Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / microcanonical / RESPA / ff_1l2y / outputs / 1L2Y_micro_GB003.stat

diff --git a/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_GB003.stat b/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_GB003.stat
new file mode 100644 (file)
index 0000000..6281613
--- /dev/null
+++ b/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_GB003.stat
@@ -0,0 +1,101 @@
+         0           0.00      30.203      63.862      94.065   0.00 1.000 0.000 0.308 1.972     274.015     300.000       7.001    3 
+     10000         100.00      84.662       9.396      94.058   3.04 0.000 1.000 0.327 0.040     768.095     300.000       7.508    3 
+     20000         200.00      70.716      23.343      94.058   5.35 0.143 0.600 0.164 0.056     641.568     300.000       9.811    3 
+     30000         300.00      65.125      28.934      94.059   8.21 0.286 0.556 0.177 0.039     590.849     300.000       9.661    3 
+     40000         400.00      68.340      25.719      94.059   7.36 0.214 0.625 0.193 0.051     620.019     300.000       9.918    3 
+     50000         500.00      60.084      33.976      94.059   8.18 0.071 0.750 0.170 0.010     545.112     300.000       9.446    3 
+     60000         600.00      55.971      38.031      94.002   7.38 0.071 0.750 0.193 0.031     507.800     300.000       8.614    3 
+     70000         700.00      79.222      14.779      94.001   8.41 0.143 0.667 0.144 0.053     718.740     300.000      10.106    3 
+     80000         800.00      67.116      26.886      94.003   6.73 0.000 1.000 0.239 0.025     608.915     300.000      10.024    3 
+     90000         900.00      77.432      16.570      94.002   4.95 0.214 0.000 0.136 0.020     702.501     300.000       9.268    3 
+    100000        1000.00      70.310      23.692      94.002   6.45 0.071 0.667 0.167 0.032     637.885     300.000      10.193    3 
+    110000        1100.00      67.702      26.299      94.002   6.32 0.143 0.600 0.173 0.015     614.232     300.000      10.122    3 
+    120000        1200.00      74.534      19.468      94.002   3.15 0.143 0.667 0.197 0.020     676.212     300.000       7.859    3 
+    130000        1300.00      56.397      37.606      94.003   5.15 0.000 1.000 0.742 0.021     511.664     300.000       7.803    3 
+    140000        1400.00      65.465      28.537      94.002   6.69 0.000 1.000 0.409 0.054     593.936     300.000       8.288    3 
+    150000        1500.00      64.114      29.889      94.003   6.06 0.071 0.667 0.242 0.046     581.676     300.000       8.008    3 
+    160000        1600.00      78.216      15.786      94.002   5.40 0.000 1.000 0.369 0.021     709.613     300.000       7.065    3 
+    170000        1700.00      53.903      40.100      94.003   4.79 0.143 0.750 0.307 0.018     489.032     300.000       8.189    3 
+    180000        1800.00      72.592      21.409      94.001   5.92 0.000 1.000 0.455 0.016     658.591     300.000       8.500    3 
+    190000        1900.00      81.417      12.584      94.001   6.59 0.071 0.800 0.327 0.039     738.656     300.000       8.362    3 
+    200000        2000.00      66.708      27.295      94.002   4.91 0.071 0.000 0.182 0.026     605.206     300.000       9.333    3 
+    210000        2100.00      83.369      10.631      94.000   6.60 0.071 0.667 0.197 0.095     756.367     300.000      10.132    3 
+    220000        2200.00      63.496      30.505      94.000   8.19 0.143 0.500 0.170 0.114     576.065     300.000      10.750    3 
+    230000        2300.00      71.858      22.143      94.001   7.94 0.071 0.667 0.152 0.025     651.936     300.000      11.616    3 
+    240000        2400.00      62.252      31.749      94.001   6.34 0.000 1.000 0.273 0.064     564.782     300.000      10.081    3 
+    250000        2500.00      70.523      23.479      94.002   6.54 0.071 0.750 0.205 0.023     639.820     300.000       9.550    3 
+    260000        2600.00      66.077      27.924      94.001   8.48 0.071 0.667 0.152 0.028     599.486     300.000      10.804    3 
+    270000        2700.00      47.788      46.214      94.003   7.38 0.071 0.500 0.182 0.024     433.560     300.000      10.028    3 
+    280000        2800.00      71.736      22.266      94.002   6.96 0.071 0.800 0.245 0.070     650.825     300.000       8.788    3 
+    290000        2900.00      73.805      20.197      94.001   6.56 0.071 0.750 0.352 0.037     669.594     300.000       8.803    3 
+    300000        3000.00      65.667      28.336      94.003   4.87 0.143 0.667 0.205 0.023     595.766     300.000       8.191    3 
+    310000        3100.00      63.505      30.497      94.002   4.81 0.071 0.500 0.205 0.019     576.149     300.000       8.911    3 
