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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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