[gmx-users] water box size from output files

Justin A. Lemkul jalemkul at vt.edu
Mon Jul 25 17:15:10 CEST 2011

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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