Merge branch 'prerelease-3.2.1' into czarek

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

diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB011.stat b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB011.stat
new file mode 100644 (file)
index 0000000..d3f46d8
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/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      35.584     -12.573      23.011   7.23 0.214 0.400 0.155 1.521     322.837     360.000      10.982   11 
+     20000        4000.00      37.695      -4.975      32.720   5.84 0.071 0.750 0.307 3.189     341.991     360.000       8.012   11 
+     30000        6000.00      34.298       9.855      44.153   4.62 0.000 1.000 0.136 5.556     311.166     360.000       9.055   11 
+     40000        8000.00      41.327      -4.471      36.856   5.91 0.071 0.750 0.295 1.240     374.940     360.000       9.541   11 
+     50000       10000.00      33.686     -13.036      20.650   7.50 0.071 0.500 0.295 2.332     305.613     360.000       9.093   11 
+     60000       12000.00      30.832      -6.806      24.026   6.61 0.214 0.500 0.197 1.576     279.728     360.000       9.152   11 
+     70000       14000.00      36.974     -16.304      20.670   4.53 0.071 0.800 0.336 1.660     335.446     360.000       7.535   11 
+     80000       16000.00      33.447       3.705      37.153   4.65 0.071 0.667 0.364 0.973     303.451     360.000       9.127   11 
+     90000       18000.00      38.659     -14.301      24.359   5.46 0.071 0.750 0.216 0.836     350.739     360.000       8.661   11 
+    100000       20000.00      34.982      -7.748      27.234   5.27 0.000 1.000 0.727 2.010     317.376     360.000       9.105   11 
+    110000       22000.00      33.288     -14.933      18.355   6.19 0.071 0.875 0.318 1.608     302.010     350.000       9.422   11 
+    120000       24000.00      29.726     -12.339      17.387   4.47 0.286 0.333 0.447 2.402     269.693     350.000       7.861   11 
+    130000       26000.00      33.299      -1.795      31.504   6.94 0.071 0.800 0.473 2.016     302.103     350.000       8.605   11 
+    140000       28000.00      38.257      -4.776      33.481   6.56 0.143 0.500 0.216 1.765     347.085     350.000      11.062   11 
+    150000       30000.00      28.885      -0.798      28.087   8.77 0.000   NaN   NaN 1.175     262.060     350.000      11.464   11 
+    160000       32000.00      33.406      -7.776      25.631   5.79 0.000 1.000 0.432 1.318     303.078     350.000       8.606   11 
+    170000       34000.00      34.617     -12.522      22.095   6.45 0.143 0.000 0.159 1.219     314.063     350.000       9.373   11 
+    180000       36000.00      30.754     -18.379      12.376   6.13 0.071 0.833 0.212 0.977     279.020     350.000       9.397   11 
+    190000       38000.00      35.918     -11.426      24.492   5.59 0.071 0.833 0.348 1.888     325.863     350.000       8.014   11 
+    200000       40000.00      25.218      -0.579      24.638   5.86 0.000 1.000 0.527 1.241     228.789     350.000       8.598   11 
+    210000       42000.00      32.995     -21.353      11.642   6.12 0.214 0.571 0.266 1.058     299.349     340.000       8.049   11 
+    220000       44000.00      33.489     -12.692      20.797   5.07 0.214 0.571 0.253 1.856     303.831     340.000       7.447   11 
+    230000       46000.00      37.275      -8.497      28.778   4.57 0.071 0.833 0.447 2.560     338.180     340.000       8.712   11 
+    240000       48000.00      36.970     -17.462      19.508   6.96 0.286 0.556 0.207 1.735     335.410     340.000       8.006   11 
+    250000       50000.00      35.088      -3.444      31.644   6.56 0.143 0.000 0.159 2.091     318.339     340.000      10.421   11 
+    260000       52000.00      37.707      10.852      48.559   8.72 0.071 0.000 0.136 2.058     342.095     340.000      11.122   11 
+    270000       54000.00      35.058     -17.596      17.462   6.03 0.214 0.571 0.364 2.700     318.066     340.000       7.480   11 
+    280000       56000.00      35.102     -12.476      22.626   4.79 0.071 0.750 0.455 1.239     318.463     340.000       7.893   11 
+    290000       58000.00      32.689      -9.121      23.568   6.34 0.071 0.800 0.245 2.702     296.574     340.000       8.175   11 
+    300000       60000.00      29.652      -9.803      19.849   5.25 0.214 0.500 0.492 2.616     269.022     340.000       8.347   11 
+    310000       62000.00      52.001     -17.582      34.419   5.39 0.071 0.800 0.418 1.159     471.779     350.000       9.303   11 
+    320000       64000.00      38.921     -10.094      28.827   7.95 0.143 0.600 0.200 3.510     353.113     350.000       9.762   11 
