[gmx-users] correction of pmf profile due to entropic decrease

Alex alexanderwien2k at gmail.com
Tue Dec 6 13:17:01 CET 2016

Hello gmx user,

Do we need always correct the PMF profile by "$k_{B}T*log[4π(\epsilon)^2]$"
factor in which epsilon is reaction coordinate in order to removes the
entropic decrease? as been mentioned here:


Hub, J. S.; de Groot, B. L.; van der Spoel, D.J. Chem. Theory
Comput.2010,6, 3713-3720

Best regards,

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