Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / REMD / Nose-Hoover / ff_gab / 1L2Y_REMD_GB013.stat

diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat
new file mode 100644 (file)
index 0000000..20bf726
--- /dev/null
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB013.stat
@@ -0,0 +1,101 @@
+         0           0.00      37.698      24.549      62.247    0.000000  12.87 0.000   NaN   NaN 0.712     342.015     380.000      15.552   13 
+     10000        1000.00      41.072     -10.256      30.816  129.880349  11.80 0.000   NaN   NaN 0.554     372.624     380.000      15.220   13 
+     20000        2000.00      26.375      -4.896      21.479  175.928781   7.40 0.000 1.000 0.500 0.731     239.290     380.000       9.768   13 
+     30000        3000.00      28.463      -4.892      23.571  202.090257   5.35 0.071 0.500 0.182 0.907     258.229     380.000       8.941   13 
+     40000        4000.00      38.801      -8.135      30.666  224.762713   7.45 0.071 0.667 0.167 0.657     352.025     380.000      11.992   13 
+     50000        5000.00      43.925      -9.072      34.854  245.198849   5.50 0.071 0.667 0.318 0.852     398.512     380.000       9.533   13 
+     60000        6000.00      48.973       4.389      53.363  266.980674   5.36 0.071 0.000 0.227 0.845     444.312     380.000       9.645   13 
+     70000        7000.00      37.543       0.473      38.017  300.005645   6.34 0.071 0.750 0.534 0.581     340.612     380.000       8.929   13 
+     80000        8000.00      44.701      -5.351      39.350  331.454727   5.67 0.000 1.000 0.382 0.757     405.548     380.000       8.044   13 
+     90000        9000.00      48.779       2.121      50.899  349.707783   9.27 0.000   NaN   NaN 1.064     442.545     380.000      13.042   13 
+    100000       10000.00      37.810      -3.556      34.254  430.050439  10.00 0.071 0.000 0.136 0.962     343.035     380.000      13.342   13 
+    110000       11000.00      36.505       4.751      41.256  444.543522   6.76 0.143 0.333 0.182 0.531     331.191     370.000      10.596   13 
+    120000       12000.00      55.633      -0.842      54.790  477.236941   8.29 0.000   NaN   NaN 0.789     504.727     370.000      13.218   13 
+    130000       13000.00      34.846      -3.563      31.283  506.893434   4.25 0.214 0.250 0.330 0.591     316.145     370.000       8.284   13 
+    140000       14000.00      39.576      -4.590      34.986  560.544769   5.32 0.143 0.333 0.152 1.352     359.049     370.000       9.064   13 
+    150000       15000.00      34.393      -5.954      28.439  576.361972   5.85 0.214 0.000 0.152 1.054     312.028     370.000       8.338   13 
+    160000       16000.00      44.337      -5.328      39.009  627.599332   5.37 0.143 0.500 0.307 0.917     402.248     370.000       9.389   13 
+    170000       17000.00      28.399      -9.675      18.724  673.876135   6.25 0.071 0.000 0.182 0.671     257.651     370.000       9.361   13 
+    180000       18000.00      49.461       2.889      52.350  705.159744   6.58 0.000 1.000 0.182 1.072     448.734     370.000      10.286   13 
+    190000       19000.00      41.109      -5.149      35.960  794.888388  12.97 0.000   NaN   NaN 1.096     372.962     370.000      16.928   13 
+    200000       20000.00      40.232      -2.370      37.862  845.271734   6.43 0.071 0.667 0.136 1.389     365.008     370.000      10.442   13 
+    210000       21000.00      52.996     -12.739      40.258  965.374179   6.16 0.071 0.750 0.409 0.565     480.811     400.000       8.961   13 
+    220000       22000.00      44.457     -10.240      34.217  998.486691   5.58 0.071 0.500 0.318 0.632     403.335     400.000       8.629   13 
+    230000       23000.00      35.097     -18.344      16.753 1054.205505   5.62 0.143 0.714 0.240 1.364     318.419     400.000       7.193   13 
