[gmx-users] Amber03 parameters for PTR

Justin Lemkul jalemkul at vt.edu
Wed Oct 14 11:47:08 CEST 2015

On 10/14/15 5:02 AM, Amali Guruge wrote:
> Dear All,
> I want to do a molecular dynamic simulation for pdb ID 1K4T crystal
> structure using Amber03 force field. The structure contains phosphotyrosine
> (PTR). But parameters for PTR is not available in aminoacids.rtp file.
> Therefore can anyone help me to solve my problem.




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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