Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / REMD / Berendsen / ff_gab / outputs / 1L2Y_REMD_GB012.stat

diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB012.stat b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB012.stat
new file mode 100644 (file)
index 0000000..aace3f5
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB012.stat
@@ -0,0 +1,101 @@
+         0           0.00      27.576      24.554      52.130  12.87 0.000   NaN   NaN 0.711     250.183     370.000      15.552   12 
+     10000        2000.00      30.441       1.699      32.139   6.21 0.000 1.000 0.409 0.971     276.172     370.000      10.861   12 
+     20000        4000.00      38.894      -2.136      36.758   4.99 0.143 0.750 0.403 2.731     352.868     370.000       7.897   12 
+     30000        6000.00      49.525      -6.207      43.317   6.09 0.000 1.000 0.432 2.917     449.313     370.000       7.296   12 
+     40000        8000.00      39.119      -4.986      34.133   5.38 0.000 1.000 0.341 2.080     354.910     370.000       9.222   12 
+     50000       10000.00      44.049       1.481      45.530   5.28 0.071 0.000 0.182 2.299     399.635     370.000       8.986   12 
+     60000       12000.00      31.014      -5.160      25.853   6.37 0.071 0.500 0.136 1.493     281.372     370.000      11.141   12 
+     70000       14000.00      45.908      -9.575      36.333   7.74 0.071 0.667 0.152 3.164     416.504     370.000       9.804   12 
+     80000       16000.00      51.006     -18.057      32.950   4.36 0.214 0.571 0.435 1.863     462.756     370.000       8.605   12 
+     90000       18000.00      36.459       1.727      38.186   9.64 0.000   NaN   NaN 2.809     330.774     370.000      13.421   12 
+    100000       20000.00      42.513     -17.054      25.458   4.78 0.143 0.750 0.375 3.043     385.696     370.000       8.328   12 
+    110000       22000.00      39.988      -2.383      37.605   8.31 0.071 0.750 0.159 1.674     362.789     360.000      10.405   12 
+    120000       24000.00      31.919     -14.296      17.622   6.36 0.071 0.857 0.331 2.689     289.582     360.000       8.195   12 
+    130000       26000.00      39.031      -8.999      30.032   4.81 0.214 0.400 0.309 1.728     354.106     360.000       8.075   12 
+    140000       28000.00      34.598     -16.712      17.886   4.11 0.286 0.429 0.260 1.253     313.894     360.000       8.131   12 
+    150000       30000.00      34.581      -3.974      30.606   6.45 0.000 1.000 0.273 1.237     313.734     360.000      10.689   12 
+    160000       32000.00      42.985      -0.426      42.560   7.84 0.000   NaN   NaN 3.050     389.985     360.000      12.364   12 
+    170000       34000.00      40.425      -1.604      38.821   7.97 0.143 0.333 0.167 3.193     366.755     360.000      10.658   12 
+    180000       36000.00      33.123      -5.194      27.930   7.88 0.071 0.667 0.182 1.084     300.512     360.000      11.761   12 
+    190000       38000.00      33.956       6.274      40.230   6.75 0.143 0.500 0.216 1.328     308.064     360.000       9.602   12 
+    200000       40000.00      45.784       6.273      52.057   7.26 0.000 1.000 0.159 3.227     415.378     360.000       9.922   12 
+    210000       42000.00      34.790      12.319      47.109   4.90 0.000   NaN   NaN 1.617     315.631     400.000      10.429   12 
+    220000       44000.00      39.428       4.447      43.875   6.90 0.000 1.000 0.371 2.227     357.711     400.000       7.683   12 
+    230000       46000.00      38.588       9.514      48.103   6.03 0.000   NaN   NaN 1.349     350.094     400.000      10.476   12 
+    240000       48000.00      45.160       5.301      50.461   7.67 0.000 1.000 0.245 1.720     409.715     400.000       9.182   12 
+    250000       50000.00      33.412      -0.809      32.603   6.29 0.071 0.800 0.327 1.792     303.128     400.000       9.243   12 
+    260000       52000.00      41.738      -3.839      37.899   7.16 0.071 0.500 0.136 2.008     378.666     400.000       9.072   12 
+    270000       54000.00      50.687       3.763      54.451   7.71 0.071 0.000 0.182 2.323     459.861     400.000      10.251   12 
+    280000       56000.00      31.373       5.584      36.958   4.55 0.071 0.500 0.545 1.516     284.634     400.000       8.672   12 
+    290000       58000.00      36.169      -5.551      30.618   5.26 0.000 1.000 0.530 3.889     328.147     400.000       9.029   12 
+    300000       60000.00      40.137       9.932      50.069   7.25 0.000   NaN   NaN 2.218     364.142     400.000      12.723   12 
+    310000       62000.00      44.740      -2.305      42.435   8.43 0.071 0.500 0.182 1.285     405.901     390.000      12.105   12 
