Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / REMD / Nose-Hoover / ff_gab / 1L2Y_REMD_GB011.stat

diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat
new file mode 100644 (file)
index 0000000..75adc76
--- /dev/null
+++ b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB011.stat
@@ -0,0 +1,101 @@
+         0           0.00      43.968      24.569      68.538    0.000000  12.87 0.000   NaN   NaN 0.709     398.905     360.000      15.552   11 
+     10000        1000.00      37.934     -10.445      27.489   12.976757   9.22 0.071 0.000 0.182 0.992     344.157     360.000      12.878   11 
+     20000        2000.00      34.518     -11.374      23.144   43.677100   5.50 0.071 0.750 0.375 0.898     313.166     360.000       8.589   11 
+     30000        3000.00      43.274     -10.930      32.344   77.253256   5.30 0.143 0.600 0.455 0.661     392.600     360.000       7.607   11 
+     40000        4000.00      39.313     -10.830      28.483  112.330324   4.86 0.071 0.750 0.625 0.959     356.671     360.000       8.106   11 
+     50000        5000.00      47.683     -16.372      31.311  143.146720   7.67 0.143 0.333 0.136 0.962     432.604     360.000      11.269   11 
+     60000        6000.00      38.206      -1.588      36.618  184.994544   6.10 0.000 1.000 0.318 1.043     346.626     360.000      10.019   11 
+     70000        7000.00      40.080     -15.180      24.900  210.783368   7.78 0.000 1.000 0.282 0.924     363.630     360.000       9.342   11 
+     80000        8000.00      35.775      -3.610      32.165  229.467128   6.64 0.143 0.333 0.152 0.513     324.570     360.000      11.015   11 
+     90000        9000.00      33.404     -10.714      22.690  272.760431   7.23 0.071 0.800 0.264 1.353     303.059     360.000       8.746   11 
+    100000       10000.00      37.456      -9.346      28.110  315.478918   7.44 0.071 0.000 0.136 0.781     339.819     360.000      12.083   11 
+    110000       11000.00      52.174     -12.692      39.482  407.275393  10.20 0.071 0.667 0.182 1.191     473.351     400.000      13.000   11 
+    120000       12000.00      46.290       7.395      53.685  424.111804   9.82 0.000   NaN   NaN 0.969     419.969     400.000      13.138   11 
+    130000       13000.00      56.225       3.378      59.604  467.772784   6.84 0.000   NaN   NaN 1.374     510.104     400.000      12.154   11 
+    140000       14000.00      49.379      -8.113      41.266  544.632436   5.52 0.071 0.000 0.591 0.885     447.990     400.000       9.635   11 
+    150000       15000.00      46.686       5.337      52.024  581.441156   8.45 0.143 0.333 0.152 0.843     423.564     400.000      12.538   11 
+    160000       16000.00      50.249       0.065      50.315  653.897042   5.83 0.071 0.000 0.136 0.672     455.887     400.000       9.816   11 
+    170000       17000.00      39.423       2.889      42.313  674.912198  10.59 0.000 1.000 0.136 0.822     357.667     400.000      14.148   11 
+    180000       18000.00      45.629     -12.888      32.740  713.342697   5.47 0.000 1.000 0.227 1.647     413.970     400.000       9.023   11 
+    190000       19000.00      41.829      -8.888      32.941  746.762016   6.11 0.000   NaN   NaN 1.075     379.495     400.000      11.133   11 
+    200000       20000.00      37.758      -2.994      34.764  796.051647   9.14 0.000   NaN   NaN 0.534     342.558     400.000      12.760   11 
+    210000       21000.00      42.035      -5.963      36.072  833.638984   7.02 0.071 0.000 0.136 1.098     381.362     390.000      10.850   11 
+    220000       22000.00      58.173       1.082      59.254  878.755313   7.35 0.000   NaN   NaN 2.472     527.772     390.000      11.006   11 
+    230000       23000.00      34.887     -14.558      20.329  899.825411   6.49 0.000 1.000 0.205 1.244     316.513     390.000      10.825   11 
