Merge branch 'prerelease-3.2.1' into czarek

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

diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB011.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB011.stat
new file mode 100644 (file)
index 0000000..592bbea
--- /dev/null
+++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB011.stat
@@ -0,0 +1,101 @@
+         0           0.00      48.657     669.386     718.043   0.00 1.000 0.000 0.308 8.655     441.442     360.000       7.001   11 
+     10000        2000.00      36.651      -3.595      33.056   4.90 0.071 0.000 0.136 1.296     332.518     360.000       9.193   11 
+     20000        4000.00      36.369      -7.931      28.438   5.60 0.143 0.500 0.148 2.428     329.957     360.000      10.078   11 
+     30000        6000.00      35.663       4.378      40.040   6.20 0.143 0.500 0.170 2.561     323.551     360.000       9.108   11 
+     40000        8000.00      43.520      -1.815      41.705   5.63 0.071 0.800 0.273 1.376     394.834     360.000       7.915   11 
+     50000       10000.00      31.998      -6.560      25.437   7.79 0.071 0.000 0.136 1.396     290.299     360.000      12.455   11 
+     60000       12000.00      40.338      -2.096      38.242   6.61 0.071 0.667 0.152 1.234     365.965     360.000       9.632   11 
+     70000       14000.00      41.527      -5.031      36.496   5.26 0.071 0.667 0.197 1.022     376.758     360.000       8.468   11 
+     80000       16000.00      31.728     -14.060      17.669   5.02 0.143 0.800 0.364 1.218     287.856     360.000       7.374   11 
+     90000       18000.00      36.379      -3.943      32.436   5.88 0.071 0.875 0.375 1.980     330.051     360.000       7.774   11 
+    100000       20000.00      33.801      -9.322      24.479   5.63 0.071 0.800 0.518 1.787     306.659     360.000       7.768   11 
+    110000       22000.00      31.397     -13.887      17.510   5.77 0.000 1.000 0.364 1.508     284.850     350.000       8.282   11 
+    120000       24000.00      32.074     -13.130      18.945   7.80 0.071 0.833 0.235 0.898     290.996     350.000       8.921   11 
+    130000       26000.00      34.988     -14.837      20.151   7.11 0.000 1.000 0.303 3.572     317.433     350.000       7.127   11 
+    140000       28000.00      37.055      -8.601      28.454   5.89 0.000 1.000 0.318 2.183     336.183     350.000       7.135   11 
+    150000       30000.00      27.946     -17.633      10.312   4.59 0.143 0.778 0.369 1.728     253.538     350.000       7.433   11 
+    160000       32000.00      34.009      -4.449      29.559   5.74 0.071 0.833 0.341 1.012     308.544     350.000       8.075   11 
+    170000       34000.00      33.472      -9.820      23.652   6.50 0.214 0.625 0.369 2.465     303.676     350.000       7.415   11 
+    180000       36000.00      25.187      -8.326      16.861   6.74 0.071 0.800 0.373 2.426     228.510     350.000       9.382   11 
+    190000       38000.00      31.438      -4.603      26.835   5.98 0.000 1.000 0.136 0.995     285.225     350.000       9.485   11 
+    200000       40000.00      22.650      -2.036      20.613   5.81 0.071 0.800 0.409 0.938     205.489     350.000       7.008   11 
+    210000       42000.00      35.349     -30.289       5.060   5.30 0.143 0.778 0.303 0.616     320.706     340.000       7.042   11 
+    220000       44000.00      31.310     -17.043      14.267   4.37 0.000 1.000 0.336 1.561     284.060     340.000       7.350   11 
+    230000       46000.00      42.611     -20.769      21.842   2.48 0.214 0.500 0.295 1.641     386.590     340.000       7.512   11 
+    240000       48000.00      36.809     -13.940      22.869   5.05 0.214 0.400 0.264 1.236     333.952     340.000       7.225   11 
+    250000       50000.00      34.770      -6.017      28.753   6.57 0.000 1.000 0.386 2.441     315.453     340.000       7.518   11 
+    260000       52000.00      33.129     -21.019      12.110   5.89 0.214 0.700 0.327 1.524     300.568     340.000       7.332   11 
+    270000       54000.00      38.718     -18.786      19.932   5.41 0.143 0.600 0.345 1.494     351.269     340.000       8.842   11 
+    280000       56000.00      32.236      -6.135      26.101   7.37 0.000 1.000 0.136 1.991     292.460     340.000      11.288   11 
+    290000       58000.00      30.738     -11.976      18.762   4.05 0.214 0.625 0.256 1.708     278.868     340.000       7.786   11 
+    300000       60000.00      29.989      13.066      43.055   9.11 0.000   NaN   NaN 2.701     272.077     340.000      12.224   11 
+    310000       62000.00      48.083      -4.764      43.320   5.61 0.000 1.000 0.369 2.004     436.234     400.000       8.486   11 
