X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro_GB006.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro_GB006.stat;h=0000000000000000000000000000000000000000;hp=9a8a59d846fed645df67c8a979920652e225ab6e;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB006.stat b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB006.stat deleted file mode 100644 index 9a8a59d..0000000 --- a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB006.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 35.031 63.862 98.893 0.00 1.000 0.000 0.308 1.972 317.817 300.000 7.001 6 - 10000 100.00 76.316 22.569 98.885 4.61 0.000 1.000 0.420 0.056 692.381 300.000 8.160 6 - 20000 200.00 73.102 25.784 98.886 5.84 0.071 0.800 0.273 0.088 663.223 300.000 8.258 6 - 30000 300.00 74.301 24.585 98.887 4.90 0.143 0.600 0.182 0.017 674.102 300.000 9.278 6 - 40000 400.00 70.965 27.921 98.886 7.52 0.143 0.500 0.148 0.045 643.828 300.000 11.339 6 - 50000 500.00 79.656 19.230 98.887 8.86 0.214 0.400 0.164 0.065 722.684 300.000 10.843 6 - 60000 600.00 83.414 15.473 98.887 6.67 0.143 0.750 0.256 0.023 756.770 300.000 8.335 6 - 70000 700.00 62.865 36.023 98.888 8.49 0.143 0.333 0.152 0.026 570.347 300.000 10.468 6 - 80000 800.00 61.451 37.436 98.888 10.10 0.071 0.667 0.167 0.023 557.519 300.000 13.321 6 - 90000 900.00 71.643 27.245 98.888 9.47 0.071 0.667 0.167 0.034 649.981 300.000 12.974 6 - 100000 1000.00 71.682 27.206 98.888 8.42 0.214 0.000 0.152 0.017 650.332 300.000 11.231 6 - 110000 1100.00 73.976 24.909 98.885 6.73 0.000 NaN NaN 0.041 671.150 300.000 10.195 6 - 120000 1200.00 67.365 31.522 98.887 6.54 0.000 1.000 0.212 0.046 611.168 300.000 7.686 6 - 130000 1300.00 65.146 33.741 98.887 7.06 0.000 1.000 0.568 0.038 591.037 300.000 7.794 6 - 140000 1400.00 69.208 29.679 98.887 6.63 0.143 0.667 0.250 0.033 627.888 300.000 7.835 6 - 150000 1500.00 67.752 31.135 98.887 6.61 0.000 1.000 0.273 0.029 614.681 300.000 10.547 6 - 160000 1600.00 67.530 31.357 98.887 8.34 0.000 NaN NaN 0.040 612.665 300.000 12.574 6 - 170000 1700.00 67.156 31.730 98.886 10.23 0.000 NaN NaN 0.051 609.276 300.000 13.332 6 - 180000 1800.00 71.204 27.680 98.885 8.25 0.071 0.500 0.182 0.100 646.002 300.000 10.561 6 - 190000 1900.00 77.737 21.150 98.887 6.38 0.214 0.625 0.307 0.030 705.273 300.000 9.016 6 - 200000 2000.00 60.325 38.562 98.887 6.47 0.071 0.909 0.322 0.062 547.297 300.000 7.108 6 - 210000 2100.00 68.705 30.181 98.886 7.26 0.000 1.000 0.386 0.026 623.326 300.000 7.777 6 - 220000 2200.00 60.065 38.823 98.888 6.14 0.000 1.000 0.182 0.020 544.940 300.000 9.249 6 - 230000 2300.00 64.311 34.575 98.887 6.62 0.000 1.000 0.182 0.048 583.466 300.000 8.390 6 - 240000 2400.00 76.055 22.832 98.887 6.49 0.000 1.000 0.284 0.012 690.013 300.000 7.732 6 - 250000 2500.00 65.371 33.516 98.886 7.28 0.071 0.500 0.273 0.042 593.076 300.000 10.085 6 - 260000 2599.97 69.278 32.484 101.762 5.63 0.143 0.600 0.209 0.042 628.530 300.000 9.010 6 - 270000 2699.97 65.551 36.211 101.762 5.15 0.000 NaN NaN 0.056 594.709 300.000 9.157 6 - 280000 2799.97 83.168 18.593 101.762 7.69 0.000 1.000 0.136 0.054 754.545 300.000 10.504 6 - 290000 2899.97 75.245 26.517 101.762 6.26 0.214 0.250 0.182 0.018 682.666 300.000 9.622 6 - 300000 2999.97 74.043 27.719 101.763 6.66 