[gmx-users] Converting a tpr file to an older version of gromacs

Mariem Ghoula mariemghoula at gmail.com
Fri Apr 10 13:57:30 CEST 2020


Hi Paul,

Thank you for your reply. In fact, there is the GMXPBSA tool but I still
have errors with that too when I run it on the examples provided in the
installation folder. I tried to seek some help but the developers aren't
responding.

Thank you anyway!

- Mariem

Le ven. 10 avr. 2020 à 09:34, Paul bauer <paul.bauer.q at gmail.com> a écrit :

> Hello,
>
> there is no real supported way of doing this. You would need to
> re-create the TPR in the version you want to use it in.
> Can you use an external tool instead of g_mmpbsa that supports reading
> the newer file format?
>
> Cheers
>
> Paul
>
> On 09/04/2020 17:24, Mariem Ghoula wrote:
> > Hi,
> >
> > I would like to use g_mmpbsa on my protein-protein complex simulation.
> > However, after a few errors with the module due to tpr files version
> > mismatch and after reading some posts with the same issue, I came to the
> > conclusion that I need to convert my tpr file to an older version. Can
> you
> > please help me with this? After installing the old version of gromacs
> that
> > is compatible with the g_mmpbsa program, how can I convert my tpr file
> > issued from an 2019.5 version to an older one (5.0.7)?
> >
> > Thanks a lot.
> >
> > - Mariem
>
>
> --
> Paul Bauer, PhD
> GROMACS Development Manager
> KTH Stockholm, SciLifeLab
> 0046737308594
>
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