[gmx-users] forcefield for phosphorylated residues

Justin Lemkul 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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