[gmx-users] Writing initial coordinates to trajectory files

Berk Hess gmx3 at hotmail.com
Fri Nov 30 16:55:39 CET 2007

I don't understand what it is you want.
The initial coordinates are written immediately to the trr file,
although the file system might buffer data, you so could have to wait
until some more frames have been written.

But the initial coordinates are the ones you used to generate the tpr file,
so I don't see why you would want those.
editconf -f topol.tpr would also give you those coordinates in gro or pdb 


>From: Brian Helfrich <brian at nanorex.com>
>Reply-To: helfrich at nanorex.com,Discussion list for GROMACS users 
><gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] Writing initial coordinates to trajectory files
>Date: Fri, 30 Nov 2007 10:43:28 -0500
>Is there a setting, or some standard way to write out the initial 
>coordinates of a system to the trajectory file instead of it waiting 
>nstxout steps?
>Thanks very much,
>PS. I sent this a couple days ago originally - must have gotten lost. 
>Apologies if both make it through.
>Brian Helfrich
>gmx-users mailing list    gmx-users at gromacs.org
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