[gmx-users] xtc/trr to dcd conversion

Justin Lemkul jalemkul at vt.edu
Fri Apr 21 15:40:06 CEST 2017

On 4/21/17 9:38 AM, abhisek Mondal wrote:
> But the link here http://www.ks.uiuc.edu/Development/MDTools/catdcd/ says
> that it concatenates .dcd files. I'm trying to convert here from xtc or
> trr. Will it work for me in such scenario ?

Yes, e.g. catdcd -o md.dcd -xtc md.xtc

It also works with .trr files.



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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