[gmx-users] why traj.trr appears

[Justin Lemkul]

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

-- 
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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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