Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB027.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB027.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB027.stat
new file mode 100644 (file)
index 0000000..2643edc
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB027.stat
@@ -0,0 +1,101 @@
+         0           0.00      41.284      24.549      65.832  12.87 0.000   NaN   NaN 0.712     374.547     380.000      15.552   27 
+     10000        2000.00      39.893      -5.160      34.733   6.87 0.000 1.000 0.400 1.688     361.930     380.000       7.883   27 
+     20000        4000.00      38.118       4.637      42.755   6.93 0.000 1.000 0.182 1.082     345.824     380.000      10.213   27 
+     30000        6000.00      41.667      -6.174      35.493   5.56 0.000   NaN   NaN 2.121     378.022     380.000      10.905   27 
+     40000        8000.00      35.739      -1.670      34.068   6.87 0.000 1.000 0.273 2.316     324.239     380.000      10.802   27 
+     50000       10000.00      29.562       5.850      35.412  10.29 0.071 0.500 0.136 1.931     268.200     380.000      13.232   27 
+     60000       12000.00      43.744      -6.613      37.131   5.75 0.000 1.000 0.386 2.913     396.867     380.000       9.020   27 
+     70000       14000.00      35.671       3.997      39.668   9.33 0.000 1.000 0.386 1.854     323.630     380.000      12.024   27 
+     80000       16000.00      32.840      -9.203      23.637   5.49 0.000 1.000 0.182 1.707     297.939     380.000      10.220   27 
+     90000       18000.00      30.941       4.227      35.167   8.27 0.000 1.000 0.136 1.506     280.709     380.000      11.175   27 
+    100000       20000.00      38.911      -5.011      33.900   8.59 0.000 1.000 0.250 1.127     353.024     380.000      12.012   27 
+    110000       22000.00      32.486      -6.509      25.976   4.68 0.143 0.600 0.418 1.747     294.727     380.000       8.432   27 
+    120000       24000.00      46.224      -5.105      41.119   8.32 0.000 1.000 0.470 1.157     419.369     380.000       9.196   27 
+    130000       26000.00      42.935       3.537      46.472   6.74 0.071 0.500 0.182 1.601     389.528     380.000      10.850   27 
+    140000       28000.00      34.952       6.918      41.870   5.79 0.071 0.667 0.227 1.472     317.101     380.000       8.837   27 
+    150000       30000.00      40.929      -2.604      38.324  11.37 0.071 0.000 0.136 2.819     371.326     380.000      13.627   27 
+    160000       32000.00      33.435      -9.833      23.602   5.35 0.071 0.909 0.467 0.967     303.342     380.000       6.978   27 
+    170000       34000.00      31.910     -10.579      21.331   5.58 0.071 0.800 0.464 1.801     289.505     380.000       9.351   27 
+    180000       36000.00      44.368       8.062      52.430   9.19 0.000 1.000 0.136 2.708     402.530     380.000      12.485   27 
+    190000       38000.00      36.732      14.025      50.757   4.97 0.000 1.000 0.409 2.095     333.256     380.000      10.113   27 
+    200000       40000.00      26.860       0.148      27.008   6.15 0.071 0.500 0.386 2.401     243.686     380.000       8.553   27 
+    210000       42000.00      45.764       8.565      54.329   7.54 0.000 1.000 0.136 2.314     415.194     380.000      11.861   27 
+    220000       44000.00      35.138      -0.145      34.993   7.07 0.000   NaN   NaN 1.417     318.794     380.000      11.981   27 
+    230000       46000.00      41.458       1.001      42.459   8.40 0.071 0.000 0.136 1.946     376.131     380.000      12.292   27 
+    240000       48000.00      42.247      -4.518      37.729   5.23 0.071 0.500 0.409 1.719     383.284     380.000       8.238   27 
+    250000       50000.00      31.435       0.047      31.483   7.77 0.214 0.000 0.197 1.222     285.198     380.000      11.826   27 
+    260000       52000.00      30.660      -2.552      28.108   9.98 0.000 1.000 0.136 2.748     278.162     380.000      12.535   27 
+    270000       54000.00      43.656      -1.555      42.101   5.67 0.143 0.333 0.167 2.878     396.067     380.000       8.792   27 
+    280000       56000.00      42.700      -6.252      36.448   7.27 0.214 0.400 0.182 1.878     387.400     380.000      10.239   27 
+    290000       58000.00      28.724       0.186      28.909   8.35 0.071 0.500 0.159 1.539     260.596     380.000      11.743   27 
+    300000       60000.00      37.744       5.326      43.070   5.48 0.000 1.000 0.409 1.107     342.431     380.000       9.882   27 
+    310000       62000.00      30.286       5.532      35.818   9.55 0.071 0.750 0.205 0.777     274.772     370.000      11.707   27 
