[gmx-users] REMD simulations in Gromacs 3.3

Mark Abraham mark.abraham at anu.edu.au
Fri Feb 17 13:40:21 CET 2006

> Dear Gromacs users,
> I`m performing replica-exchange simulations of protein solutions. Is it
> possible to do that in Gromacs 3.3? When I insert mdrun -h I see some
> options for REMD simulations however to best of my knowledge there is no
> user manual for Gromacs 3.3 yet. I would be happy if it exists.

It exists, but isn't distributed on the gromacs website in a
readily-accessible form, presumably because it is not thought to be
exhaustively correct. You can do a cvs checkout of the manual, and build
it by hand, as I did some time ago. There are some instructions for this
somewhere on the gromacs website. There is a page of REMD documentation in


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