Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / REMD / Berendsen / ff_1l2y / outputs / 1L2Y_REMD_GB008.stat

diff --git a/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB008.stat b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB008.stat
new file mode 100644 (file)
index 0000000..cf1b8c5
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB008.stat
@@ -0,0 +1,101 @@
+         0           0.00      38.701     114.043     152.744  12.87 0.000   NaN   NaN 4.850     351.119     330.000      15.552    8 
+     10000        2000.00      33.099       0.911      34.009   4.12 0.071 0.875 0.432 0.333     300.287     330.000       7.902    8 
+     20000        4000.00      29.067      -7.027      22.040   5.74 0.286 0.333 0.152 0.644     263.710     330.000       8.693    8 
+     30000        6000.00      30.460     -11.749      18.711   3.98 0.071 0.750 0.170 0.489     276.349     330.000       7.820    8 
+     40000        8000.00      38.376     -10.848      27.528   4.15 0.071 0.833 0.288 0.338     348.171     330.000       7.762    8 
+     50000       10000.00      33.062     -12.442      20.621   5.61 0.000 1.000 0.354 0.575     299.959     330.000       7.603    8 
+     60000       12000.00      31.124     -11.185      19.940   3.99 0.071 0.929 0.386 0.607     282.375     330.000       7.015    8 
+     70000       14000.00      30.269     -14.107      16.162   5.39 0.286 0.636 0.264 0.611     274.616     330.000       7.372    8 
+     80000       16000.00      37.570     -12.950      24.619   3.03 0.214 0.625 0.182 0.158     340.850     330.000       7.321    8 
+     90000       18000.00      34.093       3.129      37.222   7.65 0.000 1.000 0.258 0.332     309.307     330.000      10.038    8 
+    100000       20000.00      35.133      -5.018      30.114   3.79 0.143 0.833 0.326 0.783     318.742     330.000       6.942    8 
+    110000       22000.00      33.114       3.485      36.599   7.94 0.071 0.667 0.152 0.752     300.429     330.000      10.969    8 
+    120000       24000.00      30.112     -15.968      14.145   5.36 0.214 0.667 0.308 0.159     273.194     330.000       6.904    8 
+    130000       26000.00      34.636     -12.261      22.375   5.35 0.071 0.909 0.306 0.592     314.239     330.000       7.017    8 
+    140000       28000.00      36.143      -9.732      26.411   4.35 0.143 0.778 0.359 0.535     327.910     330.000       7.639    8 
+    150000       30000.00      27.734     -13.427      14.307   4.99 0.000 1.000 0.455 0.865     251.616     330.000       7.131    8 
+    160000       32000.00      32.605      -1.820      30.785   7.30 0.071 0.833 0.242 0.511     295.811     330.000       6.917    8 
+    170000       34000.00      38.232      -8.029      30.203   4.05 0.214 0.625 0.233 0.278     346.859     330.000       7.000    8 
+    180000       36000.00      26.083      -1.441      24.642   5.59 0.143 0.667 0.311 0.464     236.641     330.000       7.536    8 
+    190000       38000.00      37.996      -5.986      32.010   5.27 0.000 1.000 0.318 0.600     344.721     330.000       8.085    8 
+    200000       40000.00      38.872      -1.491      37.382   5.54 0.000 1.000 0.288 0.562     352.671     330.000       8.157    8 
+    210000       42000.00      33.314      -2.850      30.464   6.26 0.143 0.667 0.326 0.812     302.243     340.000       8.864    8 
+    220000       44000.00      33.846      -0.067      33.778   6.34 0.143 0.500 0.193 0.554     307.067     340.000       9.458    8 
+    230000       46000.00      30.124       0.519      30.642   4.64 0.000 1.000 0.212 0.276     273.297     340.000       8.057    8 
+    240000       48000.00      44.196      -3.740      40.456   5.59 0.214 0.727 0.393 0.406     400.967     340.000       7.184    8 
+    250000       50000.00      28.394       5.663      34.057   5.03 0.071 0.800 0.309 0.293     257.608     340.000       8.910    8 
+    260000       52000.00      39.765      15.431      55.196   5.41 0.071 0.750 0.182 0.206     360.769     340.000       8.908    8 
+    270000       54000.00      30.802     -17.519      13.284   4.62 0.143 0.857 0.383 0.464     279.455     340.000       6.395    8 
+    280000       56000.00      27.013       4.760      31.773   5.69 0.214 0.667 0.192 0.674     245.078     340.000       9.138    8 
+    290000       58000.00      34.501      -1.102      33.400   3.45 0.286 0.600 0.282 0.559     313.013     340.000       7.115    8 
+    300000       60000.00      35.968       4.683      40.651   4.90 0.071 0.857 0.266 1.403     326.318     340.000       7.731    8 
+    310000       62000.00      36.790      23.781      60.572   7.00 0.000   NaN   NaN 0.454     333.780     380.000      10.501    8 
