[gmx-users] Force field transformation from Gromacs to Charmm format

Justin Lemkul jalemkul at vt.edu
Mon Dec 19 02:33:45 CET 2016

On 12/18/16 12:22 PM, Dawid das wrote:
> Dear All,
> Have you ever seen a script/tool that allows for transformation of the
> Gromacs force field files
> into CHARMM force field files? I can see that there is a Pythons script
> that does the other
> way around.
> Also I could use a tool that creates *.psf file from *.top file. I googled
> for that and found this
> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/top2psf/top2psf.pl
> Would you recommend anything else?




Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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