[gmx-users] PTR is not found in residue topology database

Justin Lemkul jalemkul at vt.edu
Fri Sep 25 16:55:24 CEST 2015

On 9/25/15 10:50 AM, Amali Guruge wrote:
> Dear all,
> My enzyme contains PTR (phosphotyrosine) molecule which connect to the DNA.
> When I run the command pdb2gmx, it gives an error stating that PTR is not
> found in residue topology database.
> How can I fix this problem?
> Can anyone help me?




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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