[gmx-users] umbrella sampling using replica exchange

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 2 00:36:22 CEST 2011

Sanku M wrote:
> Hi,
>  I was wondering whether in gromacs 4, one can use replica exchange 
> simulation in combination with umbrella sampling.

In theory, yes.  Whether or not it is efficient or stable is perhaps another matter.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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