000 6.586 3 - 840000 168000.00 23.916 -51.940 -28.024 2.50 0.500 0.562 0.315 2.022 216.974 270.000 6.362 3 - 850000 170000.00 24.842 -42.531 -17.689 4.75 0.357 0.643 0.351 1.535 225.375 270.000 6.562 3 - 860000 172000.00 29.706 -46.087 -16.381 3.50 0.429 0.571 0.289 1.137 269.512 270.000 6.604 3 - 870000 174000.00 18.737 -47.238 -28.501 3.60 0.500 0.562 0.392 2.112 169.994 270.000 6.225 3 - 880000 176000.00 31.744 -43.477 -11.733 3.28 0.357 0.667 0.318 2.445 287.995 270.000 6.874 3 - 890000 178000.00 29.315 -42.028 -12.713 2.89 0.357 0.444 0.278 1.164 265.961 270.000 6.579 3 - 900000 180000.00 24.958 -45.263 -20.305 3.12 0.500 0.611 0.270 1.077 226.429 270.000 6.581 3 - 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