X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB005.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB005.stat;h=0000000000000000000000000000000000000000;hp=d63756911e5533fe6b392170f15b93e096603444;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB005.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB005.stat deleted file mode 100644 index d637569..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB005.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 34.712 63.862 98.574 0.00 1.000 0.000 0.308 1.972 314.929 300.000 7.001 5 - 10000 100.00 61.863 36.708 98.571 4.73 0.143 0.500 0.227 0.029 561.253 300.000 7.727 5 - 20000 200.00 66.793 31.776 98.569 5.28 0.143 0.667 0.189 0.047 605.978 300.000 8.477 5 - 30000 300.00 85.479 13.089 98.568 5.16 0.071 0.667 0.167 0.061 775.506 300.000 9.149 5 - 40000 400.00 65.414 33.154 98.568 7.69 0.000 1.000 0.227 0.022 593.466 300.000 11.537 5 - 50000 500.00 74.238 24.329 98.567 9.36 0.143 0.600 0.227 0.031 673.524 300.000 11.175 5 - 60000 600.00 69.336 29.234 98.570 7.61 0.000 1.000 0.152 0.030 629.052 300.000 9.155 5 - 70000 700.00 68.908 29.659 98.567 7.27 0.071 0.500 0.159 0.060 625.169 300.000 10.553 5 - 80000 800.00 82.894 15.675 98.569 7.17 0.000 1.000 0.136 0.018 752.053 300.000 11.496 5 - 90000 900.00 70.519 28.048 98.567 7.19 0.000 NaN NaN 0.053 639.782 300.000 11.327 5 - 100000 1000.00 67.750 30.818 98.568 5.39 0.071 0.667 0.167 0.028 614.663 300.000 9.465 5 - 110000 1100.00 65.081 33.487 98.568 4.62 0.071 0.000 0.136 0.032 590.452 300.000 9.051 5 - 120000 1200.00 64.079 34.488 98.567 4.85 0.143 0.750 0.301 0.028 581.357 300.000 7.447 5 - 130000 1300.00 73.824 24.744 98.568 5.46 0.214 0.727 0.293 0.018 669.769 300.000 7.207 5 - 140000 1400.00 69.391 29.177 98.568 5.34 0.143 0.500 0.432 0.046 629.552 300.000 7.870 5 - 150000 1500.00 76.054 22.514 98.568 5.40 0.000 1.000 0.369 0.036 690.003 300.000 7.927 5 - 160000 1600.00 79.886 18.683 98.568 5.70 0.000 1.000 0.352 0.025 724.764 300.000 8.636 5 - 170000 1700.00 73.765 24.803 98.568 4.58 0.000 1.000 0.318 0.014 669.234 300.000 8.231 5 - 180000 1800.00 76.485 22.084 98.569 5.02 0.071 0.750 0.250 0.013 693.910 300.000 7.871 5 - 190000 1900.00 69.045 29.525 98.569 4.76 0.071 0.800 0.273 0.048 626.408 300.000 8.172 5 - 200000 2000.00 73.342 25.227 98.568 6.70 0.071 0.000 0.182 0.016 665.395 300.000 9.056 5 - 210000 2100.00 68.151 30.418 98.569 6.16 0.071 0.800 0.227 0.016 618.300 300.000 9.430 5 - 220000 2200.00 68.623 29.945 98.568 6.05 0.000 1.000 0.242 0.079 622.586 300.000 9.578 5 - 230000 2300.00 68.926 29.643 98.569 6.08 0.000 1.000 0.284 0.053 625.332 300.000 9.190 5 - 240000 2400.00 72.439 26.130 98.568 4.61 0.214 0.571 0.351 0.022 657.201 300.000 7.346 5 - 250000 2500.00 64.085 34.485 98.569 6.54 0.000 1.000 0.470 0.032 581.409 300.000 9.008 5 - 260000 2600.00 64.142 34.425 98.567 5.33 0.071 0.800 0.327 0.036 581.931 300.000 8.827 5 - 270000 2700.00 71.774 26.794 98.568 5.99 0.000 1.000 0.364 0.070 651.171 300.000 8.124 5 - 280000 2800.00 66.663 31.905 98.568 5.05 0.071 0.500 0.409 0.067 604.799 300.000 8.421 5 - 290000 2900.00 71.566 27.002 98.568 5.70 0.143 0.714 0.260 0.052 649.283 300.000 8.633 5 - 300000 3000.00 72.714 25.855 98.569 