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?
Sincerely,
Shima
________________________________
From: Justin A. Lemkul <[email protected]>
To: Shima Arasteh <[email protected]>; Discussion list for GROMACS
users <[email protected]>
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
-- ========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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