[gmx-users] protein near the edges of simulation box
shima_arasteh2001 at yahoo.com
Fri Jun 15 18:19:36 CEST 2012
OK, but as I know the trjconv is a command after mdrun, so when I get the output of mdrun and see it in VMD, it doesn't make different.
Now wondering what is the benefit of trjconv -center and -pbc?
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Shima Arasteh <shima_arasteh2001 at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Friday, June 15, 2012 8:24 PM
Subject: Re: [gmx-users] protein near the edges of simulation box
On 6/15/12 11:46 AM, Shima Arasteh wrote:
> Dear Elton,
> Where am I supposed to use trjconv -center ? when I want to get the mdrun?
trjconv is a post-processing command that can be used for a variety of purposes, of which one of the more common ones is to transform coordinates for convenient visualization through operations involving -center or -pbc.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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