[gmx-users] REMD using Gromacs 3.2.1

Justin A. Lemkul jalemkul at vt.edu
Mon Dec 24 20:14:30 CET 2007

It looks from the update history (http://www.gromacs.org/content/view/18/132/)
that REMD is a new feature as of version 3.3.


Quoting Monika <mon_sharma at research.iiit.ac.in>:

> Dear All,
> I have one query regarding usage of version 3.2.1 of GROMACS for replica
> exchange. I could not find any mention at the 3.2 manual for replica
> exchange, as I could find for version 3.3 and above. For eg., by using
> -replex option. So how can one perform replica exchange using 3.2.1? Is
> replica exchange can be done using 3.2.1? If yes, then how to perform
> REMD? (I mean the commands)
> Thanks in advance.
> Regards,
> Monika
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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