[gmx-users] forcefield for phosphorylated residues
jalemkul at vt.edu
Thu Dec 8 16:36:59 CET 2016
On 12/8/16 4:36 AM, Seera Suryanarayana wrote:
> Dear gromacs users,
> I have one protein with phosphoserine and phosphothreonine. I want to
> do simulation, but I do not know which force field I have to use. None
> of the force field from gromacs has the information of phospho
> residues. Then I tried with charm36, but did work. Kindly suggest me
> what I can do.
Well, CHARMM36 has everything you need included, so unless you explain what "did
not work" means (because it's the single most useless phrase in debugging
anything), there's little anyone can do to help you. Please describe exactly
what the problem was (commands, output, errors, etc).
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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