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lammps/examples/USER/fep/CH4hyd/fep10/fep10.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 0.158157 8461.17 11000.7
200000 0.139178 8759.55 11001
300000 0.128455 8934.01 11008.5
400000 0.116877 9111.62 10984.6
500000 0.0959445 9536.39 11034.6
600000 0.0799249 9773.35 10979.5
700000 0.0720308 9995.68 11018.3
800000 0.0517984 10422 11007.4
900000 0.047168 10511.6 10986.7
1000000 -0.0106684 11744.2 10959
1100000 -0.0333101 12445.3 10955.3
1200000 0.000259362 11553.2 10975.3
1300000 -0.0989019 15082.8 11002.9
1400000 -0.136202 16006.9 11015.9
1500000 -0.35317 28280.3 10979.5
1600000 -0.376527 27994.4 10941.1
1700000 -0.466717 28704.9 10977.5
1800000 -0.40276 22879.4 10952.8
1900000 -0.236423 16600.5 10966
2000000 -0.0676637 12337.9 10936.9