[gmx-users] Free energy calculations using tabulated potential

Gianluca DEL FRATE gianluca.delfrate at sns.it
Tue May 9 14:51:14 CEST 2017

Dear GMX users,
I am simulating metal ions in water by using user tabulated potentials to
reproduce a customized force field pretty different from the standard
Is it possible to compute the free energy of hydration with BAR method by
using potentials in this form?

Thanks in advance

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