New examples based on current version of UNRES.

[unres.git] / examples / unres / new / MREMD / ff_gab / 1L2Y_MREMD_GB061.stat

diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat
deleted file mode 100644 (file)
index e038b02..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB061.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.553      20.946      60.500  12.87 0.000   NaN   NaN 0.931     358.850     400.000      15.552   61 
-     10000        2000.00      46.341      -4.145      42.196   9.81 0.000   NaN   NaN 1.774     420.432     400.000      13.596   61 
-     20000        4000.00      39.371      -0.688      38.683   5.87 0.071 0.857 0.344 1.950     357.196     400.000       8.946   61 
-     30000        6000.00      40.955       4.529      45.484   6.04 0.000   NaN   NaN 3.954     371.567     400.000      11.374   61 
-     40000        8000.00      41.139      -5.425      35.714   5.12 0.071 0.667 0.636 1.895     373.239     400.000       9.485   61 
-     50000       10000.00      35.556      13.787      49.343   4.97 0.143 0.600 0.164 1.175     322.580     400.000       8.287   61 
-     60000       12000.00      24.316     -12.316      11.999   4.17 0.286 0.600 0.414 2.122     220.603     400.000       7.745   61 
-     70000       14000.00      33.927      -3.580      30.347   7.66 0.143 0.500 0.182 2.340     307.805     400.000      10.677   61 
-     80000       16000.00      49.280     -10.218      39.062   5.66 0.000 1.000 0.465 1.838     447.096     400.000       8.548   61 
-     90000       18000.00      42.012      -5.386      36.626   5.01 0.071 0.750 0.614 1.777     381.155     400.000       8.337   61 
-    100000       20000.00      38.405       2.764      41.170  11.15 0.000 1.000 0.159 2.869     348.434     400.000      13.724   61 
-    110000       22000.00      30.970      -1.208      29.763   9.00 0.071 0.000 0.182 1.438     280.977     390.000      12.833   61 
-    120000       24000.00      39.329       4.028      43.357  11.14 0.000 1.000 0.136 1.528     356.814     390.000      14.694   61 
-    130000       26000.00      43.434       0.383      43.817   5.25 0.000 1.000 0.482 2.428     394.056     390.000       8.502   61 
-    140000       28000.00      40.321      19.848      60.169   6.32 0.000 1.000 0.500 1.902     365.815     390.000       9.090   61 
-    150000       30000.00      31.628     -19.027      12.602   4.33 0.071 0.500 0.205 2.652     286.949     390.000       8.306   61 
-    160000       32000.00      38.149       1.748      39.897   7.17 0.000 1.000 0.239 2.985     346.110     390.000       9.008   61 
-    170000       34000.00      47.425       1.629      49.054   7.99 0.000 1.000 0.258 1.845     430.263     390.000       9.564   61 
-    180000       36000.00      28.746      -7.964      20.782  10.75 0.071 0.000 0.136 1.851     260.802     390.000      13.955   61 
-    190000       38000.00      37.955       1.995      39.950   4.82 0.071 0.000 0.136 2.062     344.348     390.000      10.012   61 
-    200000       40000.00      35.747     -11.553      24.195   5.50 0.000 1.000 0.432 1.648     324.318     390.000       8.999   61 
-    210000       42000.00      43.870      -6.452      37.418   9.74 0.071 0.500 0.159 2.003     398.013     390.000      12.935   61 
-    220000       44000.00      35.508      -6.882      28.626   6.95 0.000 1.000 0.197 2.176     322.148     390.000       9.544   61 
-    230000       46000.00      33.947     -10.954      22.992   6.33 0.000 1.000 0.591 1.216     307.982     390.000       8.316   61 
-    240000       48000.00      34.517      -7.841      26.676   4.34 0.071 0.667 0.364 2.201     313.156     390.000       8.619   61 
-    250000       50000.00      47.182      -7.598      39.584   9.05 0.000   NaN   NaN 2.684     428.056     390.000      11.935   61 
-    260000       52000.00      45.365       5.607      50.972   5.15 0.143 0.714 0.500 1.537     411.578     390.000       8.540   61 
-    270000       54000.00      45.933      -9.470      36.463   5.22 0.071 0.500 0.705 2.860     416.732     390.000       8.882   61 
-    280000       56000.00      31.477     -12.026      19.451   7.26 0.071 0.667 0.242 1.737     285.576     390.000       9.969   61 
-    290000       58000.00      30.835      -3.809      27.026   5.89 0.071 0.500 0.136 1.845     279.751     390.000       9.917   61 
-    300000       60000.00      36.829       6.417      43.245   6.62 0.071 0.500 0.182 2.232     334.129     390.000      10.699   61 
-    310000       62000.00      35.455      -4.483      30.973  12.32 0.143 0.000 0.159 2.165     321.670     400.000      15.135   61 
