[gmx-users] convert amber to gromacs
jalemkul at vt.edu
Fri Jul 18 17:42:15 CEST 2014
On 7/18/14, 11:19 AM, Tom wrote:
> Dear Gromacs,
> i have a set of amber force field parameter from literature.
> i have to convert them into gromacs.
> i am wondering if there is any spreadsheet available to
> do this manual conversion to prevent any mistake.
I don't know about spreadsheets, but conversion scripts abound across the
Internet. For instance, check out ambconv from
http://www.gromacs.org/Downloads/User_contributions/Other_software; there is
also amb2gmx.pl that exists in various forms across the Web. The conversion
factors are rather straightforward.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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