[gmx-users] place carbon nanotube along the z direction
j.marzinek10 at imperial.ac.uk
Fri Aug 3 14:11:43 CEST 2012
You can use editconf -princ to orient it into the principal axis. Then with editconf -rotate specify proper vector of 90 degrees if required.
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Abed Askari [abedaskari at yahoo.com]
Sent: Friday, August 03, 2012 1:06 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] place carbon nanotube along the z direction
I would like to orient my carbon nanotube along the z direction.
would you please tell me how I can do that?Do I use any option other than -box
when I use editconf or something?my command was
editconf -f cnt.pdb -o cnt.gro -box 5 5 5
any help would be really appreciated.
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