-    320000       64000.00      41.974      -3.407      38.567   9.01 0.143 0.667 0.205 1.291     380.808     400.000      11.821   61 
-    330000       66000.00      49.434       4.554      53.988   8.50 0.071 0.500 0.159 1.376     448.490     400.000      10.804   61 
-    340000       68000.00      42.372       7.292      49.664   7.85 0.000 1.000 0.227 1.819     384.419     400.000       8.998   61 
-    350000       70000.00      34.632       7.790      42.422   9.61 0.000 1.000 0.167 1.622     314.197     400.000      11.968   61 
-    360000       72000.00      38.644      -3.505      35.139  10.26 0.000 1.000 0.273 1.519     350.599     400.000      12.405   61 
-    370000       74000.00      42.822      12.765      55.586   6.29 0.000 1.000 0.182 2.080     388.499     400.000      11.012   61 
-    380000       76000.00      29.900      21.892      51.792   6.30 0.071 0.667 0.152 1.593     271.270     400.000       9.365   61 
-    390000       78000.00      34.826      -0.055      34.771  10.61 0.071 0.000 0.136 3.585     315.957     400.000      13.980   61 
-    400000       80000.00      32.901       1.506      34.407   8.82 0.000   NaN   NaN 0.934     298.490     400.000      12.466   61 
-    410000       82000.00      33.156       5.252      38.409   4.93 0.071 0.857 0.273 2.393     300.812     400.000       7.502   61 
-    420000       84000.00      36.835      -1.125      35.710   6.86 0.000   NaN   NaN 2.561     334.185     400.000       8.855   61 
-    430000       86000.00      39.217      -7.761      31.455   7.58 0.000 1.000 0.212 1.761     355.794     400.000       9.527   61 
-    440000       88000.00      35.908      -5.245      30.663   7.51 0.000 1.000 0.208 1.973     325.776     400.000       8.557   61 
-    450000       90000.00      41.864      11.408      53.271   6.92 0.000   NaN   NaN 1.908     379.807     400.000       9.783   61 
-    460000       92000.00      39.056      -8.269      30.787   8.20 0.143 0.500 0.170 1.639     354.333     400.000      11.010   61 
-    470000       94000.00      46.113      -3.432      42.680   9.29 0.071 0.000 0.136 2.004     418.358     400.000      12.743   61 
-    480000       96000.00      34.352      -0.359      33.993   6.64 0.071 0.500 0.182 2.865     311.656     400.000      10.665   61 
-    490000       98000.00      39.215      -7.671      31.544   5.21 0.000 1.000 0.477 1.670     355.780     400.000       9.549   61 
-    500000      100000.00      34.421      -5.596      28.825   5.06 0.071 0.833 0.288 1.894     312.287     400.000       8.334   61 
-    510000      102000.00      26.774       1.762      28.535   5.17 0.143 0.667 0.311 2.664     242.903     390.000       8.403   61 
-    520000      104000.00      31.644      -6.437      25.207   9.89 0.071 0.667 0.212 1.069     287.091     390.000      12.238   61 
-    530000      106000.00      36.783      -8.523      28.260   6.03 0.071 0.667 0.197 1.592     333.712     390.000      10.372   61 
-    540000      108000.00      42.836      -9.124      33.712   4.43 0.143 0.600 0.355 1.181     388.629     390.000       8.605   61 
-    550000      110000.00      32.858     -11.333      21.525   5.95 0.214 0.750 0.379 1.329     298.108     390.000       7.344   61 
-    560000      112000.00      39.844       2.967      42.811   5.38 0.071 0.750 0.489 1.446     361.490     390.000       9.007   61 
-    570000      114000.00      29.881      -2.355      27.525   6.87 0.071 0.500 0.159 2.121     271.094     390.000       9.124   61 
-    580000      116000.00      39.285     -17.467      21.818   5.04 0.071 0.000 0.136 1.171     356.416     390.000       9.097   61 
-    590000      118000.00      46.874     -13.469      33.406   5.60 0.000 1.000 0.159 1.443     425.270     390.000       7.927   61 
-    600000      120000.00      33.489       1.358      34.847   5.05 0.143 0.667 0.250 3.844     303.829     390.000       7.754   61 
-    610000      122000.00      35.589     -11.235      24.355   6.53 0.143 0.500 0.193 1.350     322.884     370.000       9.476   61 
-    620000      124000.00      36.944      -9.115      27.829   9.23 0.071 0.667 0.197 1.645     335.179     370.000      11.089   61 
-    630000      126000.00      30.817      -5.067      25.750   6.94 0.214 0.400 0.173 1.755     279.590     370.000      10.294   61 
-    640000      128000.00      38.626      -8.743      29.884   5.76 0.071 0.750 0.148 1.262     350.438     370.000       8.834   61 
-    650000      130000.00      44.650     -26.442      18.208   6.02 0.143 0.750 0.335 2.514     405.086     370.000       7.112   61 
-    660000      132000.00      41.138      -6.115      35.023   5.91 0.143 0.714 0.409 2.096     373.226     370.000       8.315   61 
