Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB028.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB028.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB028.stat
new file mode 100644 (file)
index 0000000..7ac6424
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB028.stat
@@ -0,0 +1,101 @@
+         0           0.00      42.077      24.551      66.628  12.87 0.000   NaN   NaN 0.714     381.743     390.000      15.552   28 
+     10000        2000.00      39.821       6.535      46.356   7.25 0.000 1.000 0.545 1.703     361.280     390.000      10.445   28 
+     20000        4000.00      37.593      -5.426      32.168   6.55 0.000 1.000 0.273 1.671     341.065     390.000       9.617   28 
+     30000        6000.00      46.291      -5.198      41.094   4.69 0.000 1.000 0.379 2.657     419.979     390.000       8.987   28 
+     40000        8000.00      33.162       1.252      34.414   9.23 0.000 1.000 0.136 1.574     300.865     390.000      13.505   28 
+     50000       10000.00      38.136       6.250      44.386   6.43 0.000   NaN   NaN 1.550     345.992     390.000      10.590   28 
+     60000       12000.00      43.400      10.538      53.939   6.29 0.071 0.800 0.409 3.054     393.751     390.000       9.411   28 
+     70000       14000.00      40.731       7.566      48.296   7.33 0.000   NaN   NaN 2.517     369.529     390.000      11.029   28 
+     80000       16000.00      39.476      -7.568      31.908   5.48 0.000 1.000 0.682 2.069     358.146     390.000       8.399   28 
+     90000       18000.00      41.845      -1.820      40.026   5.19 0.071 0.875 0.574 3.491     379.644     390.000       8.205   28 
+    100000       20000.00      39.341      -4.158      35.183   7.16 0.000   NaN   NaN 1.402     356.925     390.000      12.059   28 
+    110000       22000.00      33.622      -3.621      30.001   7.91 0.071 0.000 0.182 1.043     305.035     370.000      11.222   28 
+    120000       24000.00      36.774       7.137      43.912  10.41 0.143 0.000 0.136 3.241     333.635     370.000      14.070   28 
+    130000       26000.00      29.529      -2.893      26.636   3.67 0.214 0.400 0.218 1.708     267.904     370.000       7.993   28 
+    140000       28000.00      32.207      -9.469      22.737  10.10 0.214 0.400 0.155 1.990     292.194     370.000      12.892   28 
+    150000       30000.00      39.764      -7.611      32.153   7.09 0.071 0.000 0.136 1.009     360.760     370.000      10.424   28 
+    160000       32000.00      36.591      -1.271      35.320   8.31 0.071 0.000 0.136 1.464     331.969     370.000      11.991   28 
+    170000       34000.00      39.936      -6.612      33.324   6.86 0.071 0.000 0.136 2.255     362.319     370.000      10.681   28 
+    180000       36000.00      43.043       8.189      51.233   7.62 0.000 1.000 0.227 2.486     390.511     370.000      11.274   28 
+    190000       38000.00      52.734      -4.348      48.386   9.45 0.214 0.000 0.167 1.616     478.430     370.000      12.806   28 
+    200000       40000.00      40.811      -5.052      35.759   8.46 0.143 0.000 0.159 1.346     370.259     370.000      11.129   28 
+    210000       42000.00      41.973       1.031      43.004   8.35 0.071 0.500 0.205 2.805     380.802     350.000      10.627   28 
+    220000       44000.00      35.206      -8.725      26.481   4.11 0.000 1.000 0.470 3.813     319.406     350.000       7.510   28 
+    230000       46000.00      40.077      -0.920      39.157   5.89 0.071 0.750 0.364 2.191     363.603     350.000       8.163   28 
+    240000       48000.00      30.508      -2.362      28.146   7.94 0.071 0.000 0.182 1.988     276.782     350.000      11.894   28 
+    250000       50000.00      30.112     -11.050      19.062   7.40 0.071 0.500 0.227 2.334     273.193     350.000      10.808   28 
+    260000       52000.00      35.854       9.223      45.077   7.74 0.000 1.000 0.227 3.136     325.288     350.000      11.134   28 
+    270000       54000.00      46.472       1.717      48.189   4.99 0.071 0.500 0.159 1.681     421.619     350.000       9.549   28 
+    280000       56000.00      41.109       6.733      47.842   5.25 0.071 0.667 0.303 1.284     372.966     350.000       9.122   28 
+    290000       58000.00      29.176       0.458      29.635   7.69 0.000 1.000 0.205 2.394     264.702     350.000      10.304   28 
+    300000       60000.00      29.022       5.183      34.205   5.47 0.143 0.500 0.466 2.209     263.302     350.000       7.715   28 
+    310000       62000.00      42.899       0.068      42.967   5.37 0.143 0.333 0.409 2.263     389.203     390.000       8.976   28 
