[gmx-users] water box size from output files

[Rabab Toubar]

Thanks Justin for your reply. But what is the extension of the output coordinate file. And for the .edr file it failed to open in windows; how can I possibly view it

Thanks
Rabab Toubar



--- On Mon, 7/25/11, Justin A. Lemkul <jalemkul at vt.edu> wrote:

> From: Justin A. Lemkul <jalemkul at vt.edu>
> Subject: Re: [gmx-users] water box size from output files
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Monday, July 25, 2011, 11:15 AM
> 
> 
> Rabab Toubar wrote:
> > Hi
> > 
> > I was wondering if there is a way to determine the
> water box size from the output files after the simulation
> run is over
> > 
> 
> Box vectors are printed to the output coordinate file
> (final snapshot) and can be extracted from along the
> trajectory from the .edr file.
> 
> -Justin
> 
> -- ========================================
> 
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> 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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