-    670000      134000.00      44.290       5.246      49.536   6.73 0.071 0.667 0.167 2.143     401.820     370.000       9.319   61 
-    680000      136000.00      33.991     -12.370      21.621   5.02 0.000 1.000 0.494 2.665     308.383     370.000       7.367   61 
-    690000      138000.00      36.664       5.421      42.085   5.97 0.000   NaN   NaN 1.944     332.637     370.000       9.746   61 
-    700000      140000.00      33.775      -1.570      32.204   8.92 0.143 0.000 0.159 3.720     306.424     370.000      13.092   61 
-    710000      142000.00      37.768     -20.283      17.485   8.52 0.143 0.333 0.136 1.392     342.649     370.000      12.475   61 
-    720000      144000.00      36.593      -5.451      31.142   9.55 0.071 0.000 0.136 2.035     331.994     370.000      12.752   61 
-    730000      146000.00      32.383     -22.325      10.058   5.73 0.214 0.625 0.290 1.563     293.797     370.000       8.193   61 
-    740000      148000.00      36.702      -8.287      28.416   5.46 0.071 0.000 0.136 1.827     332.984     370.000       8.159   61 
-    750000      150000.00      36.372       1.228      37.600   6.15 0.071 0.500 0.136 2.069     329.985     370.000      10.914   61 
-    760000      152000.00      44.535     -14.352      30.183   6.79 0.071 0.875 0.284 2.052     404.045     370.000       7.840   61 
-    770000      154000.00      40.195      -4.991      35.204   7.46 0.071 0.500 0.318 2.850     364.668     370.000       8.858   61 
-    780000      156000.00      30.454      -8.626      21.828   8.23 0.071 0.000 0.182 1.729     276.293     370.000      11.132   61 
-    790000      158000.00      36.609       1.508      38.117   4.62 0.143 0.714 0.312 2.343     332.140     370.000       7.850   61 
-    800000      160000.00      27.765      -5.264      22.501   5.54 0.000 1.000 0.636 1.914     251.902     370.000       9.686   61 
-    810000      162000.00      32.776      -9.807      22.969   5.33 0.143 0.600 0.209 1.008     297.365     360.000       9.790   61 
-    820000      164000.00      35.254     -20.235      15.018   5.04 0.214 0.727 0.529 2.825     319.839     360.000       7.676   61 
-    830000      166000.00      39.520      -9.594      29.926   5.54 0.071 0.750 0.307 1.580     358.548     360.000       9.709   61 
-    840000      168000.00      32.348      -8.237      24.111   4.34 0.214 0.571 0.292 1.589     293.479     360.000       7.748   61 
-    850000      170000.00      34.438     -13.735      20.703   5.78 0.071 0.800 0.555 2.664     312.439     360.000       8.118   61 
-    860000      172000.00      29.547      -3.186      26.362   6.42 0.071 0.750 0.409 1.186     268.069     360.000       8.298   61 
-    870000      174000.00      34.078      -1.283      32.795   5.77 0.000 1.000 0.545 1.789     309.169     360.000       9.034   61 
-    880000      176000.00      41.933     -19.194      22.739   4.91 0.071 0.667 0.167 1.109     380.435     360.000       8.433   61 
-    890000      178000.00      31.183     -17.069      14.114   6.17 0.071 0.500 0.386 1.413     282.905     360.000       9.225   61 
-    900000      180000.00      38.354     -17.285      21.069   5.98 0.071 0.900 0.445 2.284     347.969     360.000       7.205   61 
-    910000      182000.00      30.824       4.622      35.445   8.65 0.000 1.000 0.227 2.128     279.650     340.000      10.910   61 
-    920000      184000.00      34.287     -21.780      12.507   6.19 0.214 0.700 0.386 1.405     311.067     340.000       7.294   61 
-    930000      186000.00      28.760     -17.893      10.867   6.22 0.286 0.333 0.159 1.067     260.924     340.000       9.139   61 
-    940000      188000.00      32.372     -19.485      12.887   5.43 0.071 0.875 0.415 1.743     293.698     340.000       7.075   61 
-    950000      190000.00      38.391     -20.866      17.525   3.87 0.143 0.778 0.364 2.189     348.301     340.000       6.922   61 
-    960000      192000.00      35.091     -17.143      17.948   5.78 0.071 0.923 0.329 2.367     318.366     340.000       7.076   61 
-    970000      194000.00      35.152     -14.440      20.712   5.58 0.143 0.714 0.273 3.588     318.920     340.000       8.798   61 
-    980000      196000.00      32.665     -22.428      10.237  10.46 0.071 0.500 0.136 1.155     296.350     340.000      13.121   61 
-    990000      198000.00      49.790     -29.808      19.982   6.53 0.214 0.400 0.191 1.053     451.717     340.000       8.595   61 
-   1000000      200000.00      31.702     -23.478       8.223   4.19 0.214 0.500 0.152 1.103     287.613     340.000       8.245   61