Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / REMD / Berendsen / ff_gab / 1L2Y_REMD_GB011.stat

diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
new file mode 100644 (file)
index 0000000..9c325df
--- /dev/null
+++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB011.stat
@@ -0,0 +1,101 @@
+         0           0.00      43.968      24.569      68.538  12.87 0.000   NaN   NaN 0.709     398.905     360.000      15.552   11 
+     10000        2000.00      36.663      -0.320      36.343   8.17 0.000 1.000 0.182 0.694     332.626     360.000      12.166   11 
+     20000        4000.00      36.806      -1.514      35.291  11.67 0.000   NaN   NaN 2.861     333.919     360.000      14.867   11 
+     30000        6000.00      37.122     -12.609      24.513   7.95 0.000 1.000 0.136 2.272     336.791     360.000      10.863   11 
+     40000        8000.00      43.717      -0.315      43.401   5.84 0.143 0.667 0.326 1.385     396.620     360.000       7.222   11 
+     50000       10000.00      30.811      -3.266      27.545   7.50 0.000 1.000 0.432 3.485     279.538     360.000       8.868   11 
+     60000       12000.00      37.267     -18.678      18.590   6.16 0.071 0.857 0.286 1.015     338.108     360.000       8.619   11 
+     70000       14000.00      35.611       0.786      36.397   9.39 0.000 1.000 0.227 1.375     323.082     360.000      12.500   11 
+     80000       16000.00      40.904      -8.212      32.692   5.36 0.000 1.000 0.555 1.110     371.107     360.000       8.591   11 
+     90000       18000.00      37.541       3.646      41.187   9.26 0.071 0.000 0.136 1.377     340.593     360.000      12.192   11 
+    100000       20000.00      36.383      -1.421      34.962   5.01 0.143 0.667 0.409 1.191     330.081     360.000       8.828   11 
+    110000       22000.00      33.628      -5.082      28.547   7.29 0.071 0.000 0.136 0.984     305.095     350.000      12.248   11 
+    120000       24000.00      31.514      -0.382      31.131   5.00 0.000 1.000 0.318 2.513     285.909     350.000       8.962   11 
+    130000       26000.00      31.507      -0.097      31.410   7.97 0.000   NaN   NaN 2.137     285.847     350.000      10.988   11 
+    140000       28000.00      31.845       7.825      39.670   5.56 0.000   NaN   NaN 2.451     288.911     350.000      10.524   11 
+    150000       30000.00      23.759      -5.149      18.610   5.16 0.071 0.750 0.443 1.629     215.551     350.000       8.327   11 
+    160000       32000.00      31.141      -5.893      25.248   9.26 0.000 1.000 0.250 1.728     282.523     350.000      11.449   11 
+    170000       34000.00      33.516       1.258      34.774   6.23 0.000   NaN   NaN 1.431     304.076     350.000      10.033   11 
+    180000       36000.00      28.317      -0.283      28.034   6.74 0.071 0.000 0.136 1.271     256.903     350.000       8.740   11 
+    190000       38000.00      30.394      -4.367      26.027   6.14 0.000 1.000 0.182 1.102     275.746     350.000       8.760   11 
+    200000       40000.00      28.200      -1.293      26.906   6.16 0.000 1.000 0.227 1.951     255.841     350.000       9.455   11 
+    210000       42000.00      30.673       0.874      31.546   5.60 0.143 0.600 0.364 1.564     278.280     340.000       9.431   11 
+    220000       44000.00      31.007     -28.144       2.864   5.08 0.143 0.750 0.250 0.800     281.314     340.000       7.141   11 
+    230000       46000.00      39.415     -14.373      25.042   7.12 0.143 0.750 0.244 2.489     357.590     340.000       7.588   11 
+    240000       48000.00      38.650     -26.150      12.500   6.29 0.071 0.875 0.307 1.873     350.653     340.000       7.038   11 
+    250000       50000.00      34.777     -11.137      23.640   9.02 0.071 0.667 0.182 1.359     315.515     340.000      12.772   11 
+    260000       52000.00      30.300      -6.290      24.010   6.16 0.071 0.833 0.538 2.373     274.893     340.000       7.629   11 
+    270000       54000.00      37.787      -7.380      30.407   7.18 0.071 0.750 0.420 3.255     342.820     340.000       8.067   11 
+    280000       56000.00      35.958      -3.771      32.188   7.78 0.000 1.000 0.136 2.788     326.231     340.000      11.425   11 
+    290000       58000.00      31.730      -4.092      27.639   8.35 0.143 0.000 0.136 0.995     287.874     340.000      12.083   11 
+    300000       60000.00      26.085      -3.863      22.222   6.22 0.000 1.000 0.591 1.791     236.654     340.000       7.892   11 
+    310000       62000.00      41.932      -8.532      33.400   6.31 0.071 0.875 0.301 1.712     380.426     340.000       8.302   11 