+    320000       64000.00      33.812      13.877      47.690   5.90 0.143 0.500 0.375 1.328     306.763     390.000       7.927   12 
+    330000       66000.00      44.771       6.040      50.811   7.56 0.000 1.000 0.273 1.764     406.183     390.000      10.766   12 
+    340000       68000.00      44.233       2.560      46.793   6.39 0.000 1.000 0.500 3.718     401.302     390.000       9.379   12 
+    350000       70000.00      35.840      -0.388      35.452   8.88 0.000 1.000 0.182 1.948     325.155     390.000      12.194   12 
+    360000       72000.00      25.432       0.036      25.468   6.98 0.000 1.000 0.250 1.274     230.731     390.000      10.444   12 
+    370000       74000.00      39.907       1.425      41.331   9.13 0.000   NaN   NaN 1.603     362.053     390.000      12.311   12 
+    380000       76000.00      34.711       6.724      41.435   6.50 0.000 1.000 0.159 2.109     314.916     390.000      10.067   12 
+    390000       78000.00      42.204      -5.098      37.105   5.76 0.000   NaN   NaN 2.047     382.894     390.000       8.907   12 
+    400000       80000.00      35.241       8.420      43.661  12.19 0.000   NaN   NaN 1.914     319.720     390.000      15.839   12 
+    410000       82000.00      45.025       1.742      46.766   4.07 0.143 0.333 0.409 0.835     408.487     380.000       8.449   12 
+    420000       84000.00      40.517       4.371      44.888   8.04 0.071 0.000 0.136 2.371     367.593     380.000      11.257   12 
+    430000       86000.00      39.728       5.052      44.781   7.34 0.000 1.000 0.136 1.925     360.436     380.000      12.151   12 
+    440000       88000.00      39.174      -4.465      34.710   7.43 0.000 1.000 0.136 2.211     355.411     380.000      11.081   12 
+    450000       90000.00      38.623       7.835      46.458  11.19 0.000   NaN   NaN 1.459     350.407     380.000      14.452   12 
+    460000       92000.00      39.839       0.072      39.911   6.56 0.143 0.333 0.152 0.858     361.443     380.000       8.891   12 
+    470000       94000.00      50.711      -3.512      47.199   6.93 0.000 1.000 0.261 1.476     460.075     380.000       7.727   12 
+    480000       96000.00      40.860       5.447      46.307   8.58 0.143 0.600 0.191 4.013     370.706     380.000      10.385   12 
+    490000       98000.00      28.547      -7.256      21.291   7.65 0.000 1.000 0.273 2.001     258.993     380.000      10.989   12 
+    500000      100000.00      35.019       4.843      39.862   5.48 0.071 0.750 0.205 1.537     317.711     380.000       9.384   12 
+    510000      102000.00      33.234       2.143      35.377   7.77 0.000 1.000 0.273 1.178     301.518     370.000      11.258   12 
+    520000      104000.00      35.476     -13.173      22.302   5.21 0.214 0.500 0.364 1.093     321.853     370.000       7.864   12 
+    530000      106000.00      38.330      -6.437      31.893   5.70 0.071 0.500 0.477 1.493     347.752     370.000       9.903   12 
+    540000      108000.00      34.350      -6.636      27.714  11.30 0.071 0.500 0.159 1.260     311.644     370.000      13.892   12 
+    550000      110000.00      33.287       3.548      36.835  10.69 0.000 1.000 0.182 1.549     301.998     370.000      13.633   12 
+    560000      112000.00      37.545       1.814      39.359  10.22 0.000   NaN   NaN 1.182     340.631     370.000      14.914   12 
+    570000      114000.00      41.213       7.712      48.925   8.09 0.000 1.000 0.182 1.683     373.907     370.000       9.366   12 
+    580000      116000.00      38.725       4.669      43.394   4.96 0.000 1.000 0.273 1.079     351.332     370.000       9.687   12 
+    590000      118000.00      36.783       4.963      41.747   7.26 0.071 0.500 0.205 2.018     333.716     370.000       8.944   12 
+    600000      120000.00      47.929      10.129      58.058   5.06 0.000 1.000 0.485 1.947     434.839     370.000       7.386   12 
+    610000      122000.00      42.521      -2.681      39.839   9.41 0.000 1.000 0.136 2.360     385.771     360.000      12.519   12 
+    620000      124000.00      34.011     -11.941      22.070   5.37 0.000 1.000 0.331 1.549     308.564     360.000       7.361   12 
+    630000      126000.00      31.286     -16.746      14.539   6.34 0.071 0.800 0.355 1.486     283.839     360.000       7.990   12 
+    640000      128000.00      33.016       0.942      33.958  10.92 0.071 0.500 0.182 0.879     299.540     360.000      13.495   12 
+    650000      130000.00      29.327      -1.550      27.777   5.25 0.071 0.000 0.182 1.485     266.071     360.000       8.762   12 