+    240000       24000.00      38.200      -3.852      34.348 1084.484906   7.36 0.000 1.000 0.426 0.433     346.568     400.000       7.662   13 
+    250000       25000.00      43.455       0.973      44.427 1121.728241   5.13 0.000   NaN   NaN 0.659     394.245     400.000       9.816   13 
+    260000       26000.00      44.712      -7.638      37.074 1156.355364   5.18 0.000   NaN   NaN 0.465     405.651     400.000       9.740   13 
+    270000       27000.00      38.043      -2.238      35.805 1242.962296   5.33 0.000 1.000 0.443 1.219     345.146     400.000       8.682   13 
+    280000       28000.00      53.792       1.827      55.619 1272.423793   9.42 0.000   NaN   NaN 0.873     488.025     400.000      13.637   13 
+    290000       29000.00      39.756      -7.658      32.097 1323.823853   7.41 0.143 0.333 0.182 0.573     360.683     400.000      11.536   13 
+    300000       30000.00      49.269       5.013      54.282 1362.576039  11.11 0.071 0.000 0.136 1.047     446.997     400.000      13.564   13 
+    310000       31000.00      38.649      -6.759      31.890 1431.489627  10.85 0.000   NaN   NaN 0.589     350.642     400.000      13.803   13 
+    320000       32000.00      52.018       1.050      53.068 1463.516037   6.87 0.143 0.000 0.159 0.989     471.931     400.000       9.959   13 
+    330000       33000.00      50.950      -2.674      48.276 1499.596642   5.32 0.000 1.000 0.159 0.604     462.241     400.000       8.933   13 
+    340000       34000.00      47.900      13.141      61.042 1537.447409  10.34 0.000   NaN   NaN 1.379     434.575     400.000      14.642   13 
+    350000       35000.00      40.975      -4.620      36.355 1581.195100   6.13 0.071 0.000 0.182 1.224     371.749     400.000      10.231   13 
+    360000       36000.00      41.377       0.498      41.876 1617.487867   7.66 0.000   NaN   NaN 0.799     375.397     400.000      11.111   13 
+    370000       37000.00      40.729       6.602      47.331 1664.572066   5.72 0.214 0.250 0.159 0.524     369.511     400.000       9.514   13 
+    380000       38000.00      44.113      -8.395      35.718 1695.926234   7.02 0.071 0.750 0.295 0.552     400.214     400.000       9.327   13 
+    390000       39000.00      47.802       1.669      49.471 1746.955734  10.00 0.071 0.000 0.136 0.804     433.683     400.000      13.450   13 
+    400000       40000.00      45.771      -0.020      45.751 1843.694468   5.01 0.071 0.667 0.182 2.080     415.257     400.000      10.079   13 
+    410000       41000.00      48.883      -2.846      46.037 1834.505641   8.38 0.071 0.750 0.182 0.654     443.496     390.000      10.135   13 
+    420000       42000.00      38.769       1.081      39.850 1845.342256   6.34 0.000 1.000 0.205 1.123     351.728     390.000      10.070   13 
+    430000       43000.00      38.632     -17.914      20.718 1868.404662   5.51 0.071 0.800 0.364 1.071     350.487     390.000       8.756   13 
+    440000       44000.00      40.997       2.063      43.060 1919.896570   5.81 0.000 1.000 0.182 0.537     371.944     390.000      10.303   13 
+    450000       45000.00      45.942      -5.198      40.744 1939.762455   7.28 0.000 1.000 0.409 0.413     416.809     390.000      11.898   13 
+    460000       46000.00      48.790       4.408      53.198 2017.590303   5.43 0.071 0.500 0.636 1.306     442.652     390.000       9.063   13 
+    470000       47000.00      43.981      -8.198      35.783 2037.343714   6.56 0.000 1.000 0.182 1.059     399.022     390.000      10.574   13 
+    480000       48000.00      32.403       1.043      33.446 2051.633581   3.68 0.000 1.000 0.386 0.613     293.977     390.000       8.685   13 