+    320000       64000.00      39.971     -11.598      28.373   5.82 0.071 0.750 0.205 1.898     362.637     390.000       7.237   28 
+    330000       66000.00      36.111       5.415      41.527   5.54 0.000 1.000 0.273 2.211     327.620     390.000       8.859   28 
+    340000       68000.00      31.509       5.774      37.283   4.38 0.071 0.667 0.288 0.950     285.870     390.000       8.228   28 
+    350000       70000.00      34.480      -0.376      34.104  11.29 0.000   NaN   NaN 2.156     312.821     390.000      14.850   28 
+    360000       72000.00      40.057      -3.355      36.702   6.06 0.071 0.833 0.265 2.158     363.418     390.000       7.776   28 
+    370000       74000.00      36.548     -15.235      21.313   5.83 0.000 1.000 0.227 2.795     331.582     390.000       8.907   28 
+    380000       76000.00      35.919      10.296      46.214   4.51 0.071 0.667 0.258 1.704     325.872     390.000       9.075   28 
+    390000       78000.00      46.481       8.965      55.446  10.09 0.000   NaN   NaN 2.172     421.704     390.000      13.884   28 
+    400000       80000.00      30.598      -6.076      24.522   4.74 0.000 1.000 0.727 1.312     277.601     390.000       8.690   28 
+    410000       82000.00      37.571       3.169      40.740   5.26 0.071 0.750 0.284 2.932     340.863     390.000       8.125   28 
+    420000       84000.00      31.057       8.969      40.026   5.66 0.000 1.000 0.209 0.902     281.763     390.000       9.376   28 
+    430000       86000.00      37.254      -4.988      32.266   5.47 0.000   NaN   NaN 1.505     337.989     390.000       9.490   28 
+    440000       88000.00      32.622       0.562      33.184   7.49 0.071 0.500 0.227 2.987     295.961     390.000      10.077   28 
+    450000       90000.00      38.826      -0.941      37.885   4.85 0.071 0.875 0.307 2.381     352.253     390.000       7.791   28 
+    460000       92000.00      42.493      14.000      56.493   8.24 0.000 1.000 0.136 3.288     385.515     390.000       9.350   28 
+    470000       94000.00      37.153       5.909      43.061   8.43 0.000 1.000 0.182 4.065     337.069     390.000      12.050   28 
+    480000       96000.00      37.022      -5.015      32.008   6.03 0.071 0.800 0.255 1.967     335.886     390.000       8.967   28 
+    490000       98000.00      41.704      -4.679      37.025   7.54 0.214 0.400 0.218 2.269     378.358     390.000       9.329   28 
+    500000      100000.00      34.057       6.963      41.020   6.08 0.000 1.000 0.227 1.068     308.979     390.000      11.266   28 
+    510000      102000.00      50.736      -6.134      44.602   8.46 0.143 0.333 0.197 1.092     460.302     390.000      11.177   28 
+    520000      104000.00      44.620      -2.653      41.967   6.20 0.000 1.000 0.523 2.522     404.817     390.000       9.207   28 
+    530000      106000.00      38.348      -9.575      28.773   6.33 0.000 1.000 0.432 1.798     347.912     390.000       7.711   28 
+    540000      108000.00      39.501       0.163      39.664   5.78 0.071 0.000 0.136 2.423     358.375     390.000       9.000   28 
+    550000      110000.00      39.719       2.992      42.712  10.57 0.000 1.000 0.136 1.749     360.353     390.000      13.578   28 
+    560000      112000.00      38.005      -7.818      30.187   4.99 0.214 0.571 0.409 1.858     344.803     390.000       8.175   28 
+    570000      114000.00      41.656       6.334      47.989   6.08 0.214 0.250 0.182 2.166     377.920     390.000       9.804   28 
+    580000      116000.00      40.767      -2.979      37.789   5.01 0.000 1.000 0.379 4.038     369.864     390.000       7.986   28 
+    590000      118000.00      39.921      -0.375      39.546   5.43 0.000 1.000 0.636 0.876     362.182     390.000       9.246   28 
+    600000      120000.00      35.603      -5.676      29.927   8.14 0.071 0.000 0.182 1.364     323.010     390.000      11.487   28 
+    610000      122000.00      31.693      -0.279      31.414   8.82 0.000 1.000 0.182 1.395     287.537     380.000      11.296   28 
+    620000      124000.00      33.640      -2.913      30.727   6.74 0.071 0.500 0.500 3.520     305.195     380.000       8.539   28 
+    630000      126000.00      38.770       1.562      40.332   8.70 0.000 1.000 0.303 2.561     351.741     380.000      10.104   28 
+    640000      128000.00      33.394       2.431      35.825   7.82 0.071 0.667 0.258 1.960     302.966     380.000      10.930   28 
+    650000      130000.00      39.836       3.474      43.310   9.28 0.000   NaN   NaN 2.733     361.414     380.000      14.210   28 
+    660000      132000.00      37.600       2.804      40.405   7.61 0.000   NaN   NaN 2.299     341.128     380.000      11.192   28 
