X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_GB002.stat;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_GB002.stat;h=0000000000000000000000000000000000000000;hp=25fdcaac8a1bb47bdcdd5683e99bded8faf0e742;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat deleted file mode 100644 index 25fdcaa..0000000 --- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_GB002.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 33.415 662.810 696.224 0.00 1.000 0.000 0.308 8.660 303.155 300.000 7.001 2 - 10000 2000.00 26.773 -22.975 3.798 3.87 0.214 0.750 0.371 1.466 242.899 300.000 7.548 2 - 20000 4000.00 37.784 -16.276 21.508 5.26 0.071 0.750 0.330 2.660 342.792 300.000 9.110 2 - 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800000 160000.00 30.734 -28.841 1.893 6.26 0.214 0.727 0.368 1.783 278.836 300.000 7.310 2 - 810000 162000.00 31.963 -18.585 13.378 3.32 0.357 0.375 0.261 1.206 289.984 300.000 7.350 2 - 820000 164000.00 34.083 -26.362 7.721 5.77 0.143 0.500 0.159 1.991 309.220 300.000 9.302 2 - 830000 166000.00 28.535 -14.884 13.651 4.46 0.071 0.667 0.318 2.643 258.881 300.000 7.801 2 - 840000 168000.00 31.252 -12.490 18.761 4.11 0.143 0.667 0.250 1.957 283.533 300.000 8.234 2 - 850000 170000.00 31.909 -31.177 0.733 5.39 0.286 0.636 0.318 1.533 289.499 300.000 7.174 2 - 860000 172000.00 30.045 -35.040 -4.996 4.66 0.143 0.833 0.318 2.302 272.581 300.000 6.752 2 - 870000 174000.00 21.850 -30.673 -8.822 4.90 0.214 0.667 0.374 1.900 198.238 300.000 7.723 2 - 880000 176000.00 30.429 -35.697 -5.268 3.68 0.286 0.600 0.441 1.497 276.066 300.000 6.781 2 - 890000 178000.00 24.919 -27.736 -2.817 3.11 0.214 0.700 0.195 2.038 226.080 300.000 7.200 2 - 900000 180000.00 23.136 -21.947 1.189 5.53 0.357 0.615 0.420 2.652 209.903 300.000 6.608 2 - 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