X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2F1L2Y_micro_GB004.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2F1L2Y_micro_GB004.stat;h=0000000000000000000000000000000000000000;hp=3f61527f5a2ef961b19c43dcb42730088d0275b2;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat deleted file mode 100644 index 3f61527..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_GB004.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 27.807 -51.451 -23.644 2.26 0.786 0.476 0.357 0.199 252.275 300.000 6.690 4 - 10000 100.00 21.648 -45.291 -23.643 2.27 0.714 0.444 0.255 0.042 196.405 300.000 6.653 4 - 20000 200.00 22.135 -45.777 -23.642 2.41 0.500 0.462 0.322 0.060 200.821 300.000 6.730 4 - 30000 300.00 23.888 -47.530 -23.642 1.67 0.714 0.333 0.288 0.043 216.725 300.000 6.953 4 - 40000 400.00 24.784 -48.427 -23.643 2.20 0.500 0.562 0.384 0.073 224.855 300.000 6.502 4 - 50000 500.00 23.070 -46.713 -23.643 2.06 0.500 0.500 0.312 0.055 209.303 300.000 6.522 4 - 60000 600.00 26.917 -50.560 -23.643 1.99 0.571 0.600 0.298 0.054 244.206 300.000 6.447 4 - 70000 700.00 26.705 -50.348 -23.642 1.97 0.429 0.500 0.292 0.075 242.285 300.000 6.564 4 - 80000 800.00 23.710 -47.350 -23.640 2.47 0.643 0.500 0.268 0.041 215.107 300.000 6.752 4 - 90000 900.00 27.427 -51.067 -23.640 1.87 0.429 0.500 0.333 0.059 248.829 300.000 6.852 4 - 100000 1000.00 26.970 -50.612 -23.641 2.32 0.714 0.286 0.221 0.078 244.687 300.000 6.483 4 - 110000 1100.00 34.051 -57.693 -23.642 3.17 0.429 0.625 0.321 0.066 308.929 300.000 6.729 4 - 120000 1200.00 25.476 -49.117 -23.640 2.98 0.429 0.625 0.216 0.047 231.135 300.000 6.861 4 - 130000 1300.00 25.937 -49.576 -23.639 3.44 0.429 0.600 0.227 0.061 235.314 300.000 6.620 4 - 140000 1400.00 24.504 -48.146 -23.642 3.11 0.500 0.632 0.289 0.070 222.310 300.000 6.599 4 - 150000 1500.00 24.543 -48.186 -23.642 3.65 0.214 0.700 0.223 0.089 222.671 300.000 7.057 4 - 160000 1600.00 21.448 -45.088 -23.639 2.82 0.357 0.615 0.210 0.069 194.588 300.000 6.889 4 - 170000 1700.00 23.902 -47.541 -23.639 3.25 0.500 0.588 0.262 0.049 216.852 300.000 6.708 4 - 180000 1800.00 25.940 -49.581 -23.641 2.35 0.357 0.615 0.350 0.037 235.341 300.000 6.688 4 - 190000 1900.00 24.086 -47.727 -23.642 3.16 0.429 0.500 0.223 0.086 218.519 300.000 6.868 4 - 200000 2000.00 24.986 -48.627 -23.641 3.59 0.214 0.750 0.326 0.092 226.686 300.000 6.835 4 - 210000 2100.00 24.322 -47.964 -23.642 3.82 0.286 0.692 0.262 0.053 220.662 300.000 6.973 4 - 220000 2200.00 25.555 -49.196 -23.641 3.64 0.286 0.765 0.289 0.067 231.848 300.000 6.823 4 - 230000 2300.00 30.081 -53.724 -23.643 3.09 0.500 0.533 0.294 0.050 272.908 300.000 6.849 4 - 240000 2400.00 31.282 -54.924 -23.642 3.87 0.143 0.857 0.299 0.037 283.807 300.000 6.683 4 - 250000 2500.00 24.324 -47.966 -23.642 3.11 0.429 0.571 0.367 0.072 220.679 300.000 6.869 4 - 260000 2600.00 29.743 -53.386 -23.643 3.18 0.357 0.667 0.318 0.053 269.848 300.000 6.589 4 - 270000 2700.00 25.992 -49.634 -23.642 3.58 0.429 0.647 0.334 0.048 235.813 300.000 6.581 4 - 280000 2800.00 21.118 -44.760 -23.642 2.99 0.500 0.462 0.301 0.048 191.592 300.000 6.820 4 - 290000 2900.00 24.606 -48.248 -23.643 4.17 0.286 0.714 0.409 0.118 223.235 300.000 6.469 4 - 300000 3000.00 32.962 -56.604 -23.642 3.60 0.429 0.600 0.324 0.078 