6.01 0.000 1.000 0.182 0.031 659.703 300.000 9.009 5 - 310000 3100.00 69.560 29.009 98.569 6.22 0.071 0.750 0.205 0.032 631.086 300.000 10.028 5 - 320000 3200.00 71.988 26.580 98.568 6.90 0.143 0.500 0.193 0.066 653.110 300.000 9.569 5 - 330000 3300.00 60.142 38.428 98.570 5.95 0.143 0.600 0.191 0.017 545.638 300.000 9.274 5 - 340000 3400.00 48.990 49.580 98.570 6.23 0.000 1.000 0.227 0.022 444.462 300.000 9.402 5 - 350000 3500.00 63.536 35.034 98.570 5.90 0.071 0.500 0.295 0.027 576.432 300.000 9.316 5 - 360000 3600.00 78.328 20.160 98.488 6.40 0.071 0.500 0.205 0.031 710.629 300.000 11.058 5 - 370000 3700.00 77.742 20.745 98.487 6.12 0.071 0.500 0.136 0.042 705.319 300.000 9.522 5 - 380000 3800.00 61.673 36.816 98.489 5.32 0.143 0.600 0.200 0.041 559.525 300.000 8.181 5 - 390000 3900.00 68.376 30.731 99.106 6.93 0.071 0.833 0.250 0.037 620.339 300.000 9.638 5 - 400000 4000.00 74.180 24.927 99.107 8.12 0.071 0.000 0.136 0.017 673.000 300.000 10.297 5 - 410000 4100.00 70.036 29.071 99.106 8.60 0.071 0.500 0.227 0.028 635.399 300.000 10.196 5 - 420000 4200.00 61.707 37.399 99.106 7.49 0.000 NaN NaN 0.011 559.840 300.000 11.716 5 - 430000 4300.00 58.179 40.927 99.106 8.42 0.071 0.500 0.159 0.054 527.834 300.000 12.412 5 - 440000 4400.00 69.040 30.067 99.107 7.46 0.071 0.667 0.167 0.034 626.366 300.000 10.731 5 - 450000 4500.00 66.597 32.509 99.107 7.32 0.143 0.750 0.244 0.023 604.207 300.000 8.768 5 - 460000 4600.00 63.567 35.540 99.107 7.08 0.000 1.000 0.227 0.059 576.712 300.000 9.769 5 - 470000 4700.00 76.202 22.903 99.105 5.34 0.071 0.667 0.152 0.032 691.348 300.000 9.887 5 - 480000 4800.00 63.689 35.418 99.106 6.42 0.071 0.500 0.136 0.049 577.815 300.000 11.587 5 - 490000 4900.00 66.628 32.478 99.106 6.68 0.143 0.333 0.136 0.043 604.480 300.000 10.751 5 - 500000 5000.00 74.443 24.663 99.106 7.83 0.071 0.667 0.136 0.050 675.385 300.000 11.175 5 - 510000 5100.00 61.227 37.880 99.106 8.94 0.000 NaN NaN 0.024 555.479 300.000 13.508 5 - 520000 5200.00 67.698 31.408 99.106 8.04 0.143 0.333 0.152 0.058 614.189 300.000 11.014 5 - 530000 5300.00 67.664 31.443 99.106 6.27 0.143 0.000 0.182 0.019 613.881 300.000 9.490 5 - 540000 5400.00 65.192 33.915 99.107 4.63 0.286 0.429 0.182 0.015 591.459 300.000 8.236 5 - 550000 5500.00 62.982 36.126 99.107 5.32 0.000 1.000 0.364 0.012 571.402 300.000 7.549 5 - 560000 5600.00 80.614 18.492 99.106 4.80 0.071 0.800 0.327 0.022 731.368 300.000 8.298 5 - 570000 5700.00 59.398 39.709 99.107 5.04 0.286 0.636 0.207 0.027 538.892 300.000 9.285 5 - 580000 5800.00 73.030 26.076 99.106 6.36 0.357 0.500 0.186 0.025 662.570 300.000 10.565 5 - 590000 5900.00 70.808 28.298 99.106 3.77 0.143 0.500 0.148 0.037 642.410 300.000 8.735 5 - 600000 6000.00 75.234 23.872 99.106 5.09 0.071 0.875 0.398 0.026 682.559 300.000 7.745 5 - 610000 6100.00 64.521 34.569 99.090 5.26 0.000 1.000 0.509 0.015 585.366 300.000 8.288 5 - 620000 6200.00 67.113 31.977 99.090 5.26 0.000 1.000 0.303 0.025 608.883 300.000 8.998 5 - 630000 6300.00 66.877 32.213 99.090 6.20 0.071 0.875 0.312 0.029 606.741 300.000 8.530 5 - 640000 6400.00 68.497 30.592 99.089 7.43 0.071 0.857 0.234 0.037 621.444 300.000 7.378 5 - 650000 6500.00 61.862 37.228 99.091 8.50 0.000 1.000 0.136 