+    320000       64000.00      35.818       8.220      44.037   7.63 0.143 0.667 0.220 0.739     324.957     380.000      10.084    8 
+    330000       66000.00      35.928       2.389      38.317   4.33 0.000 1.000 0.273 0.176     325.956     380.000       8.831    8 
+    340000       68000.00      45.440       4.549      49.989   7.10 0.000 1.000 0.189 0.339     412.252     380.000       9.746    8 
+    350000       70000.00      45.679       6.096      51.775   5.27 0.143 0.667 0.583 0.276     414.428     380.000       7.644    8 
+    360000       72000.00      48.530      -4.615      43.916   4.63 0.143 0.714 0.227 0.779     440.293     380.000       7.979    8 
+    370000       74000.00      36.407       3.563      39.970   5.53 0.071 0.857 0.403 0.707     330.306     380.000       7.914    8 
+    380000       76000.00      37.422      -6.042      31.380   4.88 0.143 0.600 0.227 0.561     339.516     380.000       7.614    8 
+    390000       78000.00      40.214       4.932      45.146   5.44 0.071 0.500 0.205 0.413     364.846     380.000       9.723    8 
+    400000       80000.00      46.173      14.750      60.923   5.40 0.000 1.000 0.705 0.601     418.909     380.000       8.755    8 
+    410000       82000.00      35.058      14.117      49.175   7.82 0.071 0.500 0.182 0.638     318.063     400.000      12.301    8 
+    420000       84000.00      43.729       8.043      51.772   5.46 0.071 0.900 0.414 0.470     396.736     400.000       6.759    8 
+    430000       86000.00      38.562       5.629      44.192   4.03 0.071 0.750 0.148 0.394     349.858     400.000       8.228    8 
+    440000       88000.00      31.383       9.084      40.468   3.97 0.214 0.571 0.331 0.212     284.725     400.000       7.962    8 
+    450000       90000.00      49.400      18.289      67.690   6.56 0.071 0.000 0.182 0.286     448.187     400.000      10.641    8 
+    460000       92000.00      42.769      -3.248      39.521   6.06 0.071 0.857 0.188 0.362     388.019     400.000       9.511    8 
+    470000       94000.00      41.732      13.192      54.924   5.30 0.071 0.833 0.220 0.213     378.615     400.000       8.030    8 
+    480000       96000.00      48.084      15.409      63.493   4.17 0.071 0.500 0.455 0.836     436.243     400.000       8.554    8 
+    490000       98000.00      42.419      18.377      60.796   6.91 0.071 0.833 0.318 0.921     384.850     400.000       7.837    8 
+    500000      100000.00      41.319       2.762      44.081   4.02 0.071 0.857 0.227 0.436     374.863     400.000       8.098    8 
+    510000      102000.00      34.719       9.062      43.781   5.80 0.000 1.000 0.358 1.309     314.988     390.000       8.536    8 
+    520000      104000.00      46.230      10.836      57.067   7.92 0.000 1.000 0.182 0.976     419.425     390.000      10.898    8 
+    530000      106000.00      38.266       7.544      45.809   9.59 0.000 1.000 0.295 0.480     347.164     390.000      12.372    8 
+    540000      108000.00      53.886      18.797      72.684   8.26 0.143 0.500 0.170 0.365     488.884     390.000       9.620    8 
+    550000      110000.00      32.807       9.120      41.927   4.70 0.071 0.750 0.182 0.433     297.643     390.000       7.964    8 
+    560000      112000.00      35.997      10.549      46.546   6.49 0.000 1.000 0.273 0.392     326.581     390.000      10.360    8 
+    570000      114000.00      35.276       9.759      45.036   6.52 0.143 0.600 0.209 1.059     320.046     390.000       8.208    8 
+    580000      116000.00      40.493      10.034      50.527   6.45 0.071 0.500 0.159 1.159     367.371     390.000      11.463    8 
+    590000      118000.00      42.518       7.697      50.215   6.93 0.000 1.000 0.258 0.354     385.746     390.000       9.788    8 
+    600000      120000.00      42.091      17.264      59.355   7.61 0.071 0.500 0.159 0.373     381.870     390.000      10.779    8 
+    610000      122000.00      42.132       5.319      47.451   7.02 0.000 1.000 0.182 1.039     382.242     400.000      11.011    8 
+    620000      124000.00      35.888      18.206      54.094   5.40 0.000 1.000 0.341 0.867     325.594     400.000       9.019    8 
+    630000      126000.00      34.442      19.807      54.248   8.48 0.143 0.000 0.136 0.528     312.474     400.000      11.835    8 
+    640000      128000.00      36.554      20.991      57.545   5.44 0.071 0.667 0.212 0.229     331.641     400.000       9.313    8 
+    650000      130000.00      40.734       9.535      50.268   5.49 0.143 0.750 0.330 0.659     369.556     400.000       7.394    8 