+    320000       64000.00      42.396     -11.602      30.794   5.63 0.071 0.500 0.205 1.900     384.641     370.000      10.146   27 
+    330000       66000.00      37.886      -1.040      36.846   8.59 0.143 0.333 0.182 1.900     343.720     370.000      12.262   27 
+    340000       68000.00      41.740      -2.413      39.327   5.44 0.000 1.000 0.250 2.405     378.683     370.000       8.595   27 
+    350000       70000.00      39.272       4.655      43.927   7.33 0.000   NaN   NaN 3.856     356.292     370.000      11.340   27 
+    360000       72000.00      40.655     -12.456      28.199   5.11 0.071 0.800 0.364 2.858     368.847     370.000       7.608   27 
+    370000       74000.00      32.441     -14.349      18.092   5.86 0.143 0.333 0.288 0.345     294.317     370.000       8.745   27 
+    380000       76000.00      43.534      -3.701      39.832   6.96 0.000   NaN   NaN 1.595     394.959     370.000       9.113   27 
+    390000       78000.00      39.199      -2.025      37.174   6.13 0.071 0.857 0.227 2.252     355.637     370.000       8.801   27 
+    400000       80000.00      36.972       3.628      40.600   6.20 0.143 0.600 0.373 2.232     335.433     370.000       8.774   27 
+    410000       82000.00      39.055     -10.862      28.193   7.38 0.000 1.000 0.409 2.598     354.329     370.000       9.627   27 
+    420000       84000.00      34.476     -15.745      18.731   6.03 0.000 1.000 0.136 2.931     312.781     370.000      10.231   27 
+    430000       86000.00      45.901      -8.236      37.665   5.35 0.071 0.750 0.193 2.842     416.433     370.000       9.414   27 
+    440000       88000.00      39.442      -9.571      29.870   4.58 0.000   NaN   NaN 1.834     357.837     370.000       9.225   27 
+    450000       90000.00      35.757      -9.310      26.447   3.41 0.143 0.600 0.336 1.778     324.406     370.000       7.662   27 
+    460000       92000.00      34.439      10.831      45.270   4.50 0.071 0.500 0.477 1.891     312.451     370.000       8.898   27 
+    470000       94000.00      39.740       2.416      42.156   4.92 0.214 0.400 0.155 1.623     360.537     370.000       9.401   27 
+    480000       96000.00      36.803       6.853      43.656   7.61 0.000 1.000 0.273 1.741     333.894     370.000      10.697   27 
+    490000       98000.00      37.535      -7.415      30.120   4.61 0.071 0.900 0.323 2.631     340.535     370.000       8.267   27 
+    500000      100000.00      36.154      -6.235      29.919   8.32 0.071 0.000 0.182 2.470     328.011     370.000      10.837   27 
+    510000      102000.00      43.496      -2.001      41.495   5.95 0.071 0.500 0.159 1.327     394.617     360.000      10.371   27 
+    520000      104000.00      47.198      -2.089      45.110   9.49 0.000   NaN   NaN 1.995     428.208     360.000      12.714   27 
+    530000      106000.00      30.661      -8.198      22.463   4.85 0.071 0.750 0.159 2.230     278.176     360.000       9.639   27 
+    540000      108000.00      30.173      13.082      43.255   7.21 0.000 1.000 0.136 2.026     273.741     360.000      11.049   27 
+    550000      110000.00      40.163      -6.774      33.389   5.10 0.071 0.875 0.420 2.216     364.378     360.000       6.874   27 
+    560000      112000.00      35.510     -10.840      24.670   5.65 0.000 1.000 0.500 1.747     322.161     360.000       8.298   27 
+    570000      114000.00      27.564     -12.112      15.452   3.63 0.143 0.714 0.481 4.707     250.071     360.000       7.899   27 
+    580000      116000.00      28.140      -1.528      26.612   7.62 0.000 1.000 0.300 1.586     255.300     360.000       7.970   27 
+    590000      118000.00      38.129      10.517      48.646   8.57 0.000 1.000 0.273 2.813     345.922     360.000      12.839   27 
+    600000      120000.00      33.438       6.034      39.472   8.83 0.071 0.500 0.227 2.299     303.368     360.000      12.374   27 
+    610000      122000.00      39.341     -12.484      26.858   6.05 0.071 0.833 0.235 1.962     356.925     400.000       7.397   27 
+    620000      124000.00      33.275       0.012      33.287   9.80 0.071 0.000 0.136 1.867     301.884     400.000      13.439   27 
+    630000      126000.00      39.991       4.909      44.900   5.15 0.000   NaN   NaN 2.230     362.821     400.000      10.092   27 
+    640000      128000.00      38.003       5.760      43.763   9.81 0.000   NaN   NaN 1.823     344.787     400.000      12.247   27 
+    650000      130000.00      34.892       3.121      38.013   9.57 0.071 0.000 0.182 2.149     316.561     400.000      13.732   27 
+    660000      132000.00      42.433      13.702      56.135   7.48 0.071 0.000 0.227 1.937     384.975     400.000      10.791   27 
