Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / REMD / with_constrains / Berendsen / ff_gab / outputs / 1L2Y_REMD_GB010.stat

diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB010.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB010.stat
new file mode 100644 (file)
index 0000000..bd42e9d
--- /dev/null
+++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB010.stat
@@ -0,0 +1,101 @@
+         0           0.00      40.002     668.455     708.457   0.00 1.000 0.000 0.308 8.656     362.917     350.000       7.001   10 
+     10000        2000.00      36.689       3.754      40.444   3.88 0.143 0.333 0.182 1.682     332.864     350.000       8.258   10 
+     20000        4000.00      33.032      -8.179      24.853   4.45 0.143 0.750 0.267 1.444     299.683     350.000       7.200   10 
+     30000        6000.00      31.592     -10.303      21.289   8.30 0.214 0.250 0.136 1.979     286.619     350.000      11.959   10 
+     40000        8000.00      23.294       5.035      28.329   8.84 0.071 0.000 0.136 1.752     211.333     350.000      13.476   10 
+     50000       10000.00      31.913      -7.397      24.516   3.86 0.357 0.444 0.429 2.042     289.528     350.000       7.248   10 
+     60000       12000.00      38.214      -8.010      30.204   4.32 0.214 0.700 0.359 1.674     346.694     350.000       7.623   10 
+     70000       14000.00      29.678     -11.766      17.912   4.18 0.286 0.333 0.515 1.565     269.251     350.000       8.716   10 
+     80000       16000.00      37.236       0.172      37.409   8.29 0.071 0.500 0.182 3.255     337.828     350.000      12.418   10 
+     90000       18000.00      29.808     -12.452      17.356   6.26 0.214 0.571 0.201 1.073     270.432     350.000       9.885   10 
+    100000       20000.00      32.447       2.588      35.035   7.74 0.000 1.000 0.182 1.666     294.374     350.000      10.631   10 
+    110000       22000.00      27.204     -13.360      13.845   5.38 0.143 0.600 0.382 2.147     246.813     370.000       8.215   10 
+    120000       24000.00      37.354       7.934      45.288   3.61 0.214 0.250 0.216 1.530     338.894     370.000       8.191   10 
+    130000       26000.00      33.294      -9.890      23.404   5.81 0.143 0.600 0.164 1.411     302.061     370.000       7.947   10 
+    140000       28000.00      40.522      -3.433      37.089   4.27 0.286 0.636 0.463 1.695     367.640     370.000       8.113   10 
+    150000       30000.00      35.198       4.467      39.665   6.59 0.000   NaN   NaN 1.673     319.332     370.000       8.990   10 
+    160000       32000.00      37.136      -2.608      34.528   6.95 0.071 0.500 0.250 2.197     336.913     370.000      10.178   10 
+    170000       34000.00      32.459       7.949      40.408   7.49 0.071 0.857 0.227 1.275     294.485     370.000       8.247   10 
+    180000       36000.00      38.876     -10.096      28.780   4.08 0.143 0.500 0.455 1.265     352.703     370.000       8.228   10 
+    190000       38000.00      28.820       4.459      33.279   7.54 0.000   NaN   NaN 1.521     261.474     370.000      12.102   10 
+    200000       40000.00      32.101      -3.983      28.119   8.71 0.286 0.200 0.173 3.007     291.240     370.000      11.545   10 
+    210000       42000.00      39.750      -1.266      38.484   5.32 0.071 0.500 0.432 2.287     360.636     360.000       8.131   10 
+    220000       44000.00      42.321      -1.548      40.774   7.29 0.143 0.333 0.197 2.068     383.962     360.000      10.306   10 
+    230000       46000.00      34.286      -0.374      33.912   6.88 0.071 0.800 0.218 1.062     311.058     360.000       9.642   10 
+    240000       48000.00      34.130      -5.580      28.550   4.65 0.000 1.000 0.261 1.596     309.645     360.000       8.836   10 
+    250000       50000.00      35.071      -6.964      28.107   8.97 0.071 0.500 0.159 1.759     318.184     360.000      12.338   10 
+    260000       52000.00      29.582     -14.377      15.205   6.11 0.143 0.600 0.173 1.540     268.383     360.000       7.867   10 
+    270000       54000.00      38.708     -11.045      27.664   5.10 0.214 0.250 0.352 0.900     351.183     360.000       8.414   10 
+    280000       56000.00      35.991      -3.945      32.046   5.20 0.071 0.750 0.250 0.751     326.531     360.000       7.300   10 
+    290000       58000.00      43.344       0.689      44.033   5.37 0.071 0.500 0.227 3.317     393.243     360.000       8.548   10 
+    300000       60000.00      32.346      -2.727      29.620   4.75 0.071 0.667 0.167 4.701     293.461     360.000       8.333   10 
+    310000       62000.00      30.153      -9.701      20.452   4.03 0.286 0.200 0.264 2.017     273.561     350.000       8.476   10 
