Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / Langevin / ff_gab / outputs / 1L2Y_MD_GB001.stat

diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB001.stat b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB001.stat
new file mode 100644 (file)
index 0000000..fb7ebc4
--- /dev/null
+++ b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_GB001.stat
@@ -0,0 +1,101 @@
+         0           0.00      30.401      22.474      52.875  12.87 0.000   NaN   NaN 0.956     275.816     300.000      15.552    1 
+     10000        2000.00      39.757      -9.555      30.201  11.14 0.000   NaN   NaN 1.976     360.693     300.000      14.783    1 
+     20000        4000.00      29.461     -20.084       9.377  12.23 0.071 0.000 0.136 1.616     267.284     300.000      14.730    1 
+     30000        6000.00      33.480     -18.095      15.385   9.03 0.071 0.667 0.167 1.024     303.751     300.000      12.427    1 
+     40000        8000.00      36.263      -8.753      27.510  12.40 0.000 1.000 0.182 2.535     329.001     300.000      15.484    1 
+     50000       10000.00      35.304      -8.532      26.772  12.19 0.000   NaN   NaN 1.217     320.300     300.000      15.184    1 
+     60000       12000.00      45.980      -9.150      36.830  10.27 0.000 1.000 0.227 1.397     417.151     300.000      14.141    1 
+     70000       14000.00      35.981      -6.068      29.913   9.41 0.000 1.000 0.273 2.901     326.435     300.000      13.336    1 
+     80000       16000.00      30.537     -15.713      14.824   9.80 0.000 1.000 0.227 2.039     277.044     300.000      13.996    1 
+     90000       18000.00      27.657     -16.272      11.385   9.38 0.000 1.000 0.273 2.976     250.916     300.000      13.386    1 
+    100000       20000.00      34.683     -16.146      18.537  10.18 0.000 1.000 0.227 2.515     314.666     300.000      14.107    1 
+    110000       22000.00      31.090      -7.140      23.950   8.07 0.000 1.000 0.159 2.237     282.063     300.000      12.615    1 
+    120000       24000.00      32.744     -13.277      19.468   6.17 0.214 0.250 0.250 0.978     297.075     300.000       9.542    1 
+    130000       26000.00      30.930     -30.307       0.623   5.85 0.000 1.000 0.429 1.426     280.614     300.000       7.989    1 
+    140000       28000.00      38.521     -30.216       8.305   5.92 0.071 0.800 0.436 1.483     349.481     300.000       7.892    1 
+    150000       30000.00      30.491     -22.166       8.325   5.22 0.214 0.571 0.383 3.251     276.631     300.000       8.869    1 
+    160000       32000.00      32.981     -25.248       7.733   5.83 0.143 0.714 0.442 3.456     299.224     300.000       8.435    1 
+    170000       34000.00      36.196      -4.607      31.590   6.27 0.143 0.500 0.375 1.387     328.391     300.000       8.175    1 
+    180000       36000.00      32.676     -26.677       6.000   5.78 0.071 0.900 0.468 1.367     296.456     300.000       7.521    1 
+    190000       38000.00      40.621     -23.985      16.636   5.23 0.143 0.818 0.517 1.594     368.536     300.000       7.483    1 
+    200000       40000.00      38.460     -30.824       7.636   5.04 0.214 0.500 0.333 1.450     348.931     300.000       7.153    1 
+    210000       42000.00      33.104     -21.734      11.370   4.97 0.143 0.818 0.351 2.292     300.338     300.000       7.096    1 
+    220000       44000.00      26.850     -29.778      -2.928   4.83 0.071 0.857 0.260 0.945     243.594     300.000       7.154    1 
+    230000       46000.00      26.246     -38.689     -12.443   4.13 0.357 0.583 0.345 1.954     238.115     300.000       7.259    1 
+    240000       48000.00      36.232     -32.305       3.927   4.07 0.286 0.636 0.339 1.016     328.714     300.000       6.875    1 
+    250000       50000.00      35.317     -32.473       2.845   3.78 0.143 0.818 0.326 3.578     320.418     300.000       7.368    1 
+    260000       52000.00      29.410     -45.820     -16.410   4.22 0.214 0.750 0.409 1.912     266.823     300.000       6.810    1 
+    270000       54000.00      32.683     -27.115       5.568   4.77 0.214 0.800 0.306 1.809     296.517     300.000       6.631    1 
+    280000       56000.00      34.546     -40.596      -6.050   5.82 0.214 0.727 0.269 0.852     313.418     300.000       7.056    1 
+    290000       58000.00      35.736     -33.093       2.642   6.81 0.071 0.900 0.264 1.722     324.213     300.000       7.274    1 
+    300000       60000.00      31.491     -35.997      -4.506   5.66 0.214 0.769 0.283 1.824     285.701     300.000       7.005    1 
+    310000       62000.00      38.160     -38.294      -0.134   6.50 0.143 0.857 0.289 1.866     346.209     300.000       7.170    1 
