Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / Langevin / ff_gab / outputs / 1L2Y_MD_GB006.stat

diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB006.stat b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB006.stat
new file mode 100644 (file)
index 0000000..37b343b
--- /dev/null
+++ b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB006.stat
@@ -0,0 +1,101 @@
+         0           0.00      35.724      22.474      58.198  12.87 0.000   NaN   NaN 0.956     324.108     300.000      15.552    6 
+     10000        2000.00      29.040     -10.294      18.746  10.07 0.000 1.000 0.295 1.396     263.469     300.000      13.420    6 
+     20000        4000.00      31.055      -8.769      22.286   8.58 0.000 1.000 0.182 2.745     281.750     300.000      12.415    6 
+     30000        6000.00      39.804     -10.798      29.006  11.72 0.000   NaN   NaN 1.835     361.127     300.000      15.457    6 
+     40000        8000.00      43.497     -18.549      24.948  13.31 0.000   NaN   NaN 4.575     394.630     300.000      17.400    6 
+     50000       10000.00      37.039      -2.981      34.058  12.00 0.071 0.000 0.136 1.118     336.040     300.000      15.748    6 
+     60000       12000.00      35.635     -18.423      17.212   9.78 0.000   NaN   NaN 0.888     323.296     300.000      14.140    6 
+     70000       14000.00      38.045     -11.292      26.753   9.77 0.000 1.000 0.182 1.288     345.167     300.000      14.252    6 
+     80000       16000.00      40.934      -5.851      35.083   6.44 0.071 0.000 0.136 2.277     371.372     300.000      11.528    6 
+     90000       18000.00      31.624     -15.483      16.141   6.93 0.071 0.667 0.167 2.759     286.905     300.000      10.267    6 
+    100000       20000.00      36.701     -11.531      25.170   5.85 0.000 1.000 0.327 1.332     332.966     300.000       8.275    6 
+    110000       22000.00      34.102     -12.473      21.628   6.68 0.000 1.000 0.364 1.421     309.388     300.000       9.257    6 
+    120000       24000.00      35.248     -31.139       4.109   6.13 0.143 0.857 0.390 2.402     319.788     300.000       7.228    6 
+    130000       26000.00      39.846     -27.482      12.364   4.99 0.143 0.750 0.562 1.642     361.500     300.000       8.086    6 
+    140000       28000.00      40.004     -20.332      19.672   4.06 0.143 0.800 0.441 1.499     362.936     300.000       7.329    6 
+    150000       30000.00      39.068     -18.564      20.504   5.23 0.071 0.800 0.418 1.822     354.448     300.000       9.026    6 
+    160000       32000.00      32.860     -18.177      14.683   5.37 0.143 0.714 0.318 1.930     298.121     300.000       7.521    6 
+    170000       34000.00      41.579     -33.270       8.309   4.56 0.143 0.778 0.480 1.675     377.225     300.000       6.793    6 
+    180000       36000.00      32.701     -14.805      17.895   4.12 0.143 0.750 0.551 1.757     296.677     300.000       7.433    6 
+    190000       38000.00      35.313     -31.287       4.026   3.81 0.214 0.667 0.384 1.944     320.378     300.000       7.405    6 
+    200000       40000.00      28.326     -35.892      -7.566   4.11 0.429 0.600 0.367 0.852     256.990     300.000       6.532    6 
+    210000       42000.00      34.389     -29.563       4.826   3.45 0.214 0.727 0.393 0.993     311.996     300.000       7.243    6 
+    220000       44000.00      57.462      -7.866      49.596   3.93 0.214 0.769 0.381 1.594     521.324     300.000       6.960    6 
+    230000       46000.00      29.101     -12.889      16.213   4.98 0.071 0.889 0.384 2.358     264.020     300.000       7.133    6 
+    240000       48000.00      38.336     -33.828       4.508   6.06 0.143 0.800 0.245 0.978     347.802     300.000       7.959    6 
+    250000       50000.00      37.138     -39.441      -2.303   6.38 0.143 0.800 0.245 1.180     336.937     300.000       7.580    6 
+    260000       52000.00      42.089     -29.346      12.742   6.66 0.143 0.778 0.253 1.949     381.852     300.000       7.235    6 
+    270000       54000.00      40.648     -38.094       2.554   6.60 0.214 0.700 0.250 2.476     368.781     300.000       6.676    6 
+    280000       56000.00      35.549     -41.928      -6.379   6.53 0.143 0.778 0.242 0.686     322.523     300.000       6.933    6 
+    290000       58000.00      29.152     -40.590     -11.438   6.97 0.214 0.812 0.341 1.543     264.483     300.000       6.369    6 
+    300000       60000.00      32.040     -40.045      -8.005   5.33 0.214 0.700 0.241 1.761     290.687     300.000       7.214    6 
+    310000       62000.00      43.916     -23.881      20.035   4.83 0.357 0.545 0.207 1.381     398.431     300.000       7.474    6 
