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lammps/examples/USER/fep/CH4hyd/fdti01/fdti01.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 0.000825924 10909.6 10924.6
200000 0.0058514 10827 10933.6
300000 0.0126833 10711.5 10941
400000 0.0220624 10570.7 10967.3
500000 0.0232183 10542 10954.7
600000 0.0200945 10633.6 10991.8
700000 0.0135137 10734.9 10974.7
800000 0.0106469 10775.9 10966.1
900000 0.00498044 10888.1 10977.1
1000000 0.00197392 10981.8 11016.4
1100000 0.00179706 10935.5 10967.1
1200000 -0.000595793 11007.2 10995.5
1300000 -0.0011627 11018.8 10996.7
1400000 -0.00136585 11021.1 10995.1
1500000 -0.00227648 11027.6 10985.2
1600000 -0.00317171 11058.8 10999.8
1700000 -0.003654 11094 11026.1
1800000 -0.00445653 11077.2 10994.5
1900000 -0.00533782 11097.2 10998.2
2000000 -0.00623909 11080.4 10965
2100000 -0.00663295 11076.8 10954.2