[gmx-users] Obtaining coordinates of atoms from trajectory file.

Justin Lemkul jalemkul at vt.edu
Tue Sep 16 19:44:57 CEST 2014

On 9/16/14 1:43 PM, Dawid das wrote:
> Dear gromacs experts,
> I'd like to obtain coordinates of a group of atoms from trajectory file.
> What I mean is simply get an output file with coordinates for each atom and
> for each frame.
> Is it possible to do that?

Yes.  Use g_traj with a suitable index file.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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