[gmx-users] PTM force field

[Justin Lemkul]

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!
>

http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field

And, of course, Chapter 5 of the manual.

-Justin

-- 
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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
http://mackerell.umaryland.edu/~jalemkul

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