Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / REMD / Berendsen / ff_1l2y / outputs / 1L2Y_REMD_GB010.stat

diff --git a/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB010.stat b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB010.stat
new file mode 100644 (file)
index 0000000..6df6d38
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB010.stat
@@ -0,0 +1,101 @@
+         0           0.00      40.911     113.442     154.352  12.87 0.000   NaN   NaN 4.850     371.162     350.000      15.552   10 
+     10000        2000.00      34.053       7.197      41.249   8.48 0.143 0.333 0.182 0.379     308.944     350.000      11.011   10 
+     20000        4000.00      34.100       8.659      42.759   3.51 0.143 0.500 0.295 0.542     309.377     350.000       8.074   10 
+     30000        6000.00      30.642       6.518      37.160   5.22 0.071 0.667 0.152 0.454     277.997     350.000       8.340   10 
+     40000        8000.00      29.092       1.580      30.672   3.19 0.214 0.400 0.182 0.739     263.938     350.000       7.202   10 
+     50000       10000.00      29.568       4.946      34.514   5.15 0.214 0.625 0.261 1.487     268.257     350.000       8.173   10 
+     60000       12000.00      39.716       2.578      42.294   4.74 0.214 0.500 0.205 0.811     360.327     350.000       7.666   10 
+     70000       14000.00      33.865       2.063      35.928   8.87 0.071 0.800 0.182 0.924     307.243     350.000      10.855   10 
+     80000       16000.00      37.538      -8.092      29.446   5.17 0.143 0.714 0.416 0.544     340.567     350.000       7.819   10 
+     90000       18000.00      29.345      11.322      40.667   4.83 0.214 0.400 0.173 0.459     266.234     350.000       8.615   10 
+    100000       20000.00      31.653       5.103      36.757   5.34 0.143 0.500 0.239 1.360     287.175     350.000       9.460   10 
+    110000       22000.00      28.765      13.113      41.878   6.94 0.071 0.500 0.205 0.692     260.968     380.000      11.038   10 
+    120000       24000.00      39.377      16.459      55.836   7.74 0.000 1.000 0.242 0.770     357.247     380.000      10.640   10 
+    130000       26000.00      31.005       8.202      39.207   8.51 0.071 0.800 0.218 0.371     281.293     380.000      10.476   10 
+    140000       28000.00      39.604      -0.472      39.133   6.46 0.071 0.667 0.197 0.247     359.312     380.000      11.037   10 
+    150000       30000.00      36.809      -0.870      35.939   6.80 0.071 0.750 0.148 0.840     333.949     380.000      10.289   10 
+    160000       32000.00      38.207      19.720      57.927  10.92 0.000 1.000 0.167 0.596     346.630     380.000      14.356   10 
+    170000       34000.00      38.229      10.904      49.132   6.51 0.000 1.000 0.273 0.424     346.830     380.000       9.939   10 
+    180000       36000.00      37.298       2.044      39.342   6.55 0.071 0.667 0.227 0.135     338.384     380.000       8.860   10 
+    190000       38000.00      38.125       7.210      45.335   4.71 0.071 0.500 0.341 0.679     345.893     380.000       7.796   10 
+    200000       40000.00      35.905      11.584      47.489   5.66 0.143 0.800 0.550 0.431     325.745     380.000       8.029   10 
+    210000       42000.00      47.505       0.202      47.706   7.62 0.214 0.500 0.189 0.727     430.987     370.000       8.550   10 
+    220000       44000.00      38.048      -4.205      33.843   4.87 0.214 0.667 0.258 0.691     345.190     370.000       7.607   10 
+    230000       46000.00      41.142      -5.761      35.380   4.91 0.071 0.800 0.582 0.751     373.259     370.000       7.709   10 
+    240000       48000.00      30.930      11.143      42.073   6.03 0.000 1.000 0.500 0.661     280.614     370.000       7.920   10 
+    250000       50000.00      37.953       1.167      39.120   4.04 0.214 0.750 0.413 0.302     344.331     370.000       6.464   10 
+    260000       52000.00      32.514      13.634      46.148   5.42 0.143 0.600 0.209 0.324     294.984     370.000       8.986   10 
+    270000       54000.00      35.173      10.324      45.497   8.14 0.071 0.800 0.182 0.268     319.105     370.000      10.064   10 
+    280000       56000.00      37.991       1.184      39.175   4.94 0.071 0.889 0.328 0.222     344.674     370.000       7.436   10 
+    290000       58000.00      45.677      -0.217      45.460   5.23 0.071 0.833 0.189 1.277     414.403     370.000       8.621   10 
+    300000       60000.00      39.445       4.549      43.994   8.30 0.143 0.600 0.173 0.303     357.862     370.000       9.044   10 
+    310000       62000.00      35.992       1.878      37.870   7.72 0.071 0.500 0.205 0.992     326.537     360.000      11.174   10 