+    490000       49000.00      40.343      -5.287      35.056 2074.413437   6.41 0.000 1.000 0.250 0.539     366.012     390.000       9.600   13 
+    500000       50000.00      36.809      -5.282      31.527 2149.076364  11.11 0.000   NaN   NaN 0.541     333.948     390.000      14.194   13 
+    510000       51000.00      39.183      -5.143      34.040 2235.057595   7.08 0.071 0.750 0.216 0.584     355.489     400.000       8.728   13 
+    520000       52000.00      37.860      -2.187      35.672 2303.721477   6.62 0.071 0.500 0.205 1.071     343.485     400.000      10.105   13 
+    530000       53000.00      54.162      -0.775      53.388 2368.020875  11.32 0.071 0.750 0.148 0.755     491.389     400.000      13.813   13 
+    540000       54000.00      38.528       1.022      39.550 2405.180438   5.89 0.000   NaN   NaN 0.702     349.544     400.000      10.730   13 
+    550000       55000.00      39.625       2.694      42.319 2441.272521   7.18 0.000   NaN   NaN 0.504     359.502     400.000      11.619   13 
+    560000       56000.00      42.858      -5.047      37.811 2480.117981   7.31 0.143 0.500 0.148 0.949     388.830     400.000       9.923   13 
+    570000       57000.00      53.803      -3.832      49.971 2531.405150   7.72 0.071 0.500 0.227 0.533     488.128     400.000      12.025   13 
+    580000       58000.00      50.313     -19.195      31.119 2567.317774   5.62 0.214 0.625 0.278 0.621     456.469     400.000       7.413   13 
+    590000       59000.00      45.978       0.661      46.639 2638.393298   6.82 0.000   NaN   NaN 0.653     417.136     400.000      12.218   13 
+    600000       60000.00      34.589      -9.912      24.677 2647.857083   7.93 0.214 0.571 0.247 1.014     313.806     400.000      10.073   13 
+    610000       61000.00      35.515     -11.240      24.275 2658.698929   6.51 0.143 0.500 0.216 1.376     322.214     390.000       9.728   13 
+    620000       62000.00      42.481      -3.094      39.387 2674.637472   8.02 0.000   NaN   NaN 0.901     385.412     390.000      12.181   13 
+    630000       63000.00      42.149      -3.184      38.965 2717.393604   6.84 0.000 1.000 0.455 1.180     382.401     390.000       9.911   13 
+    640000       64000.00      39.597       3.124      42.721 2734.008610   7.82 0.000 1.000 0.273 0.395     359.248     390.000      10.907   13 
+    650000       65000.00      48.709       3.492      52.201 2786.740784   6.20 0.214 0.500 0.265 0.730     441.915     390.000       9.570   13 
+    660000       66000.00      37.992       3.310      41.302 2848.464898   7.85 0.000 1.000 0.159 1.000     344.679     390.000       9.882   13 
+    670000       67000.00      44.729       3.190      47.918 2883.398420   4.98 0.071 0.750 0.625 1.852     405.800     390.000       8.969   13 
+    680000       68000.00      37.506       3.392      40.899 2919.526137   7.79 0.071 0.000 0.136 0.558     340.276     390.000       9.177   13 
+    690000       69000.00      36.471      -4.622      31.849 2957.925404   6.03 0.071 0.667 0.333 0.741     330.888     390.000       9.274   13 
+    700000       70000.00      45.154      -0.249      44.905 2991.277445   6.06 0.071 0.750 0.182 0.952     409.663     390.000       7.951   13 
+    710000       71000.00      39.282     -11.839      27.443 2933.728054   7.98 0.000   NaN   NaN 0.824     356.384     380.000      11.919   13 
+    720000       72000.00      40.967      -2.776      38.191 2961.658329   5.48 0.000 1.000 0.136 0.630     371.672     380.000      10.429   13 
+    730000       73000.00      40.218      -8.298      31.920 2991.142417   5.10 0.071 0.500 0.205 0.425     364.881     380.000       9.862   13 
+    740000       74000.00      42.986      -9.933      33.053 3002.065613   5.97 0.143 0.667 0.508 0.838     389.992     380.000       8.110   13 
