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lammps/examples/USER/fep/CH4hyd/fep01/fep01.fep
2021-03-08 00:05:48 +01:00

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# Time-averaged data for fix FEP
# TimeStep c_FEP[1] c_FEP[2] c_FEP[3]
100000 0.0924139 9400.63 10924.6
200000 0.24007 7502.01 10933.6
300000 0.444164 5573.73 10941
400000 0.72462 3736.66 10967.3
500000 0.750033 4691.89 10954.7
600000 0.642574 5400.68 10991.8
700000 0.43362 7126.12 10974.7
800000 0.339885 7618.73 10966.1
900000 0.16755 9358.12 10977.1
1000000 0.0774989 10563.7 11016.4
1100000 0.0678746 10493.2 10967.1
1200000 -0.00129942 11479.7 10995.5
1300000 -0.0193415 11762.7 10996.7
1400000 -0.0271895 11872.4 10995.1
1500000 -0.0533096 12288.7 10985.2
1600000 -0.0785828 12759.6 10999.8
1700000 -0.0930725 13034 11026.1
1800000 -0.115192 13431.8 10994.5
1900000 -0.138539 13934.9 10998.2
2000000 -0.162228 14431.7 10965