On 8/9/12 2:21 PM, Shima Arasteh wrote:
You mean I can not see the NPT equilibration process!
I mean exactly what I said. You can load the .xtc file as data for a coordinate
file in, e.g. VMD, and watch the movie of the simulation after it is complete.
-Justin
Sincerely,
Shima
----- Original Message -----
From: Justin Lemkul <jalem...@vt.edu>
To: Shima Arasteh <shima_arasteh2...@yahoo.com>; Discussion list for GROMACS users
<gmx-users@gromacs.org>
Cc:
Sent: Thursday, August 9, 2012 10:45 PM
Subject: Re: [gmx-users] Visualizing a process
On 8/9/12 2:12 PM, Shima Arasteh wrote:
Hi,
Is it possible to view the process of a NPT or NVT equilibration? Which command
in gromacs can generate a .xtc output?
Only mdrun writes .xtc files of simulations. As far as I know, one cannot
watch the simulation in real time but .xtc files can be visualized in a variety
of viewing programs after the simulation is complete.
-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
========================================
--
========================================
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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