[gmx-users] umbrella sampling using replica exchange

[Justin A. Lemkul]

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

========================================