+    320000       64000.00      35.016       4.174      39.190   5.43 0.071 0.500 0.136 3.554     317.686     340.000       8.312   11 
+    330000       66000.00      31.329     -22.281       9.048   4.20 0.214 0.400 0.364 1.696     284.230     340.000       7.713   11 
+    340000       68000.00      46.926      -0.966      45.961   7.28 0.000 1.000 0.136 1.811     425.741     340.000      12.403   11 
+    350000       70000.00      34.098     -11.847      22.250   5.57 0.000 1.000 0.216 1.607     309.351     340.000       8.425   11 
+    360000       72000.00      31.254      -5.606      25.648   5.84 0.143 0.600 0.264 2.059     283.552     340.000       9.213   11 
+    370000       74000.00      31.092       1.253      32.346   6.13 0.000 1.000 0.333 2.298     282.086     340.000       7.353   11 
+    380000       76000.00      38.390      -3.129      35.261  10.11 0.071 0.500 0.182 1.254     348.294     340.000      13.282   11 
+    390000       78000.00      27.846       0.986      28.833   6.03 0.000 1.000 0.614 1.698     252.636     340.000       7.532   11 
+    400000       80000.00      33.419       5.299      38.718  10.78 0.000   NaN   NaN 2.748     303.195     340.000      15.054   11 
+    410000       82000.00      36.824       1.882      38.706   6.64 0.000 1.000 0.159 1.622     334.090     400.000      10.947   11 
+    420000       84000.00      32.039      -7.551      24.489   5.50 0.071 0.500 0.409 2.211     290.678     400.000       9.446   11 
+    430000       86000.00      45.756      -5.877      39.879   6.89 0.000 1.000 0.136 1.340     415.122     400.000      11.419   11 
+    440000       88000.00      35.944      -2.868      33.076  10.27 0.071 0.000 0.182 1.229     326.102     400.000      12.596   11 
+    450000       90000.00      34.873       8.898      43.771   6.53 0.000 1.000 0.364 1.663     316.387     400.000       8.287   11 
+    460000       92000.00      49.704      13.295      62.999   6.26 0.071 0.667 0.197 1.491     450.940     400.000       9.345   11 
+    470000       94000.00      48.003      13.803      61.806  10.94 0.000   NaN   NaN 2.005     435.512     400.000      14.649   11 
+    480000       96000.00      44.515       2.125      46.640   9.45 0.000 1.000 0.182 1.049     403.859     400.000      11.823   11 
+    490000       98000.00      39.820       3.109      42.929  12.97 0.000   NaN   NaN 1.648     361.271     400.000      16.452   11 
+    500000      100000.00      47.053       7.934      54.987   5.52 0.000 1.000 0.636 1.980     426.892     400.000       8.845   11 
+    510000      102000.00      47.895      -3.190      44.704   5.96 0.000   NaN   NaN 1.029     434.525     390.000       9.288   11 
+    520000      104000.00      36.635      -3.638      32.997   5.01 0.000   NaN   NaN 0.973     332.373     390.000       9.961   11 
+    530000      106000.00      40.160      13.398      53.559   5.84 0.071 0.500 0.205 1.056     364.353     390.000       9.041   11 
+    540000      108000.00      37.390       0.352      37.742   7.68 0.000   NaN   NaN 2.618     339.221     390.000      12.518   11 
+    550000      110000.00      44.378       7.735      52.113   7.15 0.071 0.667 0.152 1.070     402.621     390.000      10.996   11 
+    560000      112000.00      37.975     -11.933      26.042   4.04 0.071 0.750 0.443 1.411     344.532     390.000       7.938   11 
+    570000      114000.00      36.583       2.579      39.162   5.87 0.000 1.000 0.182 3.295     331.903     390.000       9.899   11 
+    580000      116000.00      37.718       2.514      40.232   5.78 0.071 0.750 0.648 1.306     342.194     390.000       9.194   11 
+    590000      118000.00      41.380       0.978      42.358   7.29 0.000   NaN   NaN 1.189     375.425     390.000      11.198   11 
+    600000      120000.00      31.599      12.608      44.207   5.03 0.071 0.000 0.136 1.938     286.684     390.000       9.409   11 
+    610000      122000.00      36.614      -3.583      33.031   4.88 0.143 0.667 0.455 1.882     332.178     380.000       8.131   11 
+    620000      124000.00      36.150     -10.712      25.438   7.44 0.000 1.000 0.227 2.245     327.975     380.000      11.611   11 
+    630000      126000.00      30.778      -6.703      24.075   7.37 0.000 1.000 0.182 1.262     279.237     380.000      10.586   11 
+    640000      128000.00      38.901       3.295      42.196   5.65 0.143 0.500 0.568 2.012     352.931     380.000       7.476   11 
+    650000      130000.00      41.109       1.667      42.776   6.37 0.000 1.000 0.432 1.649     372.961     380.000      10.298   11 
+    660000      132000.00      34.320      -9.848      24.471  13.42 0.000   NaN   NaN 0.848     311.365     380.000      16.577   11 