+    320000       64000.00      39.001      -9.238      29.763   5.10 0.000 1.000 0.402 1.614     353.840     350.000       8.134   10 
+    330000       66000.00      44.676      -3.485      41.191   5.84 0.071 0.875 0.398 1.859     405.324     350.000       7.233   10 
+    340000       68000.00      30.999     -10.311      20.688   6.46 0.071 0.000 0.182 3.742     281.237     350.000      11.192   10 
+    350000       70000.00      34.348      -3.798      30.550   3.38 0.214 0.400 0.255 2.495     311.623     350.000       7.490   10 
+    360000       72000.00      35.991     -12.639      23.352   6.28 0.214 0.500 0.197 3.216     326.528     350.000       9.777   10 
+    370000       74000.00      36.239     -15.570      20.669   6.98 0.071 0.800 0.227 1.896     328.782     350.000       9.026   10 
+    380000       76000.00      31.527       0.845      32.372   6.47 0.143 0.333 0.152 1.930     286.028     350.000       8.632   10 
+    390000       78000.00      40.391      -0.818      39.573   6.90 0.071 0.750 0.216 1.900     366.445     350.000       8.092   10 
+    400000       80000.00      32.280      -3.638      28.642   3.22 0.071 0.833 0.273 2.457     292.859     350.000       7.834   10 
+    410000       82000.00      32.799       4.982      37.781  10.82 0.071 0.000 0.136 1.842     297.568     340.000      14.122   10 
+    420000       84000.00      34.935       2.424      37.359  11.14 0.071 0.500 0.159 1.712     316.950     340.000      14.428   10 
+    430000       86000.00      34.729     -14.310      20.419   8.41 0.143 0.500 0.148 0.955     315.081     340.000      11.217   10 
+    440000       88000.00      37.266       4.536      41.802   3.27 0.214 0.700 0.182 1.346     338.093     340.000       8.217   10 
+    450000       90000.00      32.083      -6.351      25.732  10.87 0.000 1.000 0.136 3.642     291.077     340.000      14.736   10 
+    460000       92000.00      31.116     -12.247      18.868   4.39 0.143 0.667 0.280 1.311     282.296     340.000       7.434   10 
+    470000       94000.00      30.883     -12.686      18.197   6.30 0.000 1.000 0.432 1.384     280.185     340.000       9.438   10 
+    480000       96000.00      37.208      -2.451      34.756   4.98 0.071 0.000 0.136 1.802     337.567     340.000       7.850   10 
+    490000       98000.00      33.464     -10.292      23.172   5.95 0.143 0.750 0.517 2.067     303.605     340.000       8.271   10 
+    500000      100000.00      43.813      -8.609      35.204   4.98 0.143 0.600 0.427 2.241     397.498     340.000       8.483   10 
+    510000      102000.00      43.420       2.309      45.729   9.82 0.071 0.000 0.136 0.849     393.928     400.000      12.467   10 
+    520000      104000.00      43.010      12.340      55.350   6.99 0.000 1.000 0.205 2.129     390.205     400.000      10.402   10 
+    530000      106000.00      38.084       1.699      39.783   4.67 0.143 0.714 0.396 1.982     345.517     400.000       8.284   10 
+    540000      108000.00      44.653       0.514      45.167  12.50 0.071 0.000 0.182 1.096     405.117     400.000      15.218   10 
+    550000      110000.00      38.932       8.273      47.204   4.72 0.071 0.500 0.136 2.093     353.209     400.000       9.324   10 
+    560000      112000.00      30.959      11.666      42.626   6.29 0.071 0.833 0.280 2.283     280.877     400.000       9.637   10 
+    570000      114000.00      41.053      11.802      52.854   9.01 0.000   NaN   NaN 2.153     372.452     400.000      12.866   10 
+    580000      116000.00      28.154       4.090      32.244   6.20 0.071 0.500 0.136 1.842     255.423     400.000      10.969   10 
+    590000      118000.00      44.568       5.627      50.194   4.28 0.143 0.667 0.280 1.505     404.339     400.000       8.691   10 
+    600000      120000.00      36.644      -1.759      34.885   6.30 0.071 0.667 0.333 1.706     332.455     400.000       8.263   10 
+    610000      122000.00      57.362      -7.204      50.158   8.15 0.000 1.000 0.227 1.003     520.416     390.000      11.821   10 
+    620000      124000.00      38.166      -3.046      35.120   7.75 0.000 1.000 0.182 2.818     346.262     390.000      11.317   10 
+    630000      126000.00      45.793      -0.638      45.155   6.29 0.071 0.667 0.182 1.216     415.456     390.000       9.736   10 
+    640000      128000.00      37.457       6.363      43.820   8.72 0.071 0.500 0.159 1.878     339.830     390.000      12.440   10 
+    650000      130000.00      35.763      10.681      46.444   7.53 0.143 0.600 0.300 4.186     324.456     390.000       7.854   10 