0.143 0.600 0.300 0.028 671.759 300.000 9.660 6 - 310000 3099.97 78.442 23.321 101.762 5.28 0.143 0.333 0.212 0.010 711.665 300.000 8.508 6 - 320000 3199.97 75.877 25.885 101.763 7.14 0.071 0.800 0.336 0.019 688.399 300.000 7.337 6 - 330000 3299.97 75.829 25.934 101.763 5.77 0.071 0.667 0.152 0.029 687.958 300.000 9.592 6 - 340000 3399.97 68.864 32.898 101.762 7.68 0.071 0.500 0.136 0.032 624.766 300.000 10.657 6 - 350000 3499.97 75.299 26.463 101.762 7.59 0.071 0.500 0.182 0.029 683.150 300.000 11.335 6 - 360000 3599.97 63.968 37.794 101.762 5.96 0.000 NaN NaN 0.038 580.349 300.000 10.662 6 - 370000 3699.97 72.895 28.866 101.762 5.99 0.071 0.000 0.136 0.035 661.342 300.000 10.720 6 - 380000 3799.97 77.432 24.330 101.762 6.39 0.071 0.500 0.159 0.057 702.501 300.000 10.371 6 - 390000 3899.97 76.594 25.169 101.763 5.25 0.071 0.750 0.216 0.037 694.897 300.000 9.550 6 - 400000 3999.97 86.217 15.544 101.761 6.70 0.000 1.000 0.182 0.054 782.202 300.000 10.100 6 - 410000 4099.97 65.055 36.708 101.763 7.60 0.000 1.000 0.136 0.035 590.214 300.000 11.920 6 - 420000 4199.97 69.387 32.376 101.763 7.88 0.071 0.000 0.136 0.034 629.519 300.000 11.553 6 - 430000 4299.97 69.060 32.702 101.762 5.05 0.071 0.667 0.212 0.022 626.548 300.000 9.408 6 - 440000 4399.97 67.038 34.725 101.763 5.18 0.000 1.000 0.561 0.009 608.204 300.000 9.275 6 - 450000 4499.97 67.309 34.453 101.762 6.11 0.000 1.000 0.375 0.034 610.666 300.000 8.940 6 - 460000 4599.97 66.043 35.719 101.762 5.84 0.000 1.000 0.258 0.045 599.175 300.000 9.515 6 - 470000 4699.97 68.976 32.786 101.762 6.50 0.000 1.000 0.212 0.020 625.784 300.000 9.152 6 - 480000 4799.97 77.758 24.002 101.761 7.92 0.143 0.333 0.167 0.045 705.463 300.000 9.474 6 - 490000 4899.97 87.049 14.711 101.761 7.65 0.071 0.667 0.182 0.031 789.758 300.000 10.015 6 - 500000 4999.97 62.993 38.769 101.762 5.08 0.214 0.400 0.218 0.049 571.509 300.000 8.052 6 - 510000 5099.97 80.503 21.258 101.761 5.16 0.143 0.714 0.247 0.020 730.365 300.000 8.075 6 - 520000 5199.97 72.831 28.930 101.761 5.49 0.071 0.833 0.333 0.076 660.760 300.000 7.505 6 - 530000 5299.97 73.926 27.836 101.763 6.17 0.143 0.500 0.330 0.025 670.697 300.000 9.146 6 - 540000 5399.97 79.243 22.519 101.762 5.69 0.000 1.000 0.303 0.036 718.937 300.000 9.812 6 - 550000 5499.97 64.085 37.677 101.762 6.91 0.000 1.000 0.436 0.016 581.412 300.000 7.964 6 - 560000 5599.97 77.544 24.218 101.762 7.26 0.071 0.667 0.197 0.033 703.515 300.000 8.391 6 - 570000 5699.97 60.960 40.803 101.763 10.05 0.000 1.000 0.182 0.030 553.059 300.000 12.875 6 - 580000 5799.97 63.627 38.135 101.762 9.07 0.000 NaN NaN 0.050 577.254 300.000 13.091 6 - 590000 5899.97 80.314 21.447 101.761 7.04 0.000 1.000 0.212 0.046 728.647 300.000 8.283 6 - 600000 5999.97 74.283 27.479 101.762 6.72 0.071 0.857 0.240 0.064 673.930 300.000 7.923 6 - 610000 6099.97 69.100 32.662 101.762 7.60 0.071 0.750 0.182 0.079 626.908 300.000 10.168 6 - 620000 6199.97 67.076 34.686 101.763 6.27 0.143 0.600 0.164 0.052 608.553 300.000 10.254 6 - 630000 6299.97 63.154 38.609 101.763 7.18 0.000 1.000 0.159 0.045 572.966 300.000 11.021 6 - 640000 6399.97 57.417 44.345 101.763 7.86 0.000 1.000 0.136 0.036 520.918 300.000 12.113 6 - 650000 6499.97 72.646 29.116 101.762 6.53 0.071 0.667 0.182 0.026 