Merge branch 'prerelease-3.2.1' into czarek

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

diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB008.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB008.stat
new file mode 100644 (file)
index 0000000..4a2f379
--- /dev/null
+++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB008.stat
@@ -0,0 +1,101 @@
+         0           0.00      38.347     666.376     704.723   0.00 1.000 0.000 0.308 8.658     347.903     330.000       7.001    8 
+     10000        2000.00      35.510     -16.560      18.950   6.71 0.071 0.857 0.377 0.756     322.162     330.000       8.214    8 
+     20000        4000.00      31.866      -8.456      23.410   4.86 0.143 0.778 0.480 1.314     289.103     330.000       8.012    8 
+     30000        6000.00      35.242     -14.204      21.038   5.76 0.071 0.800 0.245 0.868     319.736     330.000       8.692    8 
+     40000        8000.00      36.367     -10.962      25.405   4.08 0.143 0.714 0.416 2.967     329.939     330.000       7.974    8 
+     50000       10000.00      37.685     -16.556      21.129   6.38 0.071 0.833 0.189 0.913     341.902     330.000       9.025    8 
+     60000       12000.00      30.048      -7.927      22.121   5.59 0.071 0.800 0.518 2.334     272.610     330.000       7.831    8 
+     70000       14000.00      27.880     -16.351      11.529   4.47 0.286 0.333 0.303 1.386     252.942     330.000       7.544    8 
+     80000       16000.00      31.178     -14.710      16.468   4.13 0.143 0.667 0.356 2.998     282.867     330.000       7.976    8 
+     90000       18000.00      33.903     -19.687      14.216   4.65 0.214 0.727 0.269 1.644     307.585     330.000       7.383    8 
+    100000       20000.00      37.283     -14.825      22.459   3.91 0.214 0.700 0.391 2.243     338.254     330.000       7.400    8 
+    110000       22000.00      32.714     -33.934      -1.219   4.36 0.286 0.667 0.337 1.576     296.802     320.000       6.732    8 
+    120000       24000.00      29.860     -28.316       1.544   3.73 0.214 0.727 0.343 2.885     270.903     320.000       6.487    8 
+    130000       26000.00      34.781     -26.253       8.528   4.23 0.143 0.818 0.335 1.549     315.549     320.000       6.855    8 
+    140000       28000.00      33.688     -18.047      15.641   4.82 0.286 0.429 0.175 2.268     305.636     320.000       7.987    8 
+    150000       30000.00      27.092     -33.141      -6.049   5.12 0.214 0.750 0.345 1.224     245.793     320.000       6.940    8 
+    160000       32000.00      30.319     -36.724      -6.405   3.38 0.143 0.846 0.399 1.846     275.070     320.000       6.403    8 
+    170000       34000.00      33.631     -21.743      11.888   4.04 0.143 0.833 0.394 1.525     305.117     320.000       7.235    8 
+    180000       36000.00      26.680     -25.245       1.434   4.82 0.286 0.556 0.460 1.382     242.052     320.000       7.614    8 
+    190000       38000.00      39.126     -20.912      18.214   5.08 0.214 0.250 0.261 1.787     354.973     320.000       7.892    8 
+    200000       40000.00      36.046       1.723      37.769   4.71 0.071 0.857 0.396 1.288     327.024     320.000       8.133    8 
+    210000       42000.00      37.368       9.923      47.291   5.16 0.071 0.500 0.205 1.344     339.020     400.000       8.569    8 
+    220000       44000.00      40.833      -5.705      35.128   7.67 0.071 0.500 0.159 1.950     370.456     400.000      10.842    8 
+    230000       46000.00      39.940       9.989      49.929   4.75 0.000 1.000 0.182 1.467     362.355     400.000       9.600    8 
+    240000       48000.00      43.952       4.834      48.786   5.73 0.000 1.000 0.227 1.459     398.758     400.000       8.475    8 
+    250000       50000.00      33.813       9.172      42.985   8.39 0.000 1.000 0.182 1.495     306.768     400.000      12.032    8 
+    260000       52000.00      41.913      -0.434      41.479   5.29 0.071 0.800 0.400 3.263     380.254     400.000       8.724    8 
+    270000       54000.00      38.970      11.815      50.785   6.44 0.000 1.000 0.159 1.757     353.555     400.000      10.959    8 
+    280000       56000.00      34.799       6.649      41.448   9.52 0.071 0.000 0.182 2.570     315.710     400.000      12.694    8 
+    290000       58000.00      41.338       4.012      45.350   7.35 0.000 1.000 0.167 0.997     375.041     400.000      12.180    8 
+    300000       60000.00      38.246       9.266      47.512   6.40 0.000 1.000 0.159 1.965     346.989     400.000       9.965    8 
+    310000       62000.00      39.187      -2.364      36.823   6.73 0.143 0.714 0.364 2.022     355.527     390.000       9.261    8 