+    670000      134000.00      39.588       6.439      46.027   5.51 0.000   NaN   NaN 3.027     359.164     400.000       9.351   27 
+    680000      136000.00      50.607      11.722      62.329   6.24 0.071 0.000 0.136 3.334     459.132     400.000       9.299   27 
+    690000      138000.00      49.001       6.748      55.748   6.43 0.143 0.333 0.152 3.238     444.560     400.000      10.149   27 
+    700000      140000.00      36.788       8.611      45.398   5.07 0.000 1.000 0.418 2.326     333.758     400.000       7.579   27 
+    710000      142000.00      36.123       4.550      40.673   9.65 0.143 0.500 0.136 2.319     327.723     390.000      13.009   27 
+    720000      144000.00      45.423       2.140      47.562   5.58 0.143 0.500 0.364 1.966     412.099     390.000       8.377   27 
+    730000      146000.00      41.842      12.259      54.101   7.51 0.000 1.000 0.386 1.029     379.610     390.000       9.381   27 
+    740000      148000.00      46.382       4.615      50.998  10.82 0.000   NaN   NaN 4.721     420.803     390.000      14.715   27 
+    750000      150000.00      51.635       5.868      57.503   8.45 0.071 0.000 0.136 2.034     468.462     390.000      12.663   27 
+    760000      152000.00      44.920       1.408      46.328   6.73 0.071 0.500 0.159 2.562     407.540     390.000      11.290   27 
+    770000      154000.00      45.739       2.804      48.543   6.20 0.071 0.667 0.242 0.262     414.968     390.000      10.383   27 
+    780000      156000.00      36.472       0.527      36.999   5.69 0.071 0.857 0.416 1.661     330.895     390.000       7.882   27 
+    790000      158000.00      40.859       5.179      46.038   7.10 0.000 1.000 0.136 0.738     370.697     390.000      10.090   27 
+    800000      160000.00      37.016       0.672      37.687  10.69 0.071 0.667 0.152 1.245     335.824     390.000      13.865   27 
+    810000      162000.00      38.003       0.794      38.797   7.05 0.071 0.667 0.167 1.536     344.780     390.000      10.287   27 
+    820000      164000.00      31.702       3.162      34.863   7.81 0.071 0.667 0.364 3.808     287.612     390.000       9.806   27 
+    830000      166000.00      42.600      -7.197      35.403   7.57 0.000 1.000 0.364 3.069     386.492     390.000       8.892   27 
+    840000      168000.00      43.918       0.536      44.454   6.91 0.000 1.000 0.205 1.242     398.446     390.000      11.002   27 
+    850000      170000.00      40.837       8.104      48.941   7.62 0.071 0.000 0.227 2.500     370.494     390.000      11.211   27 
+    860000      172000.00      28.920       0.967      29.887   6.44 0.071 0.000 0.136 2.690     262.377     390.000       9.678   27 
+    870000      174000.00      40.487      11.066      51.552   7.18 0.000   NaN   NaN 2.086     367.317     390.000      11.457   27 
+    880000      176000.00      31.115       8.515      39.630   9.02 0.000 1.000 0.205 1.731     282.290     390.000      12.785   27 
+    890000      178000.00      37.380      -1.180      36.200   7.75 0.000 1.000 0.136 3.283     339.131     390.000      11.775   27 
+    900000      180000.00      35.460     -12.119      23.341   4.34 0.071 0.500 0.182 1.088     321.715     390.000       8.146   27 
+    910000      182000.00      33.849      11.958      45.806   6.25 0.000 1.000 0.420 1.739     307.093     380.000      10.315   27 
+    920000      184000.00      42.270       5.136      47.406   9.49 0.071 0.667 0.152 1.022     383.491     380.000      13.817   27 
+    930000      186000.00      37.737       6.897      44.635   5.67 0.071 0.750 0.330 1.575     342.373     380.000       9.329   27 
+    940000      188000.00      37.534      -6.137      31.397   9.10 0.071 0.000 0.182 1.119     340.532     380.000      12.979   27 
+    950000      190000.00      36.740       0.660      37.400   9.08 0.000   NaN   NaN 1.845     333.328     380.000      11.813   27 
+    960000      192000.00      28.768      -8.617      20.151   5.49 0.000 1.000 0.500 1.668     260.998     380.000       8.827   27 
+    970000      194000.00      31.999       4.314      36.313   5.81 0.000   NaN   NaN 2.038     290.312     380.000       9.476   27 
+    980000      196000.00      30.960       5.818      36.778   7.77 0.143 0.000 0.136 1.606     280.889     380.000      11.419   27 
+    990000      198000.00      27.505      -0.688      26.817   5.28 0.071 0.667 0.364 1.976     249.544     380.000       9.858   27 
+   1000000      200000.00      47.817       6.425      54.242   5.93 0.000   NaN   NaN 3.292     433.821     380.000       9.486   27