+    240000       24000.00      37.198      -5.781      31.417  974.577420   6.60 0.000 1.000 0.330 0.899     337.482     390.000       8.812   11 
+    250000       25000.00      49.573      -8.407      41.166  993.500346   9.42 0.000 1.000 0.227 0.897     449.752     390.000      13.513   11 
+    260000       26000.00      53.315     -10.220      43.095 1032.149340   6.02 0.071 0.000 0.136 1.121     483.702     390.000       8.908   11 
+    270000       27000.00      38.046     -13.783      24.263 1046.661592   6.82 0.071 0.667 0.182 0.784     345.175     390.000      11.093   11 
+    280000       28000.00      46.237      -8.050      38.187 1064.327519   5.90 0.000 1.000 0.136 0.930     419.487     390.000       7.507   11 
+    290000       29000.00      31.705      -4.687      27.019 1093.595786   5.71 0.143 0.667 0.432 0.596     287.645     390.000       8.439   11 
+    300000       30000.00      43.461       4.298      47.758 1227.344093   9.35 0.000 1.000 0.136 1.214     394.297     390.000      13.848   11 
+    310000       31000.00      38.606       1.828      40.434 1337.957951   6.70 0.000   NaN   NaN 0.848     350.256     390.000      10.583   11 
+    320000       32000.00      36.205       1.811      38.016 1393.730537   9.10 0.071 0.750 0.295 0.564     328.467     390.000      10.494   11 
+    330000       33000.00      41.987       4.999      46.987 1431.947799   7.69 0.143 0.500 0.205 0.859     380.931     390.000      11.258   11 
+    340000       34000.00      48.036      -1.013      47.023 1468.822317   7.42 0.000 1.000 0.273 0.669     435.804     390.000      11.328   11 
+    350000       35000.00      53.546       2.911      56.457 1511.384985   6.39 0.143 0.667 0.348 1.299     485.797     390.000       7.570   11 
+    360000       36000.00      36.746      -7.418      29.328 1560.695840   8.80 0.000 1.000 0.227 0.606     333.381     390.000      12.996   11 
+    370000       37000.00      45.147     -12.879      32.268 1659.615037   5.67 0.000 1.000 0.273 1.112     409.598     390.000      10.094   11 
+    380000       38000.00      47.940      -5.818      42.122 1679.206106   5.61 0.071 0.500 0.136 0.942     434.933     390.000      10.243   11 
+    390000       39000.00      45.150     -14.373      30.777 1727.027926   6.60 0.071 0.857 0.461 0.776     409.625     390.000       8.881   11 
+    400000       40000.00      47.398       4.249      51.646 1768.044604   5.70 0.000 1.000 0.409 0.554     430.015     390.000       7.054   11 
+    410000       41000.00      47.621      -9.344      38.277 1773.117952   6.87 0.143 0.750 0.216 1.243     432.040     380.000       9.039   11 
+    420000       42000.00      29.403       7.782      37.185 1860.522928   8.26 0.000 1.000 0.303 0.816     266.759     380.000      12.054   11 
+    430000       43000.00      44.832      -9.930      34.902 1883.975069   5.97 0.071 0.800 0.455 0.673     406.743     380.000       7.694   11 
+    440000       44000.00      43.226       2.139      45.365 1901.494698   7.36 0.000 1.000 0.182 0.541     392.167     380.000      11.170   11 
+    450000       45000.00      37.703       5.342      43.045 1946.274005   6.50 0.000 1.000 0.227 1.573     342.062     380.000      10.478   11 
+    460000       46000.00      41.359      -3.685      37.674 1996.754447   5.25 0.000 1.000 0.515 0.990     375.234     380.000       9.128   11 
+    470000       47000.00      59.032      -4.974      54.058 2028.336883   4.69 0.000 1.000 0.477 0.765     535.572     380.000       8.415   11 
+    480000       48000.00      34.481      -7.468      27.012 2095.857760   7.18 0.000   NaN   NaN 1.140     312.828     380.000      11.893   11 