+    320000       64000.00      37.020     -11.654      25.366   5.72 0.071 0.667 0.303 1.056     335.865     390.000       8.428    8 
+    330000       66000.00      28.751      16.188      44.940   5.80 0.071 0.500 0.159 1.558     260.848     390.000      10.516    8 
+    340000       68000.00      43.359      -1.029      42.330   5.25 0.071 0.833 0.341 2.695     393.374     390.000       8.557    8 
+    350000       70000.00      42.126       6.533      48.659   3.81 0.071 0.833 0.508 1.957     382.193     390.000       7.709    8 
+    360000       72000.00      51.060       2.141      53.200   5.19 0.000   NaN   NaN 2.592     463.239     390.000      10.166    8 
+    370000       74000.00      37.522       0.323      37.845  11.10 0.071 0.500 0.159 0.796     340.415     390.000      14.946    8 
+    380000       76000.00      35.429       0.812      36.241   8.32 0.000 1.000 0.182 1.963     321.429     390.000      11.904    8 
+    390000       78000.00      37.182      -0.540      36.642   7.10 0.000 1.000 0.227 1.117     337.333     390.000       9.950    8 
+    400000       80000.00      41.767       8.318      50.086   5.04 0.071 0.750 0.273 2.003     378.936     390.000       8.557    8 
+    410000       82000.00      31.495      -9.564      21.931   5.14 0.214 0.625 0.307 1.461     285.736     400.000       7.641    8 
+    420000       84000.00      39.769      12.759      52.528   7.39 0.000   NaN   NaN 3.601     360.806     400.000      11.559    8 
+    430000       86000.00      43.204     -10.578      32.627   4.80 0.143 0.667 0.402 1.120     391.973     400.000       7.164    8 
+    440000       88000.00      32.274       0.433      32.707   4.22 0.143 0.500 0.602 1.786     292.804     400.000       7.866    8 
+    450000       90000.00      40.895       2.035      42.930   4.93 0.000 1.000 0.197 1.638     371.025     400.000       8.502    8 
+    460000       92000.00      34.645       2.568      37.213   5.33 0.000 1.000 0.273 2.132     314.318     400.000       8.391    8 
+    470000       94000.00      45.885       1.573      47.458   5.05 0.000 1.000 0.464 1.199     416.291     400.000       7.697    8 
+    480000       96000.00      43.655       4.167      47.822   9.26 0.143 0.000 0.159 3.607     396.061     400.000      12.197    8 
+    490000       98000.00      40.954      12.771      53.724   7.18 0.000 1.000 0.545 1.408     371.554     400.000       9.786    8 
+    500000      100000.00      38.690      -7.065      31.625  10.74 0.071 0.500 0.159 1.202     351.017     400.000      13.210    8 
+    510000      102000.00      32.394      -2.400      29.994   7.12 0.000 1.000 0.364 1.657     293.897     390.000       9.209    8 
+    520000      104000.00      43.975       3.558      47.533   7.58 0.000 1.000 0.273 2.449     398.961     390.000      10.274    8 
+    530000      106000.00      35.417       1.975      37.392   5.24 0.071 0.800 0.255 1.951     321.322     390.000       7.975    8 
+    540000      108000.00      45.882      11.063      56.944   4.94 0.071 0.667 0.273 2.400     416.262     390.000       9.426    8 
+    550000      110000.00      31.911       7.733      39.644   5.69 0.071 0.667 0.227 2.638     289.515     390.000       9.582    8 
+    560000      112000.00      30.244      -3.571      26.673   7.02 0.000   NaN   NaN 1.174     274.387     390.000      11.679    8 
+    570000      114000.00      41.127      -0.051      41.077   4.93 0.071 0.000 0.136 3.319     373.129     390.000       9.100    8 
+    580000      116000.00      36.989       5.200      42.189   5.82 0.000 1.000 0.258 2.374     335.585     390.000       8.902    8 
+    590000      118000.00      39.040      -4.410      34.630   9.26 0.000 1.000 0.182 1.276     354.188     390.000      13.594    8 
+    600000      120000.00      42.841      -4.837      38.004   6.42 0.000   NaN   NaN 1.825     388.673     390.000      10.288    8 
+    610000      122000.00      38.631      12.949      51.581   5.63 0.071 0.750 0.148 2.244     350.485     380.000      10.027    8 
+    620000      124000.00      28.255      -6.634      21.622   8.24 0.000 1.000 0.227 2.660     256.347     380.000      11.670    8 
+    630000      126000.00      31.136       4.494      35.630   9.45 0.000   NaN   NaN 1.584     282.483     380.000      12.211    8 
+    640000      128000.00      33.900      -2.046      31.854   6.89 0.071 0.500 0.136 1.840     307.554     380.000      11.127    8 
+    650000      130000.00      47.521      -5.186      42.335   5.65 0.071 0.800 0.400 4.791     431.131     380.000       8.012    8 
