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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