[gmx-users] free energy of hydration using GB

[Neha Gandhi]

Dear List,

I have carried out simulations of peptide in explicit solvent without
using free energy keyword and lambda parameter in the .mdp file. Now I
want to calculate free energy of hydration (such as MM-GBSA). Is there
an alternate to get this calculation done in Gromacs?

Thank you for kind attention,
-- 
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
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