On 9/18/12 8:29 AM, Dr. Vitaly Chaban wrote:
Dear All -
I an using the current version of gromacs. Although I have
nstxout = 0
nstvout = 0
nstfout = 0
in the MDP file, the traj.trr file appears during the MD run (and is
quite large). In older versions, there was no traj.trr with such an
input.
Did I miss something, please?
The above combination should turn off production of a .trr file. Something
doesn't add up. Verify your settings in the .log and/or .tpr file - perhaps
you've mixed up .mdp files.
-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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