299.051 300.000 6.403 4 - 310000 3100.00 23.567 -47.208 -23.641 4.10 0.286 0.765 0.358 0.070 213.809 300.000 6.729 4 - 320000 3200.00 24.017 -47.658 -23.641 3.50 0.286 0.692 0.311 0.030 217.895 300.000 6.504 4 - 330000 3300.00 30.427 -54.069 -23.642 3.95 0.214 0.800 0.336 0.073 276.051 300.000 6.478 4 - 340000 3400.00 26.008 -49.650 -23.642 4.69 0.286 0.778 0.333 0.073 235.958 300.000 6.892 4 - 350000 3500.00 33.079 -56.720 -23.642 4.96 0.357 0.722 0.386 0.067 300.106 300.000 6.604 4 - 360000 3600.00 28.717 -52.358 -23.641 4.75 0.214 0.800 0.394 0.103 260.531 300.000 6.678 4 - 370000 3700.00 26.658 -50.299 -23.641 3.93 0.286 0.765 0.412 0.059 241.852 300.000 6.504 4 - 380000 3800.00 29.050 -52.690 -23.640 3.86 0.286 0.636 0.310 0.060 263.557 300.000 6.900 4 - 390000 3900.00 27.280 -50.922 -23.641 4.30 0.357 0.667 0.312 0.064 247.500 300.000 6.543 4 - 400000 4000.00 25.467 -49.110 -23.643 4.51 0.357 0.615 0.311 0.071 231.051 300.000 6.787 4 - 410000 4100.00 29.858 -53.501 -23.643 4.57 0.357 0.706 0.404 0.053 270.887 300.000 6.757 4 - 420000 4200.00 29.935 -53.579 -23.644 4.63 0.286 0.714 0.328 0.087 271.586 300.000 6.791 4 - 430000 4300.00 26.255 -49.897 -23.642 4.01 0.286 0.667 0.386 0.122 238.197 300.000 6.818 4 - 440000 4400.00 24.783 -48.424 -23.641 4.13 0.429 0.625 0.406 0.072 224.841 300.000 6.591 4 - 450000 4500.00 27.419 -51.061 -23.642 3.79 0.429 0.571 0.266 0.049 248.763 300.000 6.571 4 - 460000 4600.00 29.444 -53.087 -23.644 4.12 0.286 0.600 0.364 0.067 267.130 300.000 6.664 4 - 470000 4700.00 28.322 -51.963 -23.641 4.05 0.286 0.636 0.413 0.077 256.949 300.000 6.809 4 - 480000 4800.00 26.102 -49.744 -23.641 3.74 0.286 0.667 0.360 0.077 236.813 300.000 6.917 4 - 490000 4900.00 25.157 -48.797 -23.641 3.65 0.286 0.714 0.321 0.066 228.233 300.000 6.890 4 - 500000 5000.00 27.499 -51.141 -23.642 2.72 0.357 0.500 0.382 0.063 249.485 300.000 6.960 4 - 510000 5100.00 26.815 -50.456 -23.641 3.54 0.357 0.688 0.366 0.052 243.279 300.000 6.618 4 - 520000 5200.00 23.529 -47.170 -23.640 3.96 0.429 0.647 0.241 0.071 213.471 300.000 6.538 4 - 530000 5300.00 31.034 -54.678 -23.644 3.42 0.500 0.562 0.261 0.064 281.561 300.000 6.536 4 - 540000 5400.00 26.052 -49.694 -23.642 3.89 0.286 0.636 0.264 0.048 236.361 300.000 6.836 4 - 550000 5500.00 29.554 -53.196 -23.643 3.27 0.357 0.615 0.325 0.073 268.126 300.000 6.573 4 - 560000 5600.00 20.570 -44.210 -23.640 2.79 0.286 0.556 0.288 0.075 186.622 300.000 6.751 4 - 570000 5700.00 27.616 -51.258 -23.642 3.05 0.571 0.467 0.306 0.042 250.550 300.000 7.001 4 - 580000 5800.00 23.268 -46.909 -23.640 3.29 0.571 0.579 0.297 0.043 211.104 300.000 6.399 4 - 590000 5900.00 27.172 -50.813 -23.641 2.85 0.429 0.500 0.261 0.050 246.520 300.000 6.660 4 - 600000 6000.00 33.994 -57.636 -23.642 3.63 0.500 0.632 0.292 0.051 308.409 300.000 6.476 4 - 610000 6100.00 26.390 -50.031 -23.641 3.24 0.429 0.571 0.331 0.061 239.424 300.000 6.775 4 - 620000 6200.00 22.988 -46.629 -23.641 3.25 0.429 0.600 0.297 0.046 208.560 300.000 6.675 4 - 630000 6300.00 23.277 -46.917 -23.640 3.91 0.429 0.625 0.312 0.034 211.184 300.000 6.695 4 - 640000 6400.00 29.090 -52.732 -23.642 2.91 0.500 0.417 0.239 0.092 263.923 300.000 6.331 4 - 650000 6500.00 24.019 -47.661 -23.642 3.74 0.357 0.643 0.286 0.060 217.917 