From: dbaogen (dbaogen_at_gmail.com)
Date: Sat May 04 2013 - 02:23:19 CDT
I have met a problem to deal with free energy calculation using ParseFEP plugin. The forward analysis of FEP calculation using NAMD software is divided into several parts when lambda value is changed from 0 to 1. For example, lambda: 0~0.2, 0.2~0.4,.... Using the same strategy, backward analysis is also done.
Under this condition, if I want to use ParseFEP plugin to calculate relative free energy, what should I do to deal with several forward and backward *.fepout files. Would you like to give me some help. Thanks for any suggestions.
Beijing computational science research center
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