+    660000      132000.00      45.613       3.689      49.302   9.28 0.143 0.333 0.182 1.547     413.824     390.000      13.195   10 
+    670000      134000.00      35.169       0.976      36.146   7.47 0.071 0.500 0.227 1.961     319.073     390.000       9.978   10 
+    680000      136000.00      39.734       0.858      40.592   7.52 0.071 0.000 0.182 1.171     360.486     390.000      10.886   10 
+    690000      138000.00      36.136       9.645      45.781   4.16 0.071 0.500 0.136 1.769     327.843     390.000       8.791   10 
+    700000      140000.00      38.884       4.386      43.269   4.68 0.143 0.500 0.295 2.690     352.773     390.000       7.852   10 
+    710000      142000.00      35.532      -2.393      33.138   5.26 0.000 1.000 0.318 1.917     322.361     400.000       8.550   10 
+    720000      144000.00      36.981       7.187      44.168   5.28 0.000 1.000 0.182 1.381     335.510     400.000       9.338   10 
+    730000      146000.00      47.356       8.094      55.449   8.58 0.071 0.500 0.136 2.573     429.634     400.000      12.223   10 
+    740000      148000.00      54.996      -5.289      49.707   7.78 0.071 0.500 0.205 1.645     498.954     400.000      11.924   10 
+    750000      150000.00      36.463      -6.535      29.928   5.25 0.071 0.833 0.167 2.130     330.811     400.000       8.605   10 
+    760000      152000.00      40.005     -11.005      29.000   4.77 0.071 0.833 0.250 2.051     362.950     400.000       8.915   10 
+    770000      154000.00      41.311      13.584      54.895   5.07 0.071 0.667 0.182 1.185     374.796     400.000       8.190   10 
+    780000      156000.00      48.022      -0.293      47.728   6.91 0.071 0.000 0.182 1.685     435.676     400.000       9.689   10 
+    790000      158000.00      34.482     -10.195      24.287   6.13 0.143 0.333 0.167 2.145     312.841     400.000      10.230   10 
+    800000      160000.00      40.800       2.449      43.249   5.77 0.071 0.000 0.136 1.321     370.161     400.000      10.013   10 
+    810000      162000.00      45.312      -1.113      44.198   6.32 0.000   NaN   NaN 2.202     411.090     390.000       9.300   10 
+    820000      164000.00      41.769      -4.408      37.361   4.11 0.143 0.667 0.447 2.023     378.953     390.000       7.914   10 
+    830000      166000.00      37.456      13.257      50.713   5.91 0.071 0.667 0.152 1.662     339.821     390.000       9.779   10 
+    840000      168000.00      37.315      14.650      51.964   9.82 0.000   NaN   NaN 1.279     338.539     390.000      13.182   10 
+    850000      170000.00      33.265      -6.039      27.226   5.16 0.071 0.000 0.136 1.583     301.801     390.000      10.214   10 
+    860000      172000.00      41.353      10.936      52.290   5.43 0.071 0.667 0.152 2.322     375.179     390.000      10.185   10 
+    870000      174000.00      34.012      -5.379      28.634   6.78 0.071 0.500 0.205 1.716     308.579     390.000       9.834   10 
+    880000      176000.00      35.793      13.484      49.277   8.35 0.000   NaN   NaN 1.658     324.736     390.000      11.862   10 
+    890000      178000.00      40.008      -6.602      33.406   6.34 0.071 0.800 0.191 2.675     362.973     390.000       8.533   10 
+    900000      180000.00      34.603      16.620      51.223   6.72 0.071 0.000 0.182 1.145     313.936     390.000      10.383   10 
+    910000      182000.00      29.815      -5.430      24.385   5.56 0.143 0.750 0.386 1.772     270.498     400.000       7.227   10 
+    920000      184000.00      45.175      -4.723      40.452   5.25 0.214 0.400 0.164 1.667     409.851     400.000       9.014   10 
+    930000      186000.00      42.125      -2.672      39.453   6.80 0.071 0.750 0.261 1.434     382.179     400.000      10.561   10 
+    940000      188000.00      43.588      -2.129      41.459   5.21 0.071 0.000 0.136 1.971     395.453     400.000       8.948   10 
+    950000      190000.00      33.042      -4.171      28.871   5.76 0.000 1.000 0.600 2.703     299.773     400.000       8.014   10 
+    960000      192000.00      40.849      -0.995      39.853   8.41 0.071 0.500 0.159 1.416     370.602     400.000      12.146   10 
+    970000      194000.00      40.638      -3.013      37.625   4.81 0.143 0.000 0.159 1.778     368.685     400.000       9.029   10 
+    980000      196000.00      37.893       6.250      44.143   7.35 0.143 0.000 0.136 2.072     343.785     400.000      11.219   10 
+    990000      198000.00      40.628       3.529      44.157   7.26 0.000 1.000 0.295 1.082     368.602     400.000       9.452   10 
+   1000000      200000.00      38.731       2.266      40.997   4.54 0.071 0.500 0.136 2.914     351.383     400.000       9.110   10