[gmx-users] Unknown left-hand 'pull-geometry' in parameter file

Mark Abraham mark.j.abraham at gmail.com
Mon Feb 8 13:00:56 CET 2016


Hi,

Yes, see
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2015-October/101214.html
 and
http://manual.gromacs.org/documentation/5.1.2/user-guide/mdp-options.html#com-pulling
for
the new syntax ;-)

Mark

On Mon, Feb 8, 2016 at 12:57 PM Alexander Alexander <
alexanderwien2k at gmail.com> wrote:

> Hi there,
>
> I get an well known below warning in invoking the "gmx gromacs ...." in my
> PMF calculation,
>
> Unknown left-hand 'pull-geometry' in parameter file.
>
> As you see the spelling is also fine and the point is that using this
> "pull-geometry" is critical in my calculation as when I get rid of this
> warning by "-maxwarn 1" and produced .tpr file successfully, then my md
> calculation will crashed later stating that I have to consider using
> "pull-geometry" .
>
> Version is : the newest version
>
> Any suggestion please?
>
> Regards,
>
> Alex
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