[gmx-users] PTM force field
jalemkul at vt.edu
Thu Dec 18 12:07:17 CET 2014
On 12/18/14 6:05 AM, Jianqing Xu wrote:
> Thanks Justin,
> I do want to manually add the new parameters into the existing Amber force
> field in Gromacs.
> In the folder of each force field "....../share/gromacs/top/*.ff". There
> are many files. Some of them are obvious to modify (e.g. aminoacids.rtp).
> Could you please advise a complete file list that I should modify? or a
> link of tutorials at somewhere I can read and follow. Thank you very much!
And, of course, Chapter 5 of the manual.
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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