VMD-L Mailing List
From: David Huggins (djh210_at_cam.ac.uk)
Date: Fri Jan 25 2013 - 07:41:58 CST
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Dear All,
I am using the ParseFEP Plugin from VMD to compute solvation free
energies and I have perfomed forwards and backwards FEP simulations
using NAMD .
I have a query about using SOS or BAR. Can these methods be used to
compute entropies and enthalpies in addition to free energies? If so,
how can this data be extracted?
Best wishes and thanks,
Dave
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