300.000 6.593 4 - 660000 6600.00 27.022 -50.662 -23.640 2.97 0.286 0.714 0.312 0.075 245.154 300.000 6.420 4 - 670000 6700.00 24.252 -47.894 -23.642 2.97 0.357 0.667 0.327 0.066 220.031 300.000 6.671 4 - 680000 6800.00 22.526 -46.167 -23.641 3.50 0.286 0.636 0.384 0.066 204.368 300.000 6.801 4 - 690000 6900.00 26.676 -50.318 -23.642 3.64 0.286 0.714 0.403 0.081 242.020 300.000 6.652 4 - 700000 7000.00 28.813 -52.455 -23.642 3.04 0.500 0.562 0.312 0.086 261.405 300.000 6.378 4 - 710000 7100.00 22.109 -45.750 -23.641 3.30 0.500 0.611 0.306 0.056 200.588 300.000 6.347 4 - 720000 7200.00 25.030 -48.671 -23.641 3.09 0.357 0.688 0.349 0.055 227.084 300.000 6.737 4 - 730000 7300.00 24.545 -48.186 -23.641 2.97 0.571 0.529 0.299 0.050 222.684 300.000 6.876 4 - 740000 7400.00 25.825 -49.467 -23.641 2.79 0.429 0.571 0.299 0.051 234.300 300.000 6.700 4 - 750000 7500.00 28.213 -51.855 -23.642 3.37 0.357 0.667 0.361 0.059 255.962 300.000 6.554 4 - 760000 7600.00 23.961 -47.602 -23.641 2.89 0.500 0.500 0.282 0.034 217.386 300.000 6.739 4 - 770000 7700.00 23.627 -47.268 -23.642 3.21 0.571 0.529 0.332 0.098 214.354 300.000 6.456 4 - 780000 7800.00 28.511 -52.153 -23.641 2.70 0.357 0.667 0.312 0.066 258.670 300.000 6.818 4 - 790000 7900.00 27.577 -51.221 -23.643 3.87 0.429 0.625 0.341 0.072 250.196 300.000 6.312 4 - 800000 8000.00 22.515 -46.156 -23.641 3.39 0.500 0.588 0.329 0.104 204.264 300.000 6.446 4 - 810000 8100.00 23.655 -47.296 -23.641 3.39 0.286 0.636 0.310 0.077 214.609 300.000 6.639 4 - 820000 8200.00 26.130 -49.772 -23.642 3.11 0.429 0.571 0.325 0.047 237.062 300.000 6.719 4 - 830000 8300.00 22.221 -45.861 -23.640 3.19 0.357 0.667 0.370 0.037 201.603 300.000 6.506 4 - 840000 8400.00 25.700 -49.341 -23.640 3.52 0.357 0.706 0.326 0.034 233.168 300.000 6.569 4 - 850000 8500.00 29.186 -52.828 -23.642 3.49 0.286 0.714 0.357 0.088 264.790 300.000 6.476 4 - 860000 8600.00 23.063 -46.703 -23.640 3.35 0.357 0.737 0.390 0.059 209.237 300.000 6.439 4 - 870000 8700.00 25.876 -49.519 -23.643 2.89 0.357 0.688 0.352 0.049 234.759 300.000 6.649 4 - 880000 8800.00 17.392 -41.031 -23.639 2.64 0.286 0.714 0.338 0.021 157.788 300.000 6.989 4 - 890000 8900.00 26.368 -50.009 -23.641 3.25 0.357 0.667 0.397 0.055 239.228 300.000 6.536 4 - 900000 9000.00 27.157 -50.799 -23.642 3.14 0.571 0.529 0.337 0.047 246.385 300.000 6.606 4 - 910000 9100.00 27.048 -50.690 -23.642 3.09 0.214 0.727 0.269 0.048 245.397 300.000 6.947 4 - 920000 9200.00 27.629 -51.270 -23.641 3.19 0.357 0.643 0.315 0.058 250.666 300.000 6.951 4 - 930000 9300.00 21.467 -45.108 -23.641 3.37 0.286 0.667 0.292 0.040 194.762 300.000 6.859 4 - 940000 9400.00 23.689 -47.329 -23.640 3.03 0.357 0.667 0.364 0.051 214.920 300.000 6.705 4 - 950000 9500.00 27.033 -50.674 -23.641 3.56 0.214 0.727 0.339 0.042 245.255 300.000 6.784 4 - 960000 9600.00 23.300 -46.939 -23.639 2.96 0.357 0.643 0.338 0.066 211.392 300.000 6.553 4 - 970000 9700.00 25.112 -48.752 -23.641 3.27 0.357 0.643 0.344 0.036 227.825 300.000 6.804 4 - 980000 9800.00 26.281 -49.924 -23.642 3.53 0.429 0.600 0.352 0.051 238.439 300.000 6.641 4 - 990000 9900.00 25.430 -49.072 -23.641 3.52 0.286 0.750 0.384 0.085 230.718 300.000 6.489 4 - 1000000 10000.00 25.049 -48.690 -23.641 2.98 0.357 0.615 0.353 0.054 227.255 300.000 6.890 4