+    750000       75000.00      40.062      -6.699      33.363 3071.665092   6.12 0.000 1.000 0.182 0.765     363.461     380.000      10.289   13 
+    760000       76000.00      32.632      -8.158      24.474 3093.943200   6.65 0.071 0.800 0.373 0.820     296.056     380.000       8.095   13 
+    770000       77000.00      42.002     -21.109      20.892 3135.903685   4.81 0.071 0.667 0.379 0.954     381.059     380.000       9.372   13 
+    780000       78000.00      33.415      -3.365      30.050 3157.329013   6.33 0.143 0.750 0.324 0.884     303.157     380.000       7.931   13 
+    790000       79000.00      39.089      -4.329      34.759 3188.502061   5.36 0.000 1.000 0.273 0.648     354.633     380.000       8.897   13 
+    800000       80000.00      39.477     -13.368      26.109 3214.956472   5.19 0.071 0.000 0.727 0.335     358.156     380.000       9.945   13 
+    810000       81000.00      39.403     -18.645      20.757 3153.615220   5.35 0.143 0.600 0.545 1.370     357.481     370.000       8.728   13 
+    820000       82000.00      42.702     -13.068      29.634 3182.145137   4.99 0.143 0.500 0.466 1.141     387.416     370.000       8.024   13 
+    830000       83000.00      38.501      -7.590      30.911 3277.067346   4.76 0.071 0.800 0.445 0.558     349.298     370.000       7.871   13 
+    840000       84000.00      39.620      -1.134      38.486 3367.707827   5.85 0.000 1.000 0.227 0.874     359.454     370.000       9.786   13 
+    850000       85000.00      36.381      -4.743      31.638 3408.149850  10.62 0.000   NaN   NaN 0.893     330.070     370.000      13.710   13 
+    860000       86000.00      37.596     -11.839      25.756 3443.738575   8.78 0.071 0.500 0.182 1.120     341.086     370.000      12.324   13 
+    870000       87000.00      43.151     -20.290      22.861 3460.552055   4.15 0.143 0.800 0.445 1.054     391.485     370.000       7.394   13 
+    880000       88000.00      52.742      11.663      64.405 3478.335701   6.26 0.071 0.667 0.409 0.886     478.501     370.000       8.542   13 
+    890000       89000.00      34.630      -9.920      24.710 3533.612488   7.53 0.000 1.000 0.227 0.673     314.182     370.000      11.560   13 
+    900000       90000.00      43.059     -15.292      27.767 3611.144513   5.28 0.071 0.800 0.373 1.975     390.653     370.000       9.362   13 
+    910000       91000.00      42.396     -14.246      28.150 3544.888856   5.18 0.357 0.444 0.485 1.044     384.638     360.000       8.337   13 
+    920000       92000.00      37.073      -9.886      27.188 3576.259360   6.04 0.143 0.600 0.418 0.946     336.350     360.000       8.324   13 
+    930000       93000.00      40.855      -9.215      31.639 3632.945791   7.02 0.071 0.750 0.159 0.913     370.653     360.000      10.849   13 
+    940000       94000.00      39.856      -4.004      35.851 3659.088990  11.56 0.071 0.000 0.136 0.480     361.591     360.000      15.118   13 
+    950000       95000.00      35.527      -7.830      27.697 3698.508697   8.70 0.143 0.000 0.159 0.503     322.320     360.000      10.997   13 
+    960000       96000.00      33.109     -13.665      19.444 3746.617534   5.36 0.143 0.714 0.370 0.672     300.383     360.000       8.448   13 
+    970000       97000.00      36.970      -9.570      27.400 3783.532661   5.03 0.000 1.000 0.280 1.139     335.409     360.000       7.660   13 
+    980000       98000.00      36.080      -4.248      31.832 3854.924605   5.60 0.071 0.000 0.136 0.799     327.338     360.000       9.872   13 
+    990000       99000.00      42.687      -5.767      36.920 3887.374669   5.31 0.000 1.000 0.182 0.517     387.278     360.000       9.276   13 
+   1000000      100000.00      28.785     -15.133      13.651 3906.462561   5.83 0.071 0.833 0.621 0.459     261.150     360.000       9.421   13