[gmx-users] couple-moltype in FREE ENERGY calculation

hind ahmed aa.hind at hotmail.com
Thu Feb 20 17:37:00 CET 2020


Dear All,
I want to calculate the free energy of two different types of molecules in the same system. Is there a way to do this in gromacs?
couple-moltype           = CHOL  DPPC
Did not find any molecules of type 'CHOL DPPC' for coupling,

Regards,
Hind


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