+    320000       64000.00      39.846       6.363      46.209   7.10 0.071 0.800 0.182 0.502     361.501     360.000       9.883   10 
+    330000       66000.00      49.528      -5.575      43.953   5.92 0.143 0.714 0.403 0.908     449.343     360.000       7.734   10 
+    340000       68000.00      34.667      -6.901      27.767   4.67 0.286 0.500 0.188 0.989     314.520     360.000       7.628   10 
+    350000       70000.00      41.621       4.777      46.398   7.41 0.000 1.000 0.200 0.401     377.611     360.000       9.756   10 
+    360000       72000.00      39.599       9.230      48.828   7.39 0.000 1.000 0.273 0.921     359.258     360.000       9.185   10 
+    370000       74000.00      40.366       8.858      49.224   7.82 0.000 1.000 0.220 0.339     366.220     360.000       8.363   10 
+    380000       76000.00      32.244       8.441      40.684   5.94 0.000 1.000 0.182 0.686     292.531     360.000       8.934   10 
+    390000       78000.00      41.006       4.373      45.379   5.79 0.071 0.667 0.212 0.571     372.025     360.000       8.225   10 
+    400000       80000.00      36.282       9.122      45.404   8.03 0.071 0.667 0.167 0.533     329.172     360.000      10.845   10 
+    410000       82000.00      38.142       7.891      46.033   5.47 0.000 1.000 0.227 0.463     346.045     350.000       9.416   10 
+    420000       84000.00      42.433      -2.455      39.978   6.84 0.143 0.500 0.193 0.166     384.977     350.000      10.361   10 
+    430000       86000.00      34.791     -11.658      23.133   4.31 0.286 0.600 0.218 0.550     315.640     350.000       7.712   10 
+    440000       88000.00      39.125       3.266      42.391   5.13 0.143 0.667 0.295 0.572     354.964     350.000       8.150   10 
+    450000       90000.00      31.472       6.153      37.625   7.61 0.000 1.000 0.159 0.512     285.532     350.000      10.570   10 
+    460000       92000.00      31.078      -5.903      25.174   5.29 0.143 0.833 0.250 0.524     281.952     350.000       8.259   10 
+    470000       94000.00      31.257      -3.618      27.639   3.28 0.214 0.571 0.331 0.362     283.578     350.000       7.006   10 
+    480000       96000.00      46.724       3.609      50.333   4.30 0.214 0.667 0.318 0.241     423.906     350.000       7.333   10 
+    490000       98000.00      36.457      -3.440      33.016   6.84 0.143 0.800 0.209 0.359     330.755     350.000       9.366   10 
+    500000      100000.00      38.643       5.995      44.638   4.49 0.214 0.625 0.278 0.661     350.590     350.000       9.274   10 
+    510000      102000.00      39.312      -4.184      35.129   6.33 0.214 0.769 0.266 0.181     356.660     400.000       7.074   10 
+    520000      104000.00      47.231       3.298      50.528   6.53 0.000 1.000 0.364 1.585     428.500     400.000       8.572   10 
+    530000      106000.00      34.729      14.537      49.266   6.31 0.143 0.600 0.155 1.222     315.082     400.000       9.375   10 
+    540000      108000.00      42.233       6.711      48.943   4.54 0.071 0.667 0.258 0.367     383.155     400.000       7.956   10 
+    550000      110000.00      44.851      12.256      57.107   5.07 0.000 1.000 0.420 0.592     406.915     400.000       8.366   10 
+    560000      112000.00      33.798      22.541      56.338   6.10 0.143 0.800 0.300 1.093     306.629     400.000       8.340   10 
+    570000      114000.00      36.698      17.711      54.409   3.94 0.071 0.750 0.420 0.889     332.941     400.000       8.259   10 
+    580000      116000.00      32.411      14.922      47.332   7.27 0.071 0.750 0.170 0.428     294.046     400.000      10.263   10 
+    590000      118000.00      44.167      11.231      55.398  10.90 0.000   NaN   NaN 0.297     400.704     400.000      14.902   10 
+    600000      120000.00      39.777       6.130      45.906   6.58 0.143 0.667 0.470 0.458     360.876     400.000       7.598   10 
+    610000      122000.00      56.207      12.368      68.575   6.22 0.000 1.000 0.409 1.387     509.939     390.000       8.755   10 
+    620000      124000.00      41.773       9.906      51.680   4.50 0.000 1.000 0.264 0.807     378.990     390.000       9.013   10 
+    630000      126000.00      40.771       8.867      49.638   9.50 0.143 0.333 0.152 0.429     369.897     390.000      13.048   10 
+    640000      128000.00      41.026       9.631      50.657   6.07 0.000 1.000 0.295 0.771     372.211     390.000      10.750   10 
+    650000      130000.00      39.372       8.867      48.239   6.29 0.071 0.833 0.371 0.302     357.203     390.000       7.902   10 