+    320000       64000.00      42.146       2.512      44.658   9.66 0.143 0.500 0.148 2.684     382.368     400.000      11.966   11 
+    330000       66000.00      35.929       4.902      40.831   8.90 0.071 0.000 0.136 1.071     325.970     400.000      11.562   11 
+    340000       68000.00      43.817       4.032      47.849   3.69 0.214 0.500 0.288 3.843     397.531     400.000       8.283   11 
+    350000       70000.00      38.215      17.751      55.966   7.19 0.000 1.000 0.227 2.969     346.706     400.000       9.948   11 
+    360000       72000.00      37.355       5.569      42.923   7.18 0.000 1.000 0.136 2.255     338.901     400.000      10.156   11 
+    370000       74000.00      44.551       0.140      44.691   7.86 0.071 0.667 0.227 1.657     404.187     400.000       8.577   11 
+    380000       76000.00      40.318      -0.512      39.806   7.24 0.071 0.500 0.205 1.535     365.785     400.000      10.686   11 
+    390000       78000.00      29.166       7.793      36.959   7.91 0.071 0.750 0.205 1.393     264.606     400.000       9.788   11 
+    400000       80000.00      41.425      -6.995      34.430   7.41 0.071 0.800 0.218 1.876     375.828     400.000       8.340   11 
+    410000       82000.00      36.172       1.730      37.901   4.02 0.143 0.000 0.159 2.135     328.167     390.000       8.749   11 
+    420000       84000.00      31.173      -3.975      27.199  10.75 0.214 0.250 0.148 1.798     282.821     390.000      13.519   11 
+    430000       86000.00      42.123     -11.316      30.807   5.57 0.000 1.000 0.530 0.946     382.160     390.000       8.465   11 
+    440000       88000.00      34.240      -1.320      32.920   4.07 0.143 0.714 0.234 1.199     310.639     390.000       7.573   11 
+    450000       90000.00      35.910       5.371      41.282   9.25 0.071 0.000 0.136 1.676     325.798     390.000      12.712   11 
+    460000       92000.00      43.578      16.330      59.908   5.59 0.071 0.750 0.284 1.717     395.363     390.000       8.711   11 
+    470000       94000.00      42.110     -12.813      29.297   6.78 0.071 0.833 0.242 2.676     382.041     390.000       7.241   11 
+    480000       96000.00      35.089       7.223      42.312   9.23 0.071 0.500 0.182 2.942     318.342     390.000      13.307   11 
+    490000       98000.00      40.053       4.023      44.076  11.70 0.000   NaN   NaN 1.394     363.383     390.000      14.136   11 
+    500000      100000.00      49.298       6.211      55.509   4.61 0.143 0.714 0.506 1.257     447.258     390.000       7.988   11 
+    510000      102000.00      37.172       7.747      44.918   8.75 0.071 0.500 0.205 2.761     337.239     380.000      12.724   11 
+    520000      104000.00      36.463      -1.823      34.640   5.52 0.071 0.500 0.136 1.144     330.815     380.000      10.173   11 
+    530000      106000.00      40.043      -0.716      39.327   5.56 0.214 0.250 0.170 2.394     363.288     380.000       9.973   11 
+    540000      108000.00      38.835      -7.471      31.364   8.29 0.214 0.000 0.152 1.077     352.333     380.000      11.408   11 
+    550000      110000.00      29.094      -3.108      25.986   4.43 0.071 0.500 0.591 1.250     263.952     380.000       8.421   11 
+    560000      112000.00      39.747       0.749      40.497   4.23 0.071 0.800 0.455 2.440     360.608     380.000       8.256   11 
+    570000      114000.00      36.924       2.888      39.812   9.46 0.000   NaN   NaN 1.841     334.997     380.000      11.969   11 
+    580000      116000.00      35.125     -11.599      23.527   6.66 0.000 1.000 0.261 2.133     318.676     380.000       7.685   11 
+    590000      118000.00      35.765      13.086      48.851   5.44 0.000 1.000 0.136 1.532     324.477     380.000       9.966   11 
+    600000      120000.00      33.681      -1.119      32.562   6.05 0.071 0.750 0.330 0.980     305.573     380.000       7.424   11 
+    610000      122000.00      37.065       4.379      41.444   7.83 0.071 0.800 0.282 1.811     336.275     370.000      10.322   11 
+    620000      124000.00      37.190      -7.931      29.259   5.28 0.143 0.000 0.159 2.323     337.404     370.000       9.689   11 
+    630000      126000.00      23.093       4.185      27.278   4.09 0.143 0.333 0.136 2.196     209.508     370.000       8.912   11 
+    640000      128000.00      39.929      -6.507      33.421   6.04 0.071 0.750 0.375 2.507     362.253     370.000       8.960   11 
+    650000      130000.00      44.113      16.943      61.056   9.72 0.071 0.500 0.159 2.502     400.217     370.000      11.613   11 
