[gmx-users] About REMD specification in mdrun argument
leafyoung at yahoo.com
Tue Dec 2 07:16:25 CET 2008
each tpr contains only one temperature.
On Tue, Dec 2, 2008 at 1:29 PM, Lee Soin <nomadoro at gmail.com> wrote:
> Hi, everyone!
> There's something that I'm not clear about REMD in gromacs. Since all the
> inputs are unified into a unique .tpr file, why should the REMD options
> -multi and -replex be sprcified as mdrun arguments instead of being
> integrated into the same .tpr file?
> Sun Li
> Department of Physics
> Nanjing University, China
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