+    660000      132000.00      36.544      12.872      49.417   6.97 0.071 0.000 0.136 0.696     331.551     400.000      11.107    8 
+    670000      134000.00      38.753       8.803      47.556   7.99 0.071 0.500 0.250 0.520     351.588     400.000      11.516    8 
+    680000      136000.00      40.148      17.889      58.037   8.23 0.143 0.500 0.227 0.810     364.240     400.000      10.176    8 
+    690000      138000.00      39.501       7.699      47.201   5.71 0.214 0.250 0.170 0.360     358.377     400.000       8.588    8 
+    700000      140000.00      42.038      10.089      52.127   6.32 0.071 0.667 0.212 1.488     381.392     400.000       9.908    8 
+    710000      142000.00      34.947      -0.704      34.243   4.23 0.143 0.778 0.439 0.789     317.060     390.000       7.254    8 
+    720000      144000.00      42.794      13.245      56.039   6.54 0.000 1.000 0.394 0.191     388.249     390.000       9.365    8 
+    730000      146000.00      44.414      12.660      57.075   4.97 0.071 0.889 0.439 1.267     402.949     390.000       7.339    8 
+    740000      148000.00      36.540      11.918      48.458   7.05 0.071 0.750 0.239 0.651     331.509     390.000       9.243    8 
+    750000      150000.00      41.360      14.156      55.516   5.92 0.000   NaN   NaN 0.668     375.239     390.000       8.992    8 
+    760000      152000.00      33.452      -6.366      27.087   7.47 0.143 0.600 0.209 0.496     303.497     390.000       8.417    8 
+    770000      154000.00      41.426       3.366      44.792   6.65 0.214 0.000 0.136 0.572     375.837     390.000       9.732    8 
+    780000      156000.00      34.997      10.645      45.642   6.40 0.000 1.000 0.227 0.604     317.515     390.000      10.448    8 
+    790000      158000.00      43.667       7.874      51.541   5.46 0.214 0.667 0.278 0.658     396.169     390.000       7.791    8 
+    800000      160000.00      36.252       4.066      40.318   6.71 0.214 0.571 0.221 0.626     328.896     390.000       8.986    8 
+    810000      162000.00      39.506      10.244      49.750   5.55 0.071 0.857 0.357 0.593     358.416     380.000       8.174    8 
+    820000      164000.00      42.893       1.239      44.131   6.03 0.071 0.800 0.245 0.380     389.143     380.000       7.637    8 
+    830000      166000.00      33.682       9.439      43.121   6.40 0.071 0.800 0.309 0.729     305.579     380.000       7.987    8 
+    840000      168000.00      41.757      17.474      59.231   6.58 0.286 0.500 0.188 0.465     378.846     380.000       8.131    8 
+    850000      170000.00      43.355      15.798      59.153   8.62 0.071 0.500 0.182 0.569     393.336     380.000      11.639    8 
+    860000      172000.00      39.876      17.908      57.784   4.98 0.071 0.750 0.239 0.422     361.773     380.000       9.569    8 
+    870000      174000.00      42.541      11.877      54.418   6.03 0.000 1.000 0.305 0.777     385.956     380.000       8.661    8 
+    880000      176000.00      35.107      14.965      50.072   6.58 0.214 0.400 0.200 1.161     318.508     380.000       9.754    8 
+    890000      178000.00      38.742      10.248      48.990   5.75 0.143 0.818 0.343 1.357     351.487     380.000       7.034    8 
+    900000      180000.00      33.312       8.379      41.691   6.59 0.071 0.833 0.174 0.631     302.221     380.000      10.183    8 
+    910000      182000.00      36.321       5.409      41.730   6.91 0.071 0.857 0.370 0.909     329.522     370.000       7.598    8 
+    920000      184000.00      38.438      12.895      51.333   7.01 0.000 1.000 0.182 0.378     348.726     370.000      10.857    8 
+    930000      186000.00      33.578       2.750      36.328   4.54 0.143 0.667 0.318 0.284     304.633     370.000       7.924    8 
+    940000      188000.00      33.877      16.390      50.267   5.81 0.071 0.667 0.288 0.885     307.350     370.000       8.736    8 
+    950000      190000.00      38.919       4.502      43.421   8.82 0.000 1.000 0.159 0.593     353.089     370.000      12.192    8 
+    960000      192000.00      26.367      -2.012      24.356   6.58 0.000 1.000 0.239 0.625     239.218     370.000       8.965    8 
+    970000      194000.00      40.749      -2.182      38.567   5.91 0.214 0.700 0.382 0.969     369.699     370.000       6.933    8 
+    980000      196000.00      40.400       9.367      49.766   4.19 0.071 0.000 0.136 0.482     366.525     370.000       8.593    8 
+    990000      198000.00      44.987       9.830      54.817   8.86 0.214 0.000 0.167 0.454     408.148     370.000      11.029    8 
+   1000000      200000.00      43.425       3.819      47.244   7.64 0.214 0.500 0.182 1.007     393.975     370.000       9.042    8