+    660000      132000.00      33.736     -23.753       9.983   4.43 0.143 0.500 0.205 1.118     306.071     370.000       8.677   11 
+    670000      134000.00      45.347       2.453      47.800  10.47 0.071 0.500 0.136 2.083     411.409     370.000      13.723   11 
+    680000      136000.00      39.001      13.315      52.316  10.10 0.071 0.500 0.159 1.445     353.834     370.000      13.306   11 
+    690000      138000.00      30.171       8.933      39.104   6.27 0.071 0.875 0.261 3.049     273.724     370.000       7.663   11 
+    700000      140000.00      40.031      -1.443      38.588   6.05 0.071 0.857 0.403 2.940     363.179     370.000       8.533   11 
+    710000      142000.00      31.442      -4.296      27.147   5.70 0.071 0.875 0.352 2.446     285.262     360.000       7.141   11 
+    720000      144000.00      38.332      -4.387      33.944   7.63 0.000 1.000 0.227 2.559     347.765     360.000       8.854   11 
+    730000      146000.00      27.806       2.923      30.730   8.23 0.000 1.000 0.227 3.009     252.275     360.000      11.681   11 
+    740000      148000.00      39.534      -7.525      32.009   5.74 0.000 1.000 0.273 2.979     358.672     360.000       8.991   11 
+    750000      150000.00      32.765       5.679      38.444   5.50 0.000 1.000 0.394 1.236     297.258     360.000       9.010   11 
+    760000      152000.00      31.339     -19.229      12.110   5.40 0.143 0.667 0.386 1.905     284.324     360.000       7.589   11 
+    770000      154000.00      34.344     -12.684      21.660   5.25 0.286 0.429 0.351 1.284     311.586     360.000       7.059   11 
+    780000      156000.00      38.259      -3.612      34.646   9.91 0.071 0.000 0.136 1.541     347.102     360.000      13.802   11 
+    790000      158000.00      26.134      -0.711      25.423   8.38 0.000 1.000 0.227 1.571     237.100     360.000      11.761   11 
+    800000      160000.00      33.396     -11.788      21.609   8.03 0.143 0.500 0.205 1.551     302.990     360.000      11.103   11 
+    810000      162000.00      34.751      -5.951      28.800   5.46 0.071 0.800 0.555 3.150     315.279     360.000       7.700   11 
+    820000      164000.00      33.285     -10.677      22.608   5.57 0.071 0.857 0.260 1.374     301.980     360.000       7.333   11 
+    830000      166000.00      35.662      -2.760      32.902   4.77 0.071 0.667 0.197 2.287     323.545     360.000       8.214   11 
+    840000      168000.00      40.005       1.570      41.575   5.30 0.143 0.667 0.258 2.458     362.945     360.000       7.813   11 
+    850000      170000.00      31.720     -12.187      19.533   4.82 0.143 0.667 0.303 1.353     287.785     360.000       7.921   11 
+    860000      172000.00      34.272     -11.306      22.966   5.57 0.143 0.778 0.308 2.592     310.932     360.000       7.666   11 
+    870000      174000.00      36.324     -15.148      21.177   7.02 0.143 0.600 0.336 1.211     329.553     360.000       8.312   11 
+    880000      176000.00      42.930     -13.467      29.463   4.92 0.357 0.545 0.405 2.386     389.481     360.000       7.261   11 
+    890000      178000.00      37.450     -13.807      23.643   5.82 0.071 0.833 0.447 2.182     339.770     360.000       7.222   11 
+    900000      180000.00      30.810      -4.591      26.219   7.07 0.143 0.667 0.242 1.513     279.527     360.000       8.892   11 
+    910000      182000.00      36.409      -4.984      31.425   3.86 0.071 0.000 0.136 1.303     330.321     380.000       8.371   11 
+    920000      184000.00      35.001     -11.586      23.415   7.66 0.000 1.000 0.258 1.969     317.551     380.000      11.610   11 
+    930000      186000.00      36.099      -3.254      32.845   7.43 0.143 0.500 0.159 0.906     327.508     380.000       9.551   11 
+    940000      188000.00      34.636      -0.432      34.204   6.55 0.071 0.750 0.398 1.797     314.235     380.000       7.481   11 
+    950000      190000.00      41.308       8.515      49.823   4.39 0.071 0.000 0.182 1.778     374.770     380.000       8.282   11 
+    960000      192000.00      30.840      -7.509      23.331   7.58 0.000 1.000 0.205 2.646     279.800     380.000       9.839   11 
+    970000      194000.00      39.930       5.631      45.561   4.43 0.214 0.500 0.303 1.852     362.265     380.000       7.328   11 
+    980000      196000.00      29.619      16.153      45.772   8.23 0.071 0.000 0.136 1.319     268.720     380.000       9.265   11 
+    990000      198000.00      34.622      10.994      45.617  10.87 0.071 0.500 0.136 1.555     314.111     380.000      14.335   11 
+   1000000      200000.00      33.625      -8.584      25.041   6.81 0.071 0.750 0.341 1.515     305.062     380.000       9.454   11