[gmx-users] nrexcl

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 29 20:30:01 CET 2016


Hi,

I expect that there isn't a maximum. But IIRC grompp tells you what it is
doing with exclusions, and the output of gmx dump -s your.tpr is definitive.

Mark

On Mon, Feb 29, 2016 at 8:24 PM Parvez Mh <parvezmh89 at gmail.com> wrote:

> Dear all,
>
> I would like to know what is the maximum  *nrexcl* allowed in gromacs.
>
> Regards
> Masrul
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