[gmx-users] FEP vs PMF
alexanderwien2k at gmail.com
Mon Nov 21 18:13:27 CET 2016
Dear gromacs user,
For a reaction (dissociation of a amino acid from a solid surface in
aqueous solution), I have calculated the "\Delta\Delta G" by free energy
perturbation method in alchemical analysis, and also for the same reaction
I have calculated the PMF by umbrella sampling.
I was wondering how I can compare these two results together?
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