+    320000       64000.00      38.847     -33.894       4.953   5.16 0.214 0.667 0.258 1.554     352.438     300.000       7.265    1 
+    330000       66000.00      40.682     -36.551       4.131   3.76 0.214 0.769 0.392 1.492     369.092     300.000       6.854    1 
+    340000       68000.00      43.132     -16.524      26.608   3.75 0.143 0.833 0.356 4.090     391.315     300.000       7.089    1 
+    350000       70000.00      38.073     -40.564      -2.492   4.26 0.143 0.867 0.424 2.694     345.416     300.000       7.049    1 
+    360000       72000.00      41.150     -32.075       9.075   4.15 0.357 0.688 0.375 3.314     373.334     300.000       6.883    1 
+    370000       74000.00      25.166     -43.279     -18.113   3.90 0.286 0.600 0.382 1.309     228.322     300.000       6.745    1 
+    380000       76000.00      44.719     -36.790       7.928   4.96 0.143 0.818 0.335 1.344     405.710     300.000       7.163    1 
+    390000       78000.00      34.163     -37.745      -3.582   6.50 0.286 0.733 0.245 2.451     309.949     300.000       7.320    1 
+    400000       80000.00      27.241     -41.266     -14.025   5.62 0.357 0.643 0.211 2.348     247.145     300.000       7.330    1 
+    410000       82000.00      36.833     -45.794      -8.961   3.69 0.286 0.667 0.409 2.428     334.170     300.000       6.891    1 
+    420000       84000.00      35.175     -50.889     -15.714   2.74 0.357 0.583 0.284 1.875     319.124     300.000       6.948    1 
+    430000       86000.00      35.277     -42.452      -7.174   2.98 0.500 0.588 0.398 1.177     320.055     300.000       6.589    1 
+    440000       88000.00      33.910     -37.847      -3.937   2.68 0.500 0.417 0.265 2.194     307.652     300.000       7.396    1 
+    450000       90000.00      38.804     -40.432      -1.628   2.88 0.429 0.600 0.294 1.137     352.047     300.000       6.737    1 
+    460000       92000.00      29.586     -41.599     -12.013   2.61 0.286 0.692 0.311 1.261     268.421     300.000       6.850    1 
+    470000       94000.00      34.597     -38.709      -4.112   4.73 0.286 0.667 0.197 2.280     313.880     300.000       8.090    1 
+    480000       96000.00      27.295     -42.984     -15.689   3.04 0.286 0.714 0.253 2.187     247.630     300.000       6.494    1 
+    490000       98000.00      37.639     -35.889       1.751   3.53 0.429 0.538 0.266 1.116     341.485     300.000       7.429    1 
+    500000      100000.00      32.154     -46.788     -14.634   5.72 0.357 0.583 0.223 1.558     291.718     300.000       7.956    1 
+    510000      102000.00      46.437     -36.922       9.514   5.12 0.214 0.625 0.199 1.329     421.296     300.000       8.226    1 
+    520000      104000.00      26.552     -48.920     -22.368   6.95 0.286 0.667 0.208 1.853     240.894     300.000       7.902    1 
+    530000      106000.00      31.280     -23.379       7.902   6.30 0.286 0.636 0.207 1.595     283.792     300.000       7.822    1 
+    540000      108000.00      41.001     -35.001       6.001   6.05 0.357 0.375 0.188 2.116     371.986     300.000       7.942    1 
+    550000      110000.00      36.511     -40.912      -4.401   6.68 0.214 0.750 0.205 2.389     331.247     300.000       7.348    1 
+    560000      112000.00      38.956     -41.563      -2.606   7.02 0.214 0.667 0.202 1.604     353.433     300.000       7.462    1 
+    570000      114000.00      29.386     -34.855      -5.469   5.18 0.286 0.667 0.295 1.807     266.601     300.000       6.872    1 
+    580000      116000.00      28.380     -36.466      -8.086   6.11 0.143 0.778 0.288 2.745     257.475     300.000       7.104    1 
+    590000      118000.00      36.625     -42.237      -5.612   5.04 0.214 0.571 0.390 1.657     332.277     300.000       7.593    1 
+    600000      120000.00      33.000     -41.966      -8.965   4.52 0.214 0.571 0.273 1.422     299.397     300.000       7.681    1 
+    610000      122000.00      33.522     -45.320     -11.798   4.47 0.214 0.700 0.241 1.397     304.128     300.000       7.510    1 
+    620000      124000.00      36.197     -34.710       1.487   5.13 0.357 0.545 0.326 1.784     328.398     300.000       6.918    1 
+    630000      126000.00      34.804     -41.737      -6.933   5.06 0.357 0.545 0.376 2.108     315.759     300.000       7.091    1 
+    640000      128000.00      39.133     -28.992      10.141   5.25 0.071 0.800 0.182 3.256     355.036     300.000       7.640    1 
+    650000      130000.00      36.017     -40.838      -4.821   6.35 0.214 0.769 0.301 1.968     326.761     300.000       6.722    1 