+    320000        3200.00      70.713      23.290      94.003   6.60 0.143 0.000 0.136 0.012     641.542     300.000       9.420    3 
+    330000        3300.00      75.126      18.877      94.002   7.09 0.000 1.000 0.167 0.038     681.578     300.000       9.803    3 
+    340000        3400.00      69.876      24.126      94.002   6.39 0.071 0.857 0.240 0.058     633.955     300.000       8.360    3 
+    350000        3500.00      68.906      25.095      94.001   8.34 0.071 0.500 0.136 0.070     625.154     300.000      12.495    3 
+    360000        3600.00      69.656      24.346      94.002   6.59 0.071 0.500 0.182 0.031     631.958     300.000      10.045    3 
+    370000        3700.00      67.145      26.858      94.003   8.70 0.071 0.667 0.182 0.048     609.174     300.000      12.607    3 
+    380000        3800.00      69.849      24.152      94.001   8.91 0.071 0.500 0.136 0.064     633.703     300.000      11.901    3 
+    390000        3900.00      64.543      29.463      94.005   7.39 0.071 0.500 0.250 0.071     585.563     300.000       9.116    3 
+    400000        4000.00      55.742      38.261      94.003   5.94 0.000 1.000 0.197 0.023     505.723     300.000       9.818    3 
+    410000        4100.00      70.944      23.059      94.002   5.16 0.000 1.000 0.159 0.056     643.636     300.000       9.610    3 
+    420000        4200.00      54.320      39.683      94.003   8.63 0.000   NaN   NaN 0.016     492.822     300.000      12.577    3 
+    430000        4300.00      60.810      33.193      94.002  10.85 0.000   NaN   NaN 0.033     551.697     300.000      14.477    3 
+    440000        4400.00      64.200      29.802      94.002   9.05 0.071 0.500 0.159 0.054     582.460     300.000      12.473    3 
+    450000        4500.00      61.730      32.272      94.002   7.56 0.071 0.667 0.152 0.080     560.048     300.000      11.758    3 
+    460000        4600.00      65.969      28.033      94.002   8.08 0.071 0.667 0.182 0.092     598.503     300.000      10.946    3 
+    470000        4700.00      60.415      33.587      94.002   6.28 0.214 0.000 0.136 0.044     548.117     300.000       9.798    3 
+    480000        4800.00      78.583      15.418      94.001   4.71 0.071 0.500 0.182 0.049     712.946     300.000       9.355    3 
+    490000        4900.00      75.132      18.870      94.002   6.99 0.214 0.571 0.188 0.030     681.640     300.000       9.455    3 
+    500000        5000.00      66.963      27.039      94.002   8.03 0.071 0.800 0.191 0.041     607.524     300.000      10.685    3 
+    510000        5100.00      75.869      18.133      94.002   6.18 0.071 0.500 0.136 0.045     688.325     300.000       9.342    3 
+    520000        5200.00      61.995      32.008      94.002   6.02 0.000   NaN   NaN 0.039     562.447     300.000      10.703    3 
+    530000        5300.00      66.128      27.875      94.003   7.32 0.071 0.667 0.197 0.029     599.944     300.000      10.799    3 
+    540000        5400.00      66.232      27.771      94.003   6.81 0.000 1.000 0.250 0.050     600.889     300.000      10.619    3 
+    550000        5500.00      77.534      16.468      94.002   6.30 0.071 0.750 0.148 0.034     703.432     300.000       9.998    3 
+    560000        5600.00      86.607       7.395      94.002   4.01 0.286 0.500 0.250 0.022     785.741     300.000       8.323    3 
+    570000        5700.00      73.023      20.979      94.002   4.06 0.214 0.500 0.189 0.030     662.505     300.000       8.099    3 
+    580000        5800.00      71.035      22.967      94.002   5.65 0.071 0.750 0.170 0.027     644.470     300.000       8.782    3 
+    590000        5900.00      59.135      34.867      94.002   9.00 0.071 0.750 0.159 0.032     536.507     300.000      11.546    3 
+    600000        6000.00      62.256      31.746      94.002   8.76 0.071 0.500 0.136 0.063     564.819     300.000      12.029    3 
+    610000        6100.00      63.397      30.605      94.002   6.68 0.071 0.750 0.250 0.038     575.172     300.000       9.445    3 
+    620000        6200.00      62.195      31.807      94.002   7.15 0.071 0.667 0.152 0.041     564.266     300.000      10.402    3 
+    630000        6300.00      55.728      38.275      94.004   6.87 0.071 0.000 0.136 0.010     505.597     300.000       9.790    3 
+    640000        6400.00      77.322      16.681      94.002   6.32 0.143 0.333 0.152 0.052     701.501     300.000       9.824    3 
+    650000        6500.00      63.401      30.600      94.001   7.09 0.071 0.667 0.167 0.054     575.210     300.000      11.670    3 
