[gmx-users] Getting pdb structure

Justin Lemkul jalemkul at vt.edu
Fri Mar 25 14:32:53 CET 2016

On 3/25/16 9:30 AM, Amali Guruge wrote:
> Dear All,
> I want to get the pdb structure of the system in 8000 ps time. The whole
> simulation contains 20000 ps. How can I get the pdb structure of the system
> at that time?
> Can anyone help me?

gmx trjconv -dump 8000 -o out.pdb



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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