[gmx-users] Generate many random configurations

Justin Lemkul jalemkul at vt.edu
Fri Mar 7 15:10:39 CET 2014

On 3/7/14, 8:23 AM, rankinb wrote:
> I agree with you now.  Thanks for your input.  This was a very helpful
> conversation.  I have decided to write my own program in Matlab.  That being
> said, I assume there is a way to export files from Matlab to a .gro specific
> file format.  Do you know if this is true or not?

No clue, but anything can be written in the correct format, I assume.  The .gro 
specifications are online:




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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