+    490000       49000.00      42.363      -8.030      34.332 2138.121557   6.14 0.000 1.000 0.273 0.861     384.338     380.000       8.567   11 
+    500000       50000.00      49.768      -7.331      42.438 2205.180689   5.36 0.071 0.800 0.418 0.630     451.524     380.000       9.106   11 
+    510000       51000.00      35.740      -1.757      33.983 2185.796827  10.60 0.071 0.000 0.136 0.626     324.248     370.000      13.669   11 
+    520000       52000.00      41.715      -4.683      37.033 2212.072601   9.96 0.071 0.000 0.136 0.559     378.464     370.000      13.649   11 
+    530000       53000.00      37.915      -8.450      29.465 2238.110195   5.81 0.071 0.500 0.318 0.748     343.986     370.000       8.552   11 
+    540000       54000.00      41.326     -10.963      30.363 2303.617813   5.26 0.000 1.000 0.470 0.616     374.927     370.000       8.691   11 
+    550000       55000.00      38.803       1.160      39.963 2339.596290   5.85 0.000 1.000 0.364 0.785     352.043     370.000       7.972   11 
+    560000       56000.00      40.732       3.518      44.250 2344.516887  11.00 0.000   NaN   NaN 0.548     369.543     370.000      13.991   11 
+    570000       57000.00      43.150     -16.891      26.259 2359.514130   7.69 0.071 0.500 0.159 0.724     391.483     370.000      10.800   11 
+    580000       58000.00      53.129     -17.546      35.583 2423.713079   5.51 0.143 0.714 0.370 0.551     482.016     370.000       7.851   11 
+    590000       59000.00      49.495      -3.765      45.730 2477.996602   3.31 0.071 0.800 0.200 1.134     449.043     370.000       7.256   11 
+    600000       60000.00      35.508      -1.467      34.041 2532.796563   3.93 0.214 0.500 0.424 0.643     322.149     370.000       8.097   11 
+    610000       61000.00      37.706     -10.257      27.450 2499.628746   5.09 0.143 0.778 0.429 0.618     342.091     360.000       7.903   11 
+    620000       62000.00      39.946      -2.802      37.144 2522.827606   5.88 0.143 0.500 0.261 1.101     362.410     360.000       7.734   11 
+    630000       63000.00      33.981     -14.404      19.578 2553.905745   5.12 0.071 0.500 0.386 1.089     308.298     360.000       8.738   11 
+    640000       64000.00      40.194      -9.496      30.698 2580.821746   5.38 0.071 0.875 0.415 0.704     364.658     360.000       8.087   11 
+    650000       65000.00      35.746     -10.404      25.342 2648.792334   6.26 0.071 0.857 0.318 0.534     324.308     360.000       7.742   11 
+    660000       66000.00      40.612     -14.832      25.781 2676.967584   5.75 0.286 0.333 0.311 0.822     368.455     360.000       7.605   11 
+    670000       67000.00      34.447      -4.251      30.196 2692.883111   4.27 0.143 0.500 0.205 1.098     312.521     360.000       8.110   11 
+    680000       68000.00      34.643       0.150      34.793 2765.923357  10.99 0.071 0.000 0.136 0.778     314.302     360.000      14.042   11 
+    690000       69000.00      48.560      -5.898      42.662 2781.906371   9.22 0.071 0.000 0.136 1.209     440.559     360.000      11.526   11 
+    700000       70000.00      39.733     -17.998      21.735 2817.206257   4.87 0.071 0.750 0.443 0.761     360.481     360.000       8.467   11 
+    710000       71000.00      34.396     -16.810      17.587 2765.357043   4.85 0.071 0.875 0.312 0.699     312.060     350.000       7.503   11 
+    720000       72000.00      32.640      -4.693      27.947 2810.757609   4.96 0.071 0.833 0.492 0.670     296.127     350.000       7.762   11 
+    730000       73000.00      28.604     -11.616      16.988 2840.547759   7.08 0.000 1.000 0.182 0.928     259.507     350.000      10.784   11 
+    740000       74000.00      43.922     -13.045      30.877 2909.950316   6.38 0.143 0.333 0.167 0.472     398.483     350.000       9.495   11 
