[gmx-users] Height of the box
ichorny at gmail.com
Thu Mar 12 06:51:35 CET 2009
Look at the last line of your output gro file. It will have the box
On Wed, Mar 11, 2009 at 10:36 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:
> 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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Ilya Chorny Ph.D.
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