[gmx-users] Z-position calculation
sawit02 at student.sdu.dk
Tue Oct 6 13:04:09 CEST 2009
To get the z coordinate of the center of mass of a molecule I use the following command:
echo "number of molecule" | g_traj -f xxx.xtc -s xxx.tpr -n xxx.ndx -nox -noy -com -ox xxx.xvg
I guess you can create an .ndx file for a lipid head group to get the z coordinate of this.
From: gmx-users-bounces at gromacs.org on behalf of TJ Piggot
Sent: Tue 06-10-2009 11:55
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Z-position calculation
You could also try g_bundle -z, it might do what you want.
--On Tuesday, October 06, 2009 11:04:29 +0200 XAvier Periole
<x.periole at rug.nl> wrote:
> g_traj with an index and playing with the different options.
> On Oct 6, 2009, at 11:01 AM, Moutusi Manna wrote:
> Dear all,
> I want to calculate the vertical position (Z-axis) of
> different lipid head groups as a function of time.
> Looking forward for any suggestion.
> Thanks in advance,
> Moutusi Manna
> Now, send attachments up to 25MB with Yahoo! India Mail. Learn
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t.piggot at bristol.ac.uk
University of Bristol, UK.
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