+    670000      134000.00      30.712       1.084      31.796   7.32 0.000 1.000 0.182 1.789     278.636     380.000       9.883   28 
+    680000      136000.00      35.421       2.737      38.158   8.19 0.071 0.000 0.182 2.002     321.358     380.000      11.840   28 
+    690000      138000.00      33.645      13.427      47.072   7.69 0.071 0.000 0.136 2.330     305.248     380.000      12.148   28 
+    700000      140000.00      36.285       6.303      42.588   5.02 0.071 0.667 0.348 2.765     329.195     380.000       7.560   28 
+    710000      142000.00      37.037       5.617      42.654   6.61 0.000 1.000 0.568 2.023     336.023     370.000      11.178   28 
+    720000      144000.00      32.151       1.168      33.319   6.29 0.000 1.000 0.227 3.214     291.693     370.000       9.170   28 
+    730000      146000.00      31.663       1.351      33.014  11.44 0.000   NaN   NaN 3.171     287.265     370.000      15.592   28 
+    740000      148000.00      28.110      -9.059      19.051   7.93 0.000   NaN   NaN 2.107     255.027     370.000       9.717   28 
+    750000      150000.00      34.745       5.024      39.769   7.81 0.000   NaN   NaN 1.979     315.223     370.000      11.324   28 
+    760000      152000.00      40.492       8.620      49.112   8.59 0.000 1.000 0.348 3.380     367.363     370.000      10.628   28 
+    770000      154000.00      38.404      -4.560      33.844   6.86 0.000 1.000 0.500 1.167     348.424     370.000       8.326   28 
+    780000      156000.00      40.288      -9.051      31.237   5.86 0.000 1.000 0.227 1.816     365.511     370.000       9.567   28 
+    790000      158000.00      36.821      -2.934      33.888   3.96 0.214 0.500 0.258 1.952     334.063     370.000       7.676   28 
+    800000      160000.00      48.212     -11.245      36.967   9.88 0.071 0.000 0.136 2.183     437.406     370.000      14.231   28 
+    810000      162000.00      36.990       2.805      39.794   4.25 0.214 0.571 0.331 1.524     335.589     360.000       8.245   28 
+    820000      164000.00      36.177     -11.504      24.672   5.29 0.071 0.833 0.447 3.568     328.213     360.000       7.486   28 
+    830000      166000.00      35.007     -14.922      20.085   8.59 0.071 0.750 0.182 1.766     317.599     360.000      11.965   28 
+    840000      168000.00      31.216     -25.856       5.360   5.44 0.000 1.000 0.515 0.849     283.207     360.000       8.285   28 
+    850000      170000.00      41.709       0.665      42.374  11.79 0.000   NaN   NaN 4.935     378.403     360.000      15.028   28 
+    860000      172000.00      33.634     -15.866      17.768   6.17 0.286 0.556 0.323 3.170     305.143     360.000       7.449   28 
+    870000      174000.00      37.875      -9.518      28.357   5.25 0.071 0.500 0.273 1.116     343.620     360.000       8.316   28 
+    880000      176000.00      33.227     -15.927      17.300   4.47 0.143 0.667 0.348 1.902     301.453     360.000       8.344   28 
+    890000      178000.00      36.331     -10.908      25.423   5.76 0.000 1.000 0.379 1.423     329.618     360.000       8.321   28 
+    900000      180000.00      31.223      -1.314      29.909  10.48 0.000   NaN   NaN 2.676     283.272     360.000      13.654   28 
+    910000      182000.00      42.322      -2.526      39.797   7.97 0.000 1.000 0.197 1.111     383.971     350.000       9.078   28 
+    920000      184000.00      32.447      -3.474      28.973   6.04 0.143 0.333 0.258 1.482     294.377     350.000       9.058   28 
+    930000      186000.00      40.122      -5.986      34.137   8.15 0.143 0.000 0.159 1.235     364.009     350.000      11.314   28 
+    940000      188000.00      27.872     -16.785      11.087   6.54 0.071 0.750 0.205 2.419     252.869     350.000       8.514   28 
+    950000      190000.00      37.703      -4.990      32.713   7.54 0.214 0.000 0.167 1.609     342.065     350.000      10.893   28 
+    960000      192000.00      34.658      -3.080      31.578  11.29 0.000 1.000 0.136 1.772     314.436     350.000      14.620   28 
+    970000      194000.00      38.441      16.122      54.563   5.93 0.000 1.000 0.182 1.920     348.758     350.000       8.563   28 
+    980000      196000.00      33.146       5.163      38.309   9.49 0.071 0.500 0.136 1.810     300.715     350.000      13.604   28 
+    990000      198000.00      45.593       5.777      51.370   9.74 0.000 1.000 0.182 3.267     413.645     350.000      12.809   28 
+   1000000      200000.00      25.772      -6.220      19.552  11.01 0.071 0.500 0.159 1.593     233.819     350.000      14.289   28