+    660000      132000.00      44.578      11.719      56.297   7.18 0.143 0.000 0.159 0.466     404.436     390.000      10.072   10 
+    670000      134000.00      35.957       0.220      36.177   7.72 0.000 1.000 0.136 0.766     326.217     390.000      12.179   10 
+    680000      136000.00      35.279      22.511      57.789   5.95 0.071 0.000 0.136 0.746     320.065     390.000      10.823   10 
+    690000      138000.00      41.680       2.976      44.656   6.15 0.071 0.889 0.439 0.396     378.141     390.000       7.347   10 
+    700000      140000.00      46.853      12.955      59.808   6.38 0.143 0.000 0.159 1.063     425.071     390.000      10.762   10 
+    710000      142000.00      39.304       9.196      48.499   6.12 0.000 1.000 0.341 0.717     356.584     380.000       7.940   10 
+    720000      144000.00      30.433      10.851      41.284   8.04 0.000 1.000 0.227 0.639     276.106     380.000      10.369   10 
+    730000      146000.00      51.066      -0.248      50.818   6.47 0.000 1.000 0.331 0.495     463.301     380.000       7.863   10 
+    740000      148000.00      51.932      -0.879      51.053   7.25 0.071 0.833 0.220 0.242     471.155     380.000       8.465   10 
+    750000      150000.00      35.498      10.324      45.823   7.21 0.000 1.000 0.136 0.570     322.060     380.000       8.729   10 
+    760000      152000.00      36.450      12.409      48.858   7.13 0.000 1.000 0.268 0.962     330.690     380.000       8.695   10 
+    770000      154000.00      44.004      19.667      63.670   6.11 0.071 0.000 0.136 0.651     399.225     380.000      10.803   10 
+    780000      156000.00      45.343      13.133      58.475   4.88 0.214 0.625 0.364 0.543     411.371     380.000       7.350   10 
+    790000      158000.00      30.157      11.846      42.003   4.26 0.143 0.800 0.318 0.730     273.600     380.000       7.551   10 
+    800000      160000.00      33.965      10.508      44.473   6.67 0.071 0.833 0.280 0.596     308.146     380.000       8.033   10 
+    810000      162000.00      36.903       5.228      42.131   6.99 0.071 0.000 0.136 1.058     334.804     370.000      11.236   10 
+    820000      164000.00      40.417      -5.694      34.723   6.21 0.143 0.714 0.318 0.686     366.684     370.000       6.904   10 
+    830000      166000.00      37.380       9.137      46.517   7.24 0.143 0.667 0.189 0.670     339.130     370.000      10.697   10 
+    840000      168000.00      40.163       0.963      41.127   8.50 0.143 0.600 0.264 0.407     364.383     370.000      11.199   10 
+    850000      170000.00      32.697       6.704      39.401   7.50 0.071 0.857 0.357 0.884     296.646     370.000       8.879   10 
+    860000      172000.00      33.118      11.701      44.819   5.01 0.071 0.500 0.250 0.855     300.464     370.000       7.619   10 
+    870000      174000.00      36.232       7.768      44.000   7.21 0.071 0.750 0.227 0.245     328.715     370.000       9.159   10 
+    880000      176000.00      36.847       6.578      43.425   4.35 0.000 1.000 0.494 0.858     334.292     370.000       7.413   10 
+    890000      178000.00      33.372       5.457      38.829   5.27 0.214 0.500 0.197 0.627     302.771     370.000       8.549   10 
+    900000      180000.00      35.738      13.759      49.497   5.06 0.071 0.000 0.136 0.132     324.236     370.000       8.614   10 
+    910000      182000.00      34.224       4.826      39.050   7.11 0.000 1.000 0.313 0.202     310.502     400.000       7.068   10 
+    920000      184000.00      39.372      13.256      52.628  10.74 0.000 1.000 0.227 0.522     357.206     400.000      13.187   10 
+    930000      186000.00      41.505      12.483      53.988   6.92 0.071 0.667 0.167 0.681     376.553     400.000       9.806   10 
+    940000      188000.00      38.151      10.122      48.273   6.58 0.000 1.000 0.330 0.777     346.126     400.000       9.773   10 
+    950000      190000.00      32.203      15.583      47.786   9.45 0.000   NaN   NaN 0.952     292.160     400.000      13.186   10 
+    960000      192000.00      42.583       2.332      44.916   5.02 0.214 0.571 0.156 0.330     386.339     400.000       7.477   10 
+    970000      194000.00      37.293      28.051      65.343   7.28 0.000 1.000 0.227 0.651     338.339     400.000      11.026   10 
+    980000      196000.00      37.808       7.827      45.634   4.78 0.143 0.600 0.327 0.398     343.012     400.000       7.942   10 
+    990000      198000.00      40.762      12.224      52.986   6.57 0.143 0.500 0.205 0.557     369.818     400.000       8.674   10 
+   1000000      200000.00      35.850       4.907      40.756   7.51 0.071 0.500 0.182 0.732     325.246     400.000       9.934   10