[gmx-users] How to make changes on Trajectory file?

Justin Lemkul jalemkul at vt.edu
Mon Jul 15 18:11:02 CEST 2013

On 7/15/13 12:08 PM, Rama wrote:
> Hi,
> I saved my coordinates every 500ps in production MD run, could I alter now
> .xtc file by saving different coordinates for ex: every 100ps. Is there any
> command to alter the files.

You can't create frames that aren't there.  You can decrease the frame interval 
using trjconv -skip, but you can't perform magic the other way around.



Justin A. Lemkul, Ph.D.
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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