[gmx-users] (no subject)
jalemkul at vt.edu
Wed Apr 13 15:11:51 CEST 2016
On 4/13/16 9:08 AM, ali osouli wrote:
> Dear all
> After the md simulation when i try to convert my *.gro file to a *.pdb
> file, the output lacks the atom type column, is there any way to make the
> "trjconv" tool to add this column to the output pdb file? Or is there any
> other tool to the gro2pdb conversion?
editconf is usually a bit easier to use for simple coordinate file conversions,
but no format supports atom type information, only names, numbers, and coordinates.
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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