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-- Jason M. Swails BioMaPS, Rutgers University Postdoctoral Researcher > On Jun 15, 2015, at 7:46 AM, Sarah Witzke <witzke.sdu.dk> wrote: > > 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 >> _______________________________________________ >> AMBER mailing list >> AMBER.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Mon Jun 15 2015 - 08:00:02 PDT