659.082 300.000 10.600 6 - 660000 6599.97 79.710 22.053 101.763 7.64 0.071 0.750 0.148 0.028 723.169 300.000 10.314 6 - 670000 6699.97 70.370 31.393 101.762 8.18 0.071 0.750 0.170 0.010 638.429 300.000 11.119 6 - 680000 6799.97 73.303 28.459 101.761 8.77 0.071 0.750 0.170 0.051 665.039 300.000 11.642 6 - 690000 6899.97 73.162 28.601 101.762 9.85 0.000 1.000 0.152 0.021 663.760 300.000 12.422 6 - 700000 6999.97 75.986 25.775 101.761 6.21 0.071 0.000 0.136 0.101 689.385 300.000 10.693 6 - 710000 7099.97 72.093 29.668 101.762 5.24 0.143 0.500 0.136 0.075 654.067 300.000 9.050 6 - 720000 7199.97 77.638 24.125 101.763 3.65 0.000 1.000 0.136 0.009 704.369 300.000 8.912 6 - 730000 7299.97 74.542 27.220 101.762 4.19 0.000 1.000 0.439 0.031 676.283 300.000 8.799 6 - 740000 7399.97 73.095 28.667 101.762 7.00 0.000 1.000 0.227 0.031 663.155 300.000 9.554 6 - 750000 7499.97 66.569 35.193 101.762 11.53 0.000 NaN NaN 0.092 603.947 300.000 14.583 6 - 760000 7599.97 57.465 44.298 101.763 9.93 0.071 0.500 0.182 0.040 521.352 300.000 12.995 6 - 770000 7699.97 65.909 35.852 101.762 8.32 0.000 1.000 0.273 0.035 597.962 300.000 12.120 6 - 780000 7799.97 76.372 25.391 101.763 5.57 0.143 0.800 0.245 0.025 692.886 300.000 8.845 6 - 790000 7899.97 80.384 21.378 101.762 10.00 0.000 1.000 0.182 0.043 729.285 300.000 13.369 6 - 800000 7999.97 67.384 34.378 101.762 10.17 0.000 1.000 0.136 0.034 611.343 300.000 13.752 6 - 810000 8099.97 62.276 39.488 101.763 7.01 0.000 NaN NaN 0.013 564.997 300.000 10.669 6 - 820000 8199.97 74.015 27.748 101.763 6.90 0.071 0.833 0.318 0.034 671.502 300.000 9.838 6 - 830000 8299.97 65.599 36.160 101.758 7.19 0.143 0.500 0.193 0.088 595.145 300.000 11.359 6 - 840000 8399.97 71.142 30.618 101.759 6.76 0.143 0.600 0.164 0.055 645.433 300.000 10.294 6 - 850000 8499.97 77.565 24.193 101.758 4.95 0.071 0.800 0.200 0.026 703.705 300.000 9.103 6 - 860000 8599.97 67.921 33.838 101.759 5.46 0.071 0.667 0.167 0.049 616.211 300.000 9.883 6 - 870000 8699.97 67.041 34.718 101.759 5.02 0.071 0.500 0.318 0.027 608.228 300.000 9.014 6 - 880000 8799.97 75.039 26.720 101.759 6.11 0.000 NaN NaN 0.035 680.790 300.000 9.905 6 - 890000 8899.97 67.701 34.057 101.759 5.88 0.143 0.333 0.152 0.031 614.220 300.000 10.394 6 - 900000 8999.97 74.442 27.314 101.756 6.48 0.214 0.500 0.167 0.027 675.375 300.000 8.692 6 - 910000 9099.97 68.156 33.600 101.757 6.45 0.214 0.400 0.155 0.032 618.350 300.000 9.067 6 - 920000 9199.97 100.134 1.621 101.755 7.26 0.143 0.333 0.197 0.060 908.468 300.000 8.397 6 - 930000 9299.97 59.304 42.453 101.757 6.08 0.000 NaN NaN 0.016 538.037 300.000 10.239 6 - 940000 9399.97 92.649 9.107 101.755 5.38 0.214 0.571 0.221 0.022 840.558 300.000 9.805 6 - 950000 9499.97 66.789 34.968 101.757 5.60 0.000 1.000 0.182 0.021 605.943 300.000 9.812 6 - 960000 9599.97 65.373 36.384 101.756 7.88 0.071 0.800 0.200 0.045 593.096 300.000 11.718 6 - 970000 9699.97 72.754 29.002 101.756 9.45 0.071 0.500 0.159 0.027 660.064 300.000 12.703 6 - 980000 9799.97 73.297 28.459 101.756 8.66 0.000 1.000 0.197 0.025 664.988 300.000 11.824 6 - 990000 9899.97 72.561 29.195 101.755 10.14 0.000 1.000 0.136 0.063 658.308 300.000 13.235 6 - 1000000 9999.97 62.391 39.365 101.756 9.76 0.071 0.500 0.136 0.008 566.045 300.000 12.153 6