+    320000       64000.00      25.797     -44.613     -18.815   5.01 0.429 0.600 0.315 1.624     234.047     300.000       6.739    6 
+    330000       66000.00      31.926     -34.136      -2.210   6.17 0.357 0.500 0.295 1.649     289.650     300.000       6.654    6 
+    340000       68000.00      40.154     -40.230      -0.075   5.40 0.286 0.714 0.328 1.073     364.299     300.000       6.613    6 
+    350000       70000.00      36.715     -31.030       5.685   5.04 0.214 0.750 0.269 2.037     333.101     300.000       7.188    6 
+    360000       72000.00      41.038     -27.794      13.243   5.55 0.071 0.875 0.307 1.354     372.315     300.000       7.547    6 
+    370000       74000.00      33.622     -35.934      -2.312   5.79 0.429 0.714 0.409 1.723     305.032     300.000       6.642    6 
+    380000       76000.00      33.738     -34.795      -1.057   5.00 0.214 0.769 0.420 1.429     306.090     300.000       6.722    6 
+    390000       78000.00      36.006     -43.209      -7.204   2.58 0.214 0.786 0.292 2.443     326.661     300.000       6.863    6 
+    400000       80000.00      30.365     -36.815      -6.450   4.22 0.286 0.556 0.177 1.331     275.485     300.000       8.376    6 
+    410000       82000.00      33.910     -39.053      -5.142   6.55 0.071 0.750 0.159 1.536     307.653     300.000       8.876    6 
+    420000       84000.00      37.771     -44.603      -6.832   6.39 0.214 0.700 0.200 1.408     342.677     300.000       7.907    6 
+    430000       86000.00      35.413     -40.585      -5.171   6.65 0.214 0.727 0.215 1.328     321.289     300.000       7.319    6 
+    440000       88000.00      27.885     -41.977     -14.092   6.78 0.214 0.727 0.202 2.247     252.986     300.000       7.665    6 
+    450000       90000.00      41.925     -36.260       5.665   6.79 0.286 0.692 0.231 1.987     380.362     300.000       7.203    6 
+    460000       92000.00      35.391     -45.623     -10.232   6.55 0.286 0.667 0.250 1.677     321.081     300.000       6.808    6 
+    470000       94000.00      39.033     -42.807      -3.773   6.33 0.214 0.667 0.323 1.214     354.130     300.000       6.825    6 
+    480000       96000.00      41.229     -34.436       6.793   6.78 0.143 0.778 0.207 1.175     374.050     300.000       7.862    6 
+    490000       98000.00      38.735     -34.358       4.377   4.60 0.214 0.786 0.227 1.861     351.426     300.000       6.934    6 
+    500000      100000.00      26.115     -44.331     -18.216   5.59 0.214 0.786 0.383 2.942     236.933     300.000       6.439    6 
+    510000      102000.00      26.793     -33.256      -6.463   6.46 0.214 0.750 0.201 1.094     243.083     300.000       7.759    6 
+    520000      104000.00      31.660     -30.441       1.219   4.31 0.214 0.667 0.263 2.225     287.238     300.000       7.437    6 
+    530000      106000.00      29.432     -38.041      -8.609   3.93 0.214 0.727 0.310 2.768     267.024     300.000       7.724    6 
+    540000      108000.00      40.465     -42.471      -2.006   5.74 0.214 0.727 0.314 1.230     367.120     300.000       6.904    6 
+    550000      110000.00      39.826     -37.262       2.564   4.88 0.143 0.778 0.409 2.698     361.322     300.000       7.272    6 
+    560000      112000.00      38.187     -40.661      -2.474   5.00 0.357 0.545 0.264 1.422     346.452     300.000       6.878    6 
+    570000      114000.00      37.661     -25.698      11.963   4.85 0.143 0.750 0.369 2.973     341.680     300.000       7.372    6 
+    580000      116000.00      41.421     -39.339       2.081   5.46 0.143 0.833 0.402 2.071     375.789     300.000       7.218    6 
+    590000      118000.00      43.355     -43.393      -0.038   6.36 0.071 0.875 0.432 1.173     393.339     300.000       6.816    6 
+    600000      120000.00      28.828     -44.340     -15.512   4.82 0.214 0.700 0.259 0.927     261.541     300.000       6.931    6 
+    610000      122000.00      35.173     -22.633      12.540   5.53 0.429 0.538 0.273 1.047     319.104     300.000       6.791    6 
+    620000      124000.00      30.196     -24.242       5.955   5.05 0.143 0.750 0.256 1.678     273.955     300.000       7.445    6 
+    630000      126000.00      35.968     -45.501      -9.532   4.93 0.357 0.545 0.211 1.266     326.322     300.000       7.272    6 
+    640000      128000.00      31.326     -34.357      -3.031   4.86 0.143 0.818 0.310 3.199     284.203     300.000       6.737    6 
+    650000      130000.00      34.688     -47.661     -12.974   5.31 0.286 0.692 0.315 1.519     314.704     300.000       6.845    6 