0.013 561.247 300.000 11.067 5 - 660000 6600.00 64.414 34.675 99.089 8.41 0.000 NaN NaN 0.040 584.398 300.000 12.357 5 - 670000 6700.00 68.237 30.852 99.089 8.08 0.071 0.000 0.136 0.037 619.078 300.000 11.193 5 - 680000 6800.00 74.300 24.790 99.090 7.32 0.071 0.750 0.250 0.021 674.084 300.000 10.891 5 - 690000 6900.00 65.884 33.206 99.090 5.97 0.071 0.000 0.136 0.032 597.735 300.000 10.240 5 - 700000 7000.00 53.797 45.293 99.090 7.15 0.071 0.500 0.159 0.029 488.075 300.000 11.199 5 - 710000 7100.00 64.646 34.444 99.090 8.98 0.143 0.500 0.182 0.037 586.503 300.000 11.997 5 - 720000 7200.00 68.409 30.681 99.090 8.94 0.000 NaN NaN 0.039 620.641 300.000 11.985 5 - 730000 7300.00 80.871 18.218 99.089 5.75 0.143 0.500 0.193 0.038 733.703 300.000 8.912 5 - 740000 7400.00 78.209 20.880 99.089 4.06 0.071 0.857 0.370 0.081 709.552 300.000 7.734 5 - 750000 7500.00 65.197 33.809 99.006 5.42 0.071 0.857 0.273 0.025 591.505 300.000 8.654 5 - 760000 7600.00 65.876 33.131 99.007 5.04 0.071 0.750 0.227 0.016 597.661 300.000 7.886 5 - 770000 7700.00 64.555 34.452 99.006 5.70 0.000 1.000 0.255 0.018 585.674 300.000 9.135 5 - 780000 7800.00 59.782 39.225 99.007 7.37 0.071 0.500 0.159 0.037 542.377 300.000 11.126 5 - 790000 7900.00 81.436 17.570 99.006 8.02 0.000 1.000 0.136 0.029 738.833 300.000 11.722 5 - 800000 8000.00 83.265 15.741 99.006 7.51 0.143 0.500 0.159 0.041 755.424 300.000 10.811 5 - 810000 8100.00 76.564 22.443 99.007 7.21 0.071 0.857 0.312 0.030 694.624 300.000 8.756 5 - 820000 8200.00 65.910 33.097 99.007 5.47 0.000 1.000 0.273 0.021 597.969 300.000 9.478 5 - 830000 8300.00 69.819 29.188 99.007 4.14 0.143 0.333 0.182 0.045 633.438 300.000 8.684 5 - 840000 8400.00 74.115 24.891 99.006 6.52 0.000 1.000 0.159 0.016 672.409 300.000 9.557 5 - 850000 8500.00 63.864 35.143 99.007 8.21 0.000 NaN NaN 0.037 579.408 300.000 11.015 5 - 860000 8600.00 59.557 39.451 99.008 8.44 0.000 1.000 0.303 0.034 540.331 300.000 11.160 5 - 870000 8700.00 75.549 23.457 99.007 6.33 0.000 1.000 0.258 0.025 685.424 300.000 8.277 5 - 880000 8800.00 70.389 28.618 99.007 5.72 0.143 0.714 0.227 0.027 638.607 300.000 9.646 5 - 890000 8900.00 63.960 35.048 99.008 6.87 0.071 0.667 0.152 0.052 580.276 300.000 11.383 5 - 900000 9000.00 73.419 25.588 99.007 6.78 0.143 0.600 0.164 0.039 666.093 300.000 9.420 5 - 910000 9100.00 70.832 28.175 99.007 6.85 0.071 0.750 0.148 0.024 642.627 300.000 10.588 5 - 920000 9200.00 61.983 37.024 99.007 7.25 0.000 1.000 0.258 0.048 562.343 300.000 11.148 5 - 930000 9300.00 74.532 24.474 99.006 9.43 0.000 NaN NaN 0.057 676.194 300.000 13.355 5 - 940000 9400.00 71.652 27.355 99.007 8.85 0.071 0.667 0.152 0.042 650.064 300.000 11.959 5 - 950000 9500.00 75.446 23.560 99.006 7.81 0.071 0.833 0.227 0.056 684.489 300.000 9.295 5 - 960000 9600.00 80.417 18.589 99.006 6.15 0.071 0.750 0.193 0.025 729.589 300.000 8.567 5 - 970000 9700.00 76.071 22.937 99.007 5.91 0.071 0.875 0.420 0.023 690.153 300.000 7.852 5 - 980000 9800.00 61.849 37.158 99.007 5.75 0.143 0.500 0.341 0.040 561.128 300.000 9.343 5 - 990000 9900.00 68.924 30.083 99.006 5.17 0.000 1.000 0.227 0.025 625.311 300.000 9.302 5 - 1000000 10000.00 64.808 34.199 99.007 5.64 0.071 0.667 0.182 0.043 587.970 300.000 8.996 5