+    750000       75000.00      38.075     -10.597      27.478 2962.072189   5.24 0.071 0.667 0.167 0.664     345.434     350.000       9.632   11 
+    760000       76000.00      40.863      -5.435      35.428 3006.526343   6.49 0.000 1.000 0.182 1.244     370.730     350.000      10.608   11 
+    770000       77000.00      35.258      -1.622      33.636 3063.175743   6.81 0.286 0.000 0.170 0.698     319.883     350.000       9.976   11 
+    780000       78000.00      48.124     -12.417      35.707 3086.191185   9.16 0.071 0.000 0.136 0.926     436.601     350.000      13.438   11 
+    790000       79000.00      41.544     -17.051      24.493 3098.456399   7.63 0.143 0.833 0.394 0.858     376.911     350.000       7.182   11 
+    800000       80000.00      41.312      -2.322      38.990 3136.898403   7.16 0.000 1.000 0.375 0.824     374.802     350.000       8.286   11 
+    810000       81000.00      42.748      -0.347      42.400 3669.701191  11.26 0.071 0.667 0.182 0.799     387.829     400.000      15.022   11 
+    820000       82000.00      45.070      -3.416      41.654 3694.310259   8.03 0.071 0.000 0.136 0.695     408.896     400.000      12.468   11 
+    830000       83000.00      43.375       6.522      49.896 3740.174531   9.44 0.000 1.000 0.136 0.717     393.516     400.000      13.548   11 
+    840000       84000.00      34.867       2.162      37.028 3797.433184  13.29 0.000   NaN   NaN 1.145     316.329     400.000      16.555   11 
+    850000       85000.00      38.586      -7.240      31.346 3834.315691   7.91 0.000   NaN   NaN 0.794     350.069     400.000      11.571   11 
+    860000       86000.00      37.810      -3.027      34.783 3848.919364   5.90 0.000 1.000 0.182 0.396     343.035     400.000      10.830   11 
+    870000       87000.00      52.278       1.959      54.238 3896.876738   6.36 0.000 1.000 0.333 1.097     474.295     400.000       9.537   11 
+    880000       88000.00      57.226      -4.414      52.813 3930.599986   8.09 0.000 1.000 0.455 0.762     519.186     400.000      10.543   11 
+    890000       89000.00      40.231     -18.169      22.061 3998.275265   5.78 0.143 0.600 0.164 0.810     364.992     400.000       7.742   11 
+    900000       90000.00      47.590      -8.664      38.926 4035.001238   9.00 0.071 0.000 0.182 1.086     431.762     400.000      11.405   11 
+    910000       91000.00      39.764       7.996      47.760 4011.837167  11.36 0.071 0.000 0.136 0.656     360.760     390.000      14.527   11 
+    920000       92000.00      46.657      -1.976      44.681 4061.549756   7.85 0.071 0.750 0.170 1.930     423.298     390.000      10.602   11 
+    930000       93000.00      31.665       3.747      35.412 4114.432238   7.74 0.071 0.667 0.212 1.826     287.285     390.000       9.561   11 
+    940000       94000.00      48.391       3.358      51.749 4147.519191   8.00 0.000   NaN   NaN 0.958     439.026     390.000      12.607   11 
+    950000       95000.00      42.801      -2.887      39.914 4171.280351   6.20 0.000 1.000 0.273 0.679     388.309     390.000      10.234   11 
+    960000       96000.00      42.129     -11.617      30.512 4263.147222   6.39 0.071 0.800 0.255 0.746     382.213     390.000       8.451   11 
+    970000       97000.00      45.148     -12.235      32.913 4334.591752   8.43 0.071 0.750 0.193 0.884     409.605     390.000      11.177   11 
+    980000       98000.00      43.401     -11.493      31.908 4379.895503   8.02 0.143 0.500 0.216 0.772     393.760     390.000       9.501   11 
+    990000       99000.00      32.495       6.583      39.078 4421.572845   6.86 0.000 1.000 0.341 1.389     294.809     390.000       9.768   11 
+   1000000      100000.00      29.426      -7.592      21.835 4470.396904   8.56 0.000 1.000 0.227 0.890     266.971     390.000      11.637   11