[gmx-users] Height of the box

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 12 06:36:01 CET 2009

naimah haron naimah wrote:
> Dear all...
> How to obtain the height of the box after MD simulation finish? This is 
> because, during simulation, I didn't put size of my box. The reason why 
> I didn't put the size because I want put the molecule in random 
> displacement to avoid bottlenecks. So the command  is
> editconf -f cat125.gro -o cat125_ed.gro -bt cubic

See http://www.gromacs.org/documentation/reference/online/gro.html for 
information about your box vectors.


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