+    670000      134000.00      48.077      -4.796      43.281   8.01 0.071 0.500 0.136 2.301     436.178     380.000      12.249   11 
+    680000      136000.00      39.577      -2.183      37.394   5.40 0.000 1.000 0.391 1.733     359.061     380.000       7.952   11 
+    690000      138000.00      29.377       4.376      33.753   6.40 0.071 0.800 0.245 1.477     266.522     380.000       8.155   11 
+    700000      140000.00      39.940      -0.134      39.806   5.57 0.000 1.000 0.227 1.659     362.355     380.000       9.866   11 
+    710000      142000.00      28.832      -9.259      19.573   5.50 0.071 0.857 0.344 2.429     261.576     370.000       8.090   11 
+    720000      144000.00      39.954      -0.254      39.700   6.20 0.143 0.333 0.167 2.369     362.486     370.000       8.415   11 
+    730000      146000.00      33.481      12.282      45.763   8.77 0.000 1.000 0.303 0.948     303.755     370.000      10.905   11 
+    740000      148000.00      38.795       5.018      43.813   8.82 0.000   NaN   NaN 2.655     351.969     370.000      13.158   11 
+    750000      150000.00      31.164      -1.039      30.125   5.33 0.071 0.857 0.383 1.963     282.735     370.000       7.749   11 
+    760000      152000.00      27.139       4.590      31.729  10.72 0.071 0.000 0.136 1.293     246.221     370.000      13.671   11 
+    770000      154000.00      33.599       1.670      35.269   5.46 0.143 0.000 0.159 2.236     304.831     370.000       9.632   11 
+    780000      156000.00      36.466       5.656      42.123   6.46 0.000   NaN   NaN 1.668     330.841     370.000       8.831   11 
+    790000      158000.00      29.757      -8.207      21.550   5.47 0.000 1.000 0.364 1.967     269.972     370.000       8.678   11 
+    800000      160000.00      43.499      -3.257      40.242   7.28 0.071 0.800 0.255 1.498     394.646     370.000       9.711   11 
+    810000      162000.00      33.764     -12.331      21.433   7.86 0.071 0.000 0.136 1.404     306.321     360.000      12.226   11 
+    820000      164000.00      39.045      -6.488      32.557   6.00 0.071 0.500 0.432 0.963     354.239     360.000       7.988   11 
+    830000      166000.00      34.223      -3.128      31.095   6.15 0.000 1.000 0.466 1.150     310.491     360.000       9.258   11 
+    840000      168000.00      41.774       7.573      49.347   5.37 0.000   NaN   NaN 1.915     378.995     360.000       9.527   11 
+    850000      170000.00      29.654      -8.632      21.022   9.79 0.071 0.500 0.136 1.612     269.040     360.000      13.301   11 
+    860000      172000.00      38.273      -6.134      32.139   8.50 0.071 0.000 0.136 2.437     347.236     360.000      12.249   11 
+    870000      174000.00      31.932     -11.428      20.503  11.02 0.000 1.000 0.273 1.760     289.700     360.000      14.599   11 
+    880000      176000.00      43.533      -3.095      40.437   5.63 0.000 1.000 0.303 1.993     394.950     360.000       8.735   11 
+    890000      178000.00      36.341     -11.302      25.038   5.47 0.143 0.500 0.148 3.048     329.700     360.000       9.435   11 
+    900000      180000.00      35.389       1.763      37.152   5.19 0.143 0.333 0.167 1.789     321.071     360.000       9.016   11 
+    910000      182000.00      38.559      -0.777      37.782   7.05 0.000   NaN   NaN 1.143     349.824     350.000      11.445   11 
+    920000      184000.00      31.056      -4.285      26.772   4.08 0.143 0.333 0.212 1.375     281.758     350.000       9.143   11 
+    930000      186000.00      32.206      -3.482      28.724   6.26 0.000   NaN   NaN 3.244     292.192     350.000      10.167   11 
+    940000      188000.00      34.963      -9.318      25.645   4.34 0.214 0.400 0.318 1.262     317.203     350.000       7.962   11 
+    950000      190000.00      45.416      -3.521      41.895   5.14 0.143 0.000 0.159 0.856     412.038     350.000       9.653   11 
+    960000      192000.00      26.581      -5.859      20.723   6.12 0.214 0.500 0.371 1.579     241.161     350.000       7.659   11 
+    970000      194000.00      37.030      -1.775      35.255   6.65 0.071 0.000 0.136 2.378     335.959     350.000       9.984   11 
+    980000      196000.00      33.421      -4.233      29.188   9.62 0.000   NaN   NaN 2.656     303.209     350.000      13.257   11 
+    990000      198000.00      34.404       5.862      40.266  10.06 0.000 1.000 0.273 4.333     312.129     350.000      13.531   11 
+   1000000      200000.00      32.894     -15.051      17.843   6.93 0.143 0.333 0.152 1.772     298.432     350.000      11.109   11