[gmx-users] Possible to extract gro file from a tpr?
Mark Abraham
mark.j.abraham at gmail.com
Fri Mar 30 20:35:55 CEST 2018
Just say No! :-)
On Fri, Mar 30, 2018, 19:58 Alex <nedomacho at gmail.com> wrote:
> Or, and that is a very peculiar option, genion with -conc 0. :)
>
> Alex
>
>
> On 3/30/2018 4:28 AM, Justin Lemkul wrote:
> > On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl <vivecalindahl at gmail.com>
> > wrote:
> >
> >> Hi users,
> >>
> >> Is it possible to extract a gro file from a tpr? Unfortunately 'gmx
> mdrun
> >> -nsteps 0' does not give a confout.gro :)
> >>
> > Just use editconf.
> >
> > -Justin
> >
> >
> >> --
> >> Viveca
> >> --
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