[gmx-users] water box size from output files

[Justin A. Lemkul]

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

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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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