X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fmicrocanonical%2FVTS%2Fff_gab%2Foutputs%2F1L2Y_micro_GB002.stat;h=f1ce4dfa17c630a15573515d13c20b75eed12351;hb=56627f99475283f71afddaf370fdf68d7ac4fa8e;hp=4ddd7b85dc0849d6fcb81059680a2e6dad5ebade;hpb=8a4ebc81fc789b5ed956fcf191eefccc3baefc93;p=unres.git diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat index 4ddd7b8..f1ce4df 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat @@ -1,101 +1,101 @@ - 0 0.00 33.787 -51.451 -17.664 2.26 0.786 0.476 0.357 0.199 306.532 300.000 6.690 2 - 10000 100.00 28.424 -46.084 -17.661 1.97 0.571 0.429 0.312 0.061 257.873 300.000 7.035 2 - 20000 200.00 34.106 -51.768 -17.663 2.54 0.643 0.571 0.348 0.058 309.423 300.000 6.388 2 - 30000 300.00 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1.31 0.571 0.429 0.263 0.045 254.054 300.000 7.089 2 + 750000 7500.00 30.348 -55.014 -24.666 1.93 0.643 0.500 0.265 0.077 275.331 300.000 6.710 2 + 760000 7600.00 26.979 -51.643 -24.664 2.35 0.714 0.474 0.311 0.057 244.766 300.000 6.514 2 + 770000 7700.00 29.192 -53.857 -24.664 2.18 0.714 0.474 0.278 0.123 264.847 300.000 6.626 2 + 780000 7800.00 25.425 -50.088 -24.663 2.51 0.714 0.524 0.333 0.038 230.666 300.000 6.560 2 + 790000 7900.00 23.181 -47.844 -24.663 2.46 0.571 0.500 0.364 0.042 210.312 300.000 6.601 2 + 800000 8000.00 27.221 -51.884 -24.664 1.63 0.571 0.529 0.281 0.100 246.961 300.000 6.887 2 + 810000 8100.00 25.191 -49.853 -24.662 1.61 0.714 0.231 0.308 0.043 228.542 300.000 6.853 2 + 820000 8200.00 28.589 -53.253 -24.664 1.82 0.429 0.667 0.260 0.072 259.375 300.000 6.611 2 + 830000 8300.00 29.549 -54.214 -24.666 2.64 0.643 0.438 0.224 0.088 268.080 300.000 6.551 2 + 840000 8400.00 29.670 -54.333 -24.663 2.19 0.571 0.467 0.273 0.081 269.178 300.000 6.794 2 + 850000 8500.00 29.783 -54.447 -24.664 3.31 0.500 0.533 0.264 0.081 270.204 300.000 6.866 2 + 860000 8600.00 28.193 -52.856 -24.664 3.12 0.571 0.429 0.185 0.066 255.777 300.000 6.868 2 + 870000 8700.00 30.483 -55.148 -24.665 3.35 0.357 0.615 0.196 0.090 276.561 300.000 7.006 2 + 880000 8800.00 27.530 -52.194 -24.664 2.60 0.571 0.579 0.333 0.062 249.769 300.000 6.629 2 + 890000 8900.00 27.126 -51.790 -24.664 2.30 0.429 0.625 0.250 0.064 246.102 300.000 6.687 2 + 900000 9000.00 32.736 -57.402 -24.666 3.01 0.429 0.625 0.273 0.129 297.001 300.000 6.938 2 + 910000 9100.00 29.245 -53.909 -24.664 2.99 0.429 0.667 0.250 0.083 265.327 300.000 6.787 2 + 920000 9200.00 28.462 -53.126 -24.664 2.76 0.643 0.526 0.301 0.059 258.221 300.000 6.730 2 + 930000 9300.00 24.253 -48.917 -24.664 2.95 0.357 0.643 0.253 0.059 220.032 300.000 6.779 2 + 940000 9400.00 27.559 -52.224 -24.664 3.03 0.571 0.619 0.318 0.080 250.031 300.000 6.524 2 + 950000 9500.00 32.939 -57.603 -24.664 2.90 0.571 0.556 0.313 0.054 298.840 300.000 6.533 2 + 960000 9600.00 27.173 -51.838 -24.664 2.66 0.500 0.588 0.302 0.069 246.531 300.000 6.654 2 + 970000 9700.00 27.519 -52.183 -24.663 2.83 0.571 0.500 0.247 0.047 249.668 300.000 6.549 2 + 980000 9800.00 31.035 -55.699 -24.664 2.73 0.357 0.583 0.265 0.043 281.565 300.000 6.714 2 + 990000 9900.00 27.221 -51.884 -24.663 3.18 0.429 0.684 0.294 0.038 246.963 300.000 6.791 2 + 1000000 10000.00 33.922 -58.586 -24.664 3.29 0.429 0.647 0.249 0.056 307.760 300.000 6.896 2