+    660000      132000.00      27.427     -36.357      -8.929   6.80 0.143 0.818 0.298 0.846     248.836     300.000       6.522    6 
+    670000      134000.00      32.133     -36.873      -4.740   4.98 0.143 0.714 0.227 1.436     291.523     300.000       7.060    6 
+    680000      136000.00      34.752     -38.020      -3.267   4.45 0.143 0.818 0.355 2.319     315.291     300.000       7.045    6 
+    690000      138000.00      32.281     -34.642      -2.360   5.16 0.143 0.800 0.386 2.069     292.871     300.000       7.012    6 
+    700000      140000.00      39.350     -44.039      -4.689   5.36 0.357 0.737 0.294 0.989     357.003     300.000       6.483    6 
+    710000      142000.00      36.931     -47.336     -10.405   4.46 0.071 0.889 0.394 1.250     335.056     300.000       7.190    6 
+    720000      144000.00      34.647     -40.523      -5.876   5.08 0.357 0.545 0.260 1.327     314.333     300.000       6.928    6 
+    730000      146000.00      32.942     -43.330     -10.389   4.65 0.286 0.733 0.261 1.078     298.863     300.000       6.659    6 
+    740000      148000.00      37.252     -21.238      16.014   4.51 0.214 0.667 0.242 3.000     337.971     300.000       7.841    6 
+    750000      150000.00      32.081     -43.862     -11.781   4.80 0.286 0.778 0.308 1.566     291.057     300.000       6.810    6 
+    760000      152000.00      34.396     -28.330       6.066   4.21 0.357 0.583 0.269 2.554     312.061     300.000       7.249    6 
+    770000      154000.00      38.799     -34.908       3.891   4.85 0.214 0.727 0.231 2.253     352.001     300.000       7.467    6 
+    780000      156000.00      34.750     -39.223      -4.473   5.27 0.357 0.500 0.286 1.149     315.268     300.000       7.383    6 
+    790000      158000.00      28.517     -23.163       5.354   5.74 0.214 0.571 0.312 1.726     258.721     300.000       7.148    6 
+    800000      160000.00      31.688     -44.247     -12.559   5.32 0.286 0.714 0.312 2.568     287.490     300.000       6.580    6 
+    810000      162000.00      25.114     -34.542      -9.427   5.27 0.286 0.636 0.302 1.429     227.850     300.000       7.059    6 
+    820000      164000.00      41.455     -30.329      11.126   5.72 0.286 0.600 0.264 4.243     376.097     300.000       7.232    6 
+    830000      166000.00      35.506     -45.692     -10.186   6.25 0.143 0.846 0.402 1.560     322.128     300.000       6.741    6 
+    840000      168000.00      33.269     -43.824     -10.555   6.93 0.143 0.778 0.202 1.667     301.833     300.000       7.458    6 
+    850000      170000.00      29.592     -16.247      13.345   4.09 0.357 0.583 0.201 1.386     268.476     300.000       7.206    6 
+    860000      172000.00      35.513     -32.659       2.854   5.81 0.214 0.750 0.205 2.593     322.190     300.000       7.660    6 
+    870000      174000.00      32.425     -33.784      -1.359   4.92 0.214 0.727 0.219 3.159     294.174     300.000       7.659    6 
+    880000      176000.00      37.471     -36.277       1.194   6.59 0.214 0.667 0.222 4.453     339.958     300.000       8.825    6 
+    890000      178000.00      39.908     -30.821       9.086   6.87 0.071 0.875 0.216 1.735     362.063     300.000       6.726    6 
+    900000      180000.00      35.385     -43.698      -8.313   5.66 0.357 0.643 0.221 1.879     321.028     300.000       7.828    6 
+    910000      182000.00      29.981     -30.759      -0.778   5.20 0.286 0.667 0.223 2.009     271.999     300.000       6.990    6 
+    920000      184000.00      38.889     -38.071       0.818   6.13 0.143 0.818 0.260 2.352     352.821     300.000       7.302    6 
+    930000      186000.00      34.114     -39.084      -4.970   5.54 0.214 0.786 0.231 1.460     309.496     300.000       7.041    6 
+    940000      188000.00      42.191     -36.058       6.133   6.78 0.286 0.692 0.238 1.367     382.777     300.000       7.735    6 
+    950000      190000.00      30.057     -21.869       8.188   8.76 0.214 0.571 0.175 1.524     272.694     300.000      10.770    6 
+    960000      192000.00      32.197     -28.089       4.108   8.57 0.286 0.429 0.162 2.330     292.107     300.000      11.659    6 
+    970000      194000.00      37.217     -44.246      -7.029   8.17 0.214 0.571 0.188 2.320     337.652     300.000      10.828    6 
+    980000      196000.00      39.748     -35.735       4.013   7.36 0.286 0.500 0.188 1.454     360.616     300.000      10.406    6 
+    990000      198000.00      28.916     -32.368      -3.452   8.22 0.286 0.429 0.162 1.860     262.344     300.000      10.549    6 
+   1000000      200000.00      35.503     -26.962       8.541   8.15 0.286 0.500 0.170 2.746     322.098     300.000      10.076    6