[gmx-users] Simulation of a protein confined in a box

Omer Markovitch omermar at gmail.com
Sat Oct 11 08:39:24 CEST 2008

In short - you can apply PBC in all directions (XYZ) by choosing the proper
keyword in the .mdp file, I believe the box dimensions are defined in .gro

Koby Levy research group,
Weizmann Institute of Science.

On Fri, Oct 10, 2008 at 16:00, Lee Soin <nomadoro at gmail.com> wrote:

> Maybe I didn't put it clearly. My intention is to simulate a protein
> confined in a box, and the problem is that I don't know how to define a
> boundary, or a wall, in GROMACS.
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