[gmx-users] Replica exchange and wham
msanku65 at yahoo.com
Thu Jul 7 19:02:23 CEST 2011
Occasionally I hear that one need to use WHAM( weighed histogram analysis)
method in collaboration with Temperature-Replica exchange simulation. But, I
was not understanding why one need to use WHAM with temperature-remd simulation.
Can someone explain me ?
Does one need to use any sorts of WHAM to analyze the trajectory obtained from
T-REMD simulation of Gromacs ?
The fact is that I am trying some replica-exchange simulation in gromacs and I
get all the trajectory which I believed corresponds to each individual
temperature. I was wondering whether someone can explain me whether I need to
some WHAM-like post processing to get the data.
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