+    330000       66000.00      31.903       2.852      34.754  10.22 0.071 0.000 0.136 1.011     289.437     350.000      13.068   11 
+    340000       68000.00      42.295      -3.846      38.449   6.21 0.214 0.571 0.188 2.211     383.723     350.000       9.873   11 
+    350000       70000.00      29.252       6.711      35.963   5.62 0.071 0.000 0.136 2.005     265.388     350.000       8.705   11 
+    360000       72000.00      35.570      -9.202      26.367   6.09 0.000 1.000 0.250 1.257     322.708     350.000       9.098   11 
+    370000       74000.00      39.065       7.412      46.477   6.24 0.071 0.667 0.591 2.183     354.421     350.000       9.974   11 
+    380000       76000.00      39.222      -1.492      37.730   6.06 0.000 1.000 0.159 1.507     355.842     350.000       9.631   11 
+    390000       78000.00      24.726       6.459      31.185   8.77 0.071 0.500 0.136 2.857     224.325     350.000      12.510   11 
+    400000       80000.00      34.310      -5.320      28.990  10.04 0.000   NaN   NaN 2.812     311.281     350.000      13.225   11 
+    410000       82000.00      33.166      -3.606      29.560  11.41 0.000   NaN   NaN 1.872     300.897     340.000      15.008   11 
+    420000       84000.00      26.874      -2.182      24.692   6.30 0.000 1.000 0.182 2.727     243.813     340.000       9.947   11 
+    430000       86000.00      40.828      -2.423      38.404   5.95 0.000   NaN   NaN 1.215     370.408     340.000       8.940   11 
+    440000       88000.00      29.008     -13.645      15.363   5.34 0.000 1.000 0.318 1.025     263.173     340.000       7.954   11 
+    450000       90000.00      25.726     -13.348      12.378   4.71 0.143 0.000 0.364 2.729     233.401     340.000       8.624   11 
+    460000       92000.00      36.201      -8.339      27.862   5.47 0.000 1.000 0.197 2.144     328.434     340.000       8.423   11 
+    470000       94000.00      36.322      -3.036      33.286   4.74 0.000 1.000 0.136 2.895     329.531     340.000       9.426   11 
+    480000       96000.00      35.693     -16.601      19.092   7.03 0.143 0.778 0.313 1.557     323.824     340.000       6.948   11 
+    490000       98000.00      31.102     -26.499       4.603   6.43 0.214 0.625 0.250 1.652     282.171     340.000       7.112   11 
+    500000      100000.00      38.495      -5.194      33.301   5.57 0.000   NaN   NaN 1.158     349.248     340.000       9.513   11 
+    510000      102000.00      42.307       9.865      52.172   8.41 0.143 0.000 0.136 2.113     383.832     400.000      12.589   11 
+    520000      104000.00      44.225      -9.117      35.108   8.41 0.071 0.500 0.136 1.756     401.235     400.000      11.335   11 
+    530000      106000.00      45.325       9.164      54.489  11.61 0.000 1.000 0.295 2.158     411.211     400.000      14.365   11 
+    540000      108000.00      30.400      10.648      41.048   8.03 0.071 0.500 0.182 1.979     275.805     400.000      10.895   11 
+    550000      110000.00      40.669       9.257      49.926   9.77 0.143 0.333 0.167 1.378     368.974     400.000      13.074   11 
+    560000      112000.00      41.734       0.228      41.962   7.00 0.000   NaN   NaN 1.826     378.630     400.000      11.126   11 
+    570000      114000.00      37.361      20.704      58.064  10.31 0.071 0.000 0.182 1.400     338.956     400.000      13.904   11 
+    580000      116000.00      41.667      -7.570      34.097   7.77 0.143 0.333 0.136 1.106     378.026     400.000      12.053   11 
+    590000      118000.00      42.150       0.713      42.863   9.88 0.143 0.000 0.159 1.485     382.403     400.000      12.730   11 
+    600000      120000.00      35.175      16.637      51.812   8.22 0.000 1.000 0.227 2.300     319.126     400.000      11.165   11 
+    610000      122000.00      39.429       2.534      41.963   9.38 0.071 0.500 0.159 1.602     357.720     400.000      13.183   11 
+    620000      124000.00      42.618      -0.149      42.469   7.78 0.143 0.333 0.152 1.446     386.650     400.000      10.478   11 
+    630000      126000.00      35.378      -3.130      32.249   9.89 0.000 1.000 0.136 1.966     320.972     400.000      13.320   11 
+    640000      128000.00      43.344       9.346      52.690   6.35 0.000   NaN   NaN 1.923     393.242     400.000      10.169   11 
+    650000      130000.00      45.732       5.135      50.867   9.77 0.000   NaN   NaN 1.733     414.901     400.000      12.343   11 
+    660000      132000.00      37.826      -3.986      33.840   4.99 0.071 0.750 0.409 1.160     343.176     400.000       8.328   11 
