[gmx-users] generation of gro file

Justin Lemkul jalemkul at vt.edu
Sat Aug 17 12:23:53 CEST 2013

On 8/16/13 10:50 PM, Musharaf Ali wrote:
> Hi
> could somebody help how to generate grow file from xyz coordinates
> specially for crown ether type molecules.

The specifications of the .gro format are described here:


Note that there is no requirement to use .gro files in Gromacs.  Most formats 
will be recognized.

> Here the xyz coordinates are attached for 18-crown-6. Thank in advance.

FYI the mailing list does not accept attachments.



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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