[gmx-users] PTM force field

Justin Lemkul 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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