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:
http://manual.gromacs.org/online/gro.html
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
--
==================================================
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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