+    660000        6600.00      77.328      16.673      94.002   8.42 0.000 1.000 0.182 0.026     701.564     300.000      12.607    3 
+    670000        6700.00      56.767      37.237      94.003   7.45 0.071 0.750 0.170 0.035     515.016     300.000      10.366    3 
+    680000        6800.00      62.871      31.131      94.002   4.90 0.071 0.667 0.364 0.057     570.400     300.000       8.961    3 
+    690000        6900.00      67.853      26.149      94.002   4.18 0.071 0.667 0.227 0.018     615.600     300.000       8.748    3 
+    700000        7000.00      67.430      26.573      94.002   8.31 0.071 0.667 0.167 0.038     611.755     300.000      12.275    3 
+    710000        7100.00      74.724      19.293      94.017   9.26 0.000 1.000 0.182 0.029     677.933     300.000      13.237    3 
+    720000        7200.00      58.019      36.000      94.019   6.81 0.071 0.667 0.136 0.030     526.376     300.000      10.988    3 
+    730000        7300.00      58.303      35.715      94.018   4.98 0.000 1.000 0.318 0.021     528.959     300.000       8.473    3 
+    740000        7400.00      66.788      27.230      94.018   5.80 0.000 1.000 0.250 0.049     605.935     300.000       8.917    3 
+    750000        7500.00      59.414      34.604      94.018   6.40 0.000 1.000 0.218 0.048     539.038     300.000       7.957    3 
+    760000        7600.00      62.009      32.007      94.017   6.39 0.071 0.500 0.182 0.039     562.578     300.000       9.603    3 
+    770000        7700.00      59.867      34.150      94.017   6.49 0.071 0.500 0.159 0.048     543.142     300.000       9.795    3 
+    780000        7800.00      73.013      21.004      94.017   6.83 0.071 0.833 0.182 0.022     662.409     300.000       8.543    3 
+    790000        7900.00      71.865      22.152      94.016   7.73 0.071 0.500 0.136 0.039     651.995     300.000      10.095    3 
+    800000        8000.00      66.522      27.496      94.018   8.32 0.071 0.500 0.136 0.061     603.526     300.000      12.129    3 
+    810000        8100.00      65.012      29.006      94.018   5.64 0.143 0.333 0.152 0.028     589.824     300.000      10.050    3 
+    820000        8200.00      63.606      30.411      94.017   4.35 0.000 1.000 0.182 0.047     577.069     300.000       9.224    3 
+    830000        8300.00      50.576      43.443      94.019   4.25 0.000 1.000 0.318 0.023     458.852     300.000       9.138    3 
+    840000        8400.00      66.972      27.046      94.018   5.54 0.143 0.600 0.182 0.030     607.605     300.000      10.361    3 
+    850000        8500.00      69.299      24.718      94.018   9.46 0.000 1.000 0.182 0.021     628.718     300.000      12.836    3 
+    860000        8600.00      77.645      16.372      94.017   8.50 0.071 0.500 0.136 0.022     704.440     300.000      12.129    3 
+    870000        8700.00      76.946      17.070      94.016   6.39 0.000 1.000 0.284 0.039     698.097     300.000       8.933    3 
+    880000        8800.00      72.511      21.507      94.017   5.06 0.071 0.800 0.436 0.047     657.853     300.000       7.601    3 
+    890000        8900.00      78.453      15.564      94.017   6.70 0.071 0.800 0.291 0.021     711.769     300.000       8.215    3 
+    900000        9000.00      68.471      25.545      94.016   6.31 0.071 0.750 0.227 0.018     621.203     300.000      10.258    3 
+    910000        9100.00      60.903      33.115      94.018   7.79 0.000   NaN   NaN 0.033     552.546     300.000      10.668    3 
+    920000        9200.00      57.884      36.133      94.018   6.34 0.071 0.857 0.273 0.030     525.157     300.000       8.749    3 
+    930000        9300.00      71.792      22.225      94.017   7.87 0.143 0.333 0.197 0.032     651.333     300.000       9.082    3 
+    940000        9400.00      71.809      22.206      94.016   6.44 0.071 0.857 0.240 0.064     651.491     300.000       8.365    3 
+    950000        9500.00      61.379      32.639      94.017   7.80 0.000 1.000 0.167 0.061     556.859     300.000       8.905    3 
+    960000        9600.00      70.096      23.922      94.018   8.13 0.071 0.750 0.205 0.034     635.948     300.000      11.334    3 
+    970000        9700.00      60.469      33.549      94.018   6.70 0.143 0.333 0.167 0.020     548.602     300.000       9.349    3 
+    980000        9800.00      61.449      32.568      94.018   6.17 0.071 0.800 0.191 0.037     557.498     300.000       8.851    3 
+    990000        9900.00      68.241      25.776      94.017   7.30 0.000 1.000 0.250 0.011     619.116     300.000       9.712    3 
+   1000000       10000.00      54.817      39.201      94.018   8.40 0.071 0.000 0.136 0.020     497.331     300.000      10.473    3