[gmx-users] WHAM

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu Sep 16 13:39:24 CEST 2010


I have carried out REMD simulation on a protein (20 replicas). Now I want to
carry 2D PMF calculation using RMSD and Radius of gyration as the reaction
coordinates using Grossfield Lab's WHAM package. For this what should be my
input parameters to the WHAM program and in which format?
Any suggestion in this regard is welcome.


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