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lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.fep
2021-06-29 11:23:47 -04:00

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# Time-averaged data for fix FEP
# TimeStep c_FEP[1] c_FEP[2] c_FEP[3]
100000 0.164332 13580.8 17770.4
200000 0.129134 14470.4 17769.5
300000 0.113694 14856.5 17741.9
400000 0.0945078 15445.3 17780.8
500000 0.0562545 16508.6 17735.1
600000 0.0490523 16733.2 17757.8
700000 -0.0236465 19372.6 17801.7
800000 -0.0387399 19901 17785.3
900000 -0.0718098 21703.2 17802.6
1000000 -0.118193 24005.7 17774.1
1100000 -0.170254 26527.3 17789.9
1200000 -0.297445 41864.5 17773.6
1300000 -0.431516 50576.8 17744
1400000 -0.467669 44025.5 17719.1
1500000 -0.317884 31440.4 17731.3
1600000 -0.218939 25792.6 17718.6
1700000 -0.107798 21322.2 17753.1
1800000 -0.0458874 19135.5 17706.5
1900000 -0.015392 18211.1 17744.9
2000000 -0.00224303 17811.3 17744.3