[gmx-users] Fwd: Is_trjcat_suitable_for_concatenating_REMD_trajectorie

Mark Abraham mark.j.abraham at gmail.com
Fri Apr 3 11:08:50 CEST 2015


There's nothing in GROMACS that specifically supports reweighting
replica-exchange simulations.

On 03/04/2015 10:03 am, "NISHA Prakash" <nishnith20591 at gmail.com> wrote:

> Hi,
> Can somebody please help with WHAM reweighting scheme for REMD analysis.
> The command "gmx wham" works for Umbrella sampling simulation but I couldnt
> find a way out for T-REMD.
> There are similar questions which have been posted here but unfortunately,
> I haven't found answers for the same.
> WHAM for REMD has been well documented for AMBER but I couldnt find any
> help for Gromacs.
> I am a novice in the field and help is appreciated.
> Thanks!
> Nisha
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