+    660000      132000.00      34.903     -10.108      24.795   4.25 0.000   NaN   NaN 1.871     316.658     380.000       8.607    8 
+    670000      134000.00      26.782      12.926      39.709   6.95 0.071 0.000 0.136 1.681     242.984     380.000      11.838    8 
+    680000      136000.00      34.039       7.179      41.218   6.35 0.000 1.000 0.205 1.194     308.819     380.000       9.723    8 
+    690000      138000.00      41.827      -4.001      37.826   7.36 0.071 0.667 0.167 3.199     379.476     380.000       9.544    8 
+    700000      140000.00      39.382       1.742      41.124   7.52 0.000 1.000 0.136 1.619     357.291     380.000      12.258    8 
+    710000      142000.00      28.941       3.556      32.496   7.15 0.214 0.000 0.152 2.254     262.564     370.000      10.032    8 
+    720000      144000.00      34.130       9.861      43.991   9.04 0.214 0.000 0.152 2.314     309.649     370.000      11.903    8 
+    730000      146000.00      43.172      -6.094      37.078   5.73 0.071 0.857 0.318 1.447     391.675     370.000       7.520    8 
+    740000      148000.00      31.074     -11.732      19.342   6.85 0.143 0.333 0.152 1.487     281.922     370.000      10.876    8 
+    750000      150000.00      36.988       6.230      43.219   4.21 0.143 0.600 0.336 1.589     335.579     370.000       8.250    8 
+    760000      152000.00      30.655     -10.015      20.640   8.29 0.143 0.333 0.182 1.763     278.121     370.000      12.175    8 
+    770000      154000.00      42.711      -6.192      36.519   5.43 0.214 0.400 0.155 1.289     387.496     370.000       8.789    8 
+    780000      156000.00      35.800      -4.466      31.334   5.85 0.071 0.750 0.250 2.490     324.795     370.000       9.503    8 
+    790000      158000.00      36.674      -3.755      32.919   5.26 0.000 1.000 0.473 3.098     332.722     370.000       7.442    8 
+    800000      160000.00      29.134       8.220      37.353   6.18 0.071 0.000 0.182 1.966     264.314     370.000      10.378    8 
+    810000      162000.00      41.508       8.842      50.351   6.81 0.000 1.000 0.318 1.569     376.586     400.000       7.804    8 
+    820000      164000.00      49.388      16.225      65.613   7.25 0.000 1.000 0.205 1.536     448.069     400.000      10.738    8 
+    830000      166000.00      30.976       8.369      39.345   5.97 0.000 1.000 0.182 2.270     281.031     400.000       8.828    8 
+    840000      168000.00      40.813       2.620      43.433   8.67 0.143 0.500 0.182 1.951     370.279     400.000      12.640    8 
+    850000      170000.00      40.535      15.893      56.429   9.19 0.000 1.000 0.205 2.625     367.758     400.000      11.801    8 
+    860000      172000.00      36.230      -0.125      36.106   6.14 0.143 0.667 0.265 1.807     328.700     400.000       7.823    8 
+    870000      174000.00      41.177       4.342      45.519   7.10 0.000   NaN   NaN 2.963     373.581     400.000      11.786    8 
+    880000      176000.00      30.394      13.616      44.010   8.63 0.071 0.500 0.227 2.860     275.746     400.000      11.752    8 
+    890000      178000.00      45.189      -1.676      43.513   9.01 0.071 0.000 0.136 1.092     409.981     400.000      11.605    8 
+    900000      180000.00      36.468       7.877      44.346   5.93 0.071 0.667 0.258 2.517     330.858     400.000       8.981    8 
+    910000      182000.00      36.743      -6.433      30.311   5.19 0.000 1.000 0.409 2.627     333.353     390.000       8.316    8 
+    920000      184000.00      38.476      -2.126      36.349   6.60 0.071 0.800 0.264 1.151     349.073     390.000       8.698    8 
+    930000      186000.00      34.856       9.051      43.907   8.38 0.000 1.000 0.318 1.883     316.229     390.000      11.991    8 
+    940000      188000.00      39.440       6.339      45.780   7.56 0.071 0.857 0.253 1.960     357.823     390.000      10.709    8 
+    950000      190000.00      36.544       3.923      40.467   5.98 0.071 0.857 0.299 5.231     331.545     390.000       7.964    8 
+    960000      192000.00      27.167       2.296      29.463  11.64 0.000   NaN   NaN 2.119     246.472     390.000      14.786    8 
+    970000      194000.00      39.215      10.497      49.712   5.13 0.000   NaN   NaN 2.194     355.783     390.000       9.422    8 
+    980000      196000.00      44.318       3.130      47.448   6.49 0.000 1.000 0.205 2.616     402.073     390.000       9.418    8 
+    990000      198000.00      45.863      -1.424      44.438   5.18 0.000 1.000 0.341 2.315     416.090     390.000       8.599    8 
+   1000000      200000.00      48.651       3.030      51.681   7.22 0.000 1.000 0.227 1.793     441.386     390.000       9.738    8