[gmx-users] Free Energy Calculation Using Tabulated Potentials

Nimesh Jain nimeshjain2010 at u.northwestern.edu
Tue Jul 20 21:53:32 CEST 2010


I am having some troubles calculating free energies. Can someone please tell
me if I have tabulated potentials, can I calculate free energy using the
gromacs options in the mdp file for free energies.
(If someone has done it, can you please provide a sample topology file.)

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