Hi Jason,
I am testing some things and I wanted to take advantage of this new functionality in ParmEd (great by the way :-)).
I can figure out how to use grobmer to go from grimaces .top to amber .prmtop, but how do I go the other way?
Is there some general info on the ParmEd github that I haven’t found?
All the best,
Sarah
> On 04 Jun 2015, at 14:33, Jason Swails <jason.swails.gmail.com> wrote:
>
> Hello everyone,
>
> There have been a couple questions in recent months regarding the
> conversion of Gromacs topology files to Amber format.
>
> This functionality now exists in the latest version of ParmEd available
> online at https://github.com/ParmEd/ParmEd in the "gromber" action in
> parmed.py.
>
> If you have questions about this functionality, please feel free to open an
> issue on the issue tracker at https://github.com/ParmEd/ParmEd/issues
>
> For what it's worth, this code also includes functionality to go the other
> way (i.e., Amber prmtop/inpcrd to Gromacs top/gro).
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Mon Jun 15 2015 - 07:00:03 PDT
