[gmx-users] PDB and XYZ Structure Files in GROMACS

Lara Bunte lara.bunte at yahoo.de
Tue Sep 18 23:42:21 CEST 2012

Hi Justin

I really forgot this old mail. I am sorry for that. 

editconf worked :)


----- Ursprüngliche Message -----
Von: Justin Lemkul <jalemkul at vt.edu>
An: Lara Bunte <lara.bunte at yahoo.de>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Gesendet: 16:04 Dienstag, 18.September 2012
Betreff: Re: [gmx-users] PDB and XYZ Structure Files in GROMACS

On 9/18/12 9:58 AM, Lara Bunte wrote:
> Hello
> Is it possible with GROMACS to convert a given .pdb structure file to a .xyz structure file?




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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