+    670000      134000.00      44.542       0.227      44.769   8.21 0.000 1.000 0.136 1.673     404.110     400.000      11.882   11 
+    680000      136000.00      40.466       5.973      46.439   7.53 0.000 1.000 0.500 4.180     367.128     400.000      10.236   11 
+    690000      138000.00      31.531      19.912      51.443   7.49 0.000 1.000 0.182 3.071     286.064     400.000      11.466   11 
+    700000      140000.00      51.194       9.539      60.733  12.23 0.000   NaN   NaN 3.010     464.461     400.000      15.436   11 
+    710000      142000.00      31.531       4.110      35.641  10.53 0.000   NaN   NaN 2.065     286.066     400.000      13.896   11 
+    720000      144000.00      41.237       5.221      46.458   8.35 0.000 1.000 0.136 4.112     374.126     400.000      12.066   11 
+    730000      146000.00      27.200       1.612      28.812   5.19 0.143 0.333 0.318 1.165     246.770     400.000       9.193   11 
+    740000      148000.00      42.726      10.057      52.782   5.74 0.071 0.500 0.500 3.624     387.628     400.000      10.312   11 
+    750000      150000.00      39.004      -1.637      37.367   6.94 0.000 1.000 0.545 2.207     353.867     400.000       7.742   11 
+    760000      152000.00      30.592      12.059      42.650  10.85 0.000   NaN   NaN 2.277     277.543     400.000      14.376   11 
+    770000      154000.00      37.514       1.457      38.971   6.26 0.000 1.000 0.182 2.502     340.350     400.000       9.871   11 
+    780000      156000.00      33.279       8.930      42.209   7.58 0.071 0.500 0.250 4.928     301.921     400.000      11.087   11 
+    790000      158000.00      37.956      10.745      48.701   5.41 0.071 0.500 0.159 2.273     344.355     400.000       9.949   11 
+    800000      160000.00      37.794      10.787      48.581   8.96 0.071 0.500 0.182 2.165     342.885     400.000      12.592   11 
+    810000      162000.00      40.955      -5.388      35.567   9.88 0.000   NaN   NaN 1.412     371.563     400.000      13.755   11 
+    820000      164000.00      38.408       4.438      42.846   8.12 0.071 0.667 0.394 1.346     348.459     400.000      10.875   11 
+    830000      166000.00      47.266     -12.777      34.489   5.11 0.071 0.833 0.303 1.711     428.825     400.000       8.966   11 
+    840000      168000.00      46.058      15.234      61.292   7.41 0.071 0.000 0.136 2.632     417.861     400.000      11.272   11 
+    850000      170000.00      32.720       4.724      37.444   7.67 0.000 1.000 0.318 1.402     296.854     400.000      10.312   11 
+    860000      172000.00      43.858       4.299      48.157   5.85 0.000 1.000 0.227 3.297     397.900     400.000       9.678   11 
+    870000      174000.00      44.391      -5.190      39.201   8.98 0.000   NaN   NaN 3.420     402.736     400.000      13.643   11 
+    880000      176000.00      43.706       6.524      50.230   5.15 0.000 1.000 0.818 1.681     396.523     400.000       9.789   11 
+    890000      178000.00      43.907       5.554      49.461   9.90 0.000 1.000 0.182 1.716     398.345     400.000      12.564   11 
+    900000      180000.00      36.765      11.027      47.791   7.91 0.000 1.000 0.288 1.687     333.547     400.000      11.741   11 
+    910000      182000.00      40.655       3.324      43.979   5.55 0.071 0.000 0.773 0.916     368.841     390.000       9.863   11 
+    920000      184000.00      40.474      -3.526      36.948   5.53 0.000   NaN   NaN 1.297     367.203     390.000       9.470   11 
+    930000      186000.00      37.403      -7.271      30.133   5.26 0.071 0.750 0.545 2.349     339.343     390.000       9.295   11 
+    940000      188000.00      37.357      -0.934      36.423   5.24 0.071 0.500 0.364 1.028     338.923     390.000       9.488   11 
+    950000      190000.00      44.137       8.556      52.693  11.01 0.000   NaN   NaN 1.850     400.432     390.000      15.087   11 
+    960000      192000.00      35.774      -3.923      31.851   8.20 0.000 1.000 0.250 1.259     324.562     390.000      10.095   11 
+    970000      194000.00      43.804      -4.050      39.754   6.71 0.000 1.000 0.379 1.860     397.415     390.000       9.311   11 
+    980000      196000.00      34.359       4.937      39.296   8.61 0.000   NaN   NaN 1.602     311.722     390.000      12.830   11 
+    990000      198000.00      29.829      13.702      43.531   5.73 0.000   NaN   NaN 1.830     270.627     390.000      10.367   11 
+   1000000      200000.00      37.356      -4.593      32.763   8.15 0.000 1.000 0.242 1.638     338.911     390.000      10.119   11