dear all,
I have carried out REMD simulation on a peptide. Now I want to carry 2D PMF calculation using RMSD and a specific distance 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.
Regards,
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Received on Thu Nov 24 2011 - 21:30:03 PST