+    660000      132000.00      39.525     -40.381      -0.856   4.94 0.357 0.583 0.360 1.741     358.588     300.000       7.024    1 
+    670000      134000.00      33.818     -46.088     -12.270   4.47 0.286 0.692 0.283 1.253     306.813     300.000       6.840    1 
+    680000      136000.00      31.889     -47.040     -15.151   5.02 0.429 0.538 0.283 1.737     289.311     300.000       6.902    1 
+    690000      138000.00      43.727     -38.467       5.260   5.09 0.286 0.636 0.339 2.089     396.715     300.000       7.007    1 
+    700000      140000.00      29.735     -38.171      -8.436   5.45 0.143 0.818 0.298 1.772     269.774     300.000       6.851    1 
+    710000      142000.00      34.878     -20.858      14.020   5.39 0.214 0.500 0.174 2.364     316.431     300.000       7.633    1 
+    720000      144000.00      39.651     -44.783      -5.131   4.55 0.071 0.909 0.339 1.638     359.738     300.000       6.961    1 
+    730000      146000.00      29.321     -37.224      -7.903   4.83 0.286 0.714 0.308 1.345     266.014     300.000       7.041    1 
+    740000      148000.00      30.098     -39.433      -9.336   5.52 0.214 0.571 0.260 2.128     273.064     300.000       7.386    1 
+    750000      150000.00      27.088     -39.292     -12.203   6.65 0.143 0.778 0.343 0.985     245.760     300.000       7.056    1 
+    760000      152000.00      32.116     -39.594      -7.478   5.73 0.143 0.833 0.318 2.039     291.375     300.000       6.742    1 
+    770000      154000.00      50.644     -40.846       9.799   5.26 0.214 0.769 0.374 2.086     459.470     300.000       7.080    1 
+    780000      156000.00      35.104     -33.769       1.336   5.06 0.143 0.818 0.351 2.075     318.484     300.000       7.570    1 
+    790000      158000.00      41.525     -44.033      -2.508   3.91 0.286 0.667 0.318 1.513     376.734     300.000       7.540    1 
+    800000      160000.00      35.176     -36.906      -1.730   3.89 0.143 0.714 0.175 1.582     319.137     300.000       8.485    1 
+    810000      162000.00      34.482     -35.574      -1.091   7.06 0.214 0.700 0.214 1.340     312.840     300.000       7.775    1 
+    820000      164000.00      41.817     -39.420       2.397   6.27 0.071 0.909 0.248 1.943     379.386     300.000       7.854    1 
+    830000      166000.00      40.507     -39.844       0.663   5.49 0.143 0.714 0.188 1.265     367.503     300.000       8.643    1 
+    840000      168000.00      36.622     -29.210       7.412   5.87 0.143 0.800 0.264 2.609     332.256     300.000       6.893    1 
+    850000      170000.00      44.442     -31.419      13.023   5.72 0.214 0.750 0.341 1.342     403.200     300.000       6.511    1 
+    860000      172000.00      36.157     -31.026       5.131   5.56 0.071 0.900 0.291 1.764     328.034     300.000       7.219    1 
+    870000      174000.00      33.936     -34.689      -0.753   4.07 0.143 0.750 0.261 1.326     307.884     300.000       7.380    1 
+    880000      176000.00      38.318     -41.104      -2.786   5.12 0.214 0.700 0.314 3.472     347.640     300.000       7.590    1 
+    890000      178000.00      38.756     -34.904       3.853   5.44 0.214 0.769 0.304 2.777     351.616     300.000       6.723    1 
+    900000      180000.00      39.953     -33.418       6.535   5.86 0.286 0.667 0.242 2.015     362.473     300.000       6.778    1 
+    910000      182000.00      39.116     -32.580       6.536   7.13 0.143 0.750 0.205 1.710     354.885     300.000       8.159    1 
+    920000      184000.00      35.179     -39.400      -4.221   6.64 0.214 0.727 0.223 2.491     319.160     300.000       8.047    1 
+    930000      186000.00      37.295     -35.731       1.564   4.49 0.286 0.500 0.176 2.461     338.357     300.000       8.414    1 
+    940000      188000.00      35.261     -43.259      -7.998   4.79 0.286 0.600 0.191 3.043     319.904     300.000       8.021    1 
+    950000      190000.00      32.200     -27.490       4.710   5.55 0.143 0.600 0.173 1.431     292.134     300.000       9.115    1 
+    960000      192000.00      45.997     -42.094       3.903   4.64 0.500 0.417 0.189 1.180     417.305     300.000       8.522    1 
+    970000      194000.00      37.387     -31.824       5.563   4.58 0.071 0.800 0.173 3.524     339.193     300.000       9.035    1 
+    980000      196000.00      30.070     -37.437      -7.367   3.79 0.286 0.500 0.182 2.552     272.811     300.000       8.316    1 
+    990000      198000.00      34.318     -25.973       8.345   8.84 0.214 0.571 0.156 1.269     311.354     300.000      10.781    1 
+   1000000      200000.00      38.190     -36.727       1.462   6.27 0.143 0.714 0.188 3.674     346.478     300.000       8.524    1