[gmx-users] Van der Waals force extraction in Gromacs 5.0

Mark Abraham mark.j.abraham at gmail.com
Tue Oct 6 11:57:48 CEST 2015


Hi,

No. Force components are never stored. You might be able to use mdrun
-rerun with a suitably hacked .tpr to get what you want.

Mark

On Tue, Oct 6, 2015 at 11:34 AM gozde ergin <gozdeeergin at gmail.com> wrote:

> Dear users,
>
> Is there way to extract only van der Waals forces from trajectory in
> Gromacs 5.0?
>
> Thanks in advance
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