+    660000      132000.00      42.735       9.916      52.651   7.03 0.000   NaN   NaN 1.751     387.715     360.000       9.382   12 
+    670000      134000.00      28.250      -7.978      20.272   7.71 0.071 0.833 0.356 1.672     256.298     360.000       9.165   12 
+    680000      136000.00      29.662      -3.074      26.588  10.03 0.000   NaN   NaN 1.485     269.108     360.000      13.415   12 
+    690000      138000.00      35.769      -8.233      27.536   5.94 0.000   NaN   NaN 1.737     324.517     360.000      11.220   12 
+    700000      140000.00      34.574      10.269      44.843  10.08 0.000 1.000 0.136 0.928     313.677     360.000      12.222   12 
+    710000      142000.00      36.689       2.268      38.957   7.80 0.000   NaN   NaN 1.955     332.864     350.000      10.965   12 
+    720000      144000.00      33.339       0.935      34.274  10.59 0.000   NaN   NaN 1.613     302.465     350.000      14.463   12 
+    730000      146000.00      40.101      -4.120      35.981   5.79 0.071 0.500 0.273 2.170     363.818     350.000       8.461   12 
+    740000      148000.00      26.179      -5.170      21.009   9.10 0.000   NaN   NaN 1.669     237.505     350.000      12.814   12 
+    750000      150000.00      33.581       3.317      36.897   7.02 0.000   NaN   NaN 2.784     304.661     350.000      12.350   12 
+    760000      152000.00      37.634     -13.396      24.238   5.98 0.000 1.000 0.273 1.510     341.437     350.000       9.788   12 
+    770000      154000.00      33.575       2.683      36.258  10.76 0.071 0.000 0.136 2.623     304.608     350.000      13.171   12 
+    780000      156000.00      28.930      -0.981      27.950   7.01 0.071 0.750 0.170 1.666     262.472     350.000      10.593   12 
+    790000      158000.00      28.264      -0.382      27.882   5.51 0.071 0.667 0.152 2.997     256.425     350.000       8.557   12 
+    800000      160000.00      29.794     -19.029      10.766   3.94 0.143 0.714 0.351 1.793     270.309     350.000       8.066   12 
+    810000      162000.00      27.077      -3.119      23.958   9.18 0.143 0.000 0.159 2.079     245.660     340.000      11.407   12 
+    820000      164000.00      35.221     -12.572      22.649   5.52 0.000   NaN   NaN 2.355     319.543     340.000      10.327   12 
+    830000      166000.00      35.472     -11.314      24.158   6.18 0.143 0.667 0.348 3.184     321.821     340.000       9.001   12 
+    840000      168000.00      31.147      -5.832      25.315   8.30 0.000 1.000 0.182 2.219     282.578     340.000      12.825   12 
+    850000      170000.00      32.128      -4.069      28.059  10.81 0.000   NaN   NaN 2.888     291.481     340.000      14.650   12 
+    860000      172000.00      28.526      -7.640      20.886   5.74 0.143 0.667 0.303 3.201     258.804     340.000       7.744   12 
+    870000      174000.00      42.097     -16.542      25.555   4.60 0.214 0.727 0.496 1.341     381.929     340.000       7.208   12 
+    880000      176000.00      41.996      -4.400      37.596   4.05 0.071 0.750 0.670 1.884     381.013     340.000       7.963   12 
+    890000      178000.00      30.668     -10.992      19.676   6.17 0.000 1.000 0.273 0.796     278.235     340.000       7.329   12 
+    900000      180000.00      41.216      -6.424      34.792   4.32 0.143 0.750 0.312 3.478     373.930     340.000       8.347   12 
+    910000      182000.00      31.714      -2.781      28.933   6.68 0.071 0.000 0.136 1.080     287.724     350.000      10.674   12 
+    920000      184000.00      32.961      -5.719      27.242   8.98 0.071 0.000 0.136 1.740     299.042     350.000      12.355   12 
+    930000      186000.00      33.974       3.874      37.847   8.02 0.000   NaN   NaN 1.811     308.225     350.000      12.547   12 
+    940000      188000.00      34.671      -3.328      31.343   9.86 0.000 1.000 0.303 1.411     314.554     350.000      12.253   12 
+    950000      190000.00      36.449      -8.489      27.960   5.60 0.000 1.000 0.394 1.736     330.682     350.000       7.852   12 
+    960000      192000.00      24.410     -18.978       5.432   6.38 0.071 0.500 0.364 1.706     221.458     350.000       7.775   12 
+    970000      194000.00      34.373      -6.191      28.182   6.22 0.000   NaN   NaN 1.287     311.849     350.000      11.138   12 
+    980000      196000.00      37.814      -9.678      28.137   5.01 0.143 0.714 0.448 0.993     343.072     350.000       8.614   12 
+    990000      198000.00      35.254      -0.163      35.091   5.98 0.071 0.000 0.136 1.788     319.845     350.000      11.026   12 
+   1000000      200000.00      27.627      -0.517      27.110   6.07 0.000 1.000 0.250 1.714     250.648     350.000       9.418   12