Thanks, But I guess the g_angle -ov option will give me an average angle for
many different groups.
That will not be same as the angle between center of masses of different group .
For example If I have a molecule CH3-CH2-CH3, g_angle -ov can give me an
average over angle H-C-H and C-C-C . But what I want is the angle CH3-CH2-CH3
.
So, I was wondering whether you can clarify a bit on how I can get it.
Thanks
Jagannath
--- On Wed, 4/11/09, Mark Abraham <mark.abra...@anu.edu.au> wrote:
From: Mark Abraham <mark.abra...@anu.edu.au>
Subject: Re: [gmx-users] g_angle between center of mass of three groups
To: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Date: Wednesday, 4 November, 2009, 9:00 AM
jagannath mondal wrote:
> Hi,
>
> I know that g_dist gives the distance between the center of masses of two
>groups. But, I wanted to know whether it is possible to calculate angle
>between center of masses of three groups or not . I am not sure whether
>g_angle can calculate the angle between center of masses of three groups.
>If not, In that case, can anyone suggest suggest any other alternative ?
You should start by reading g_angle -h and g_sgangle -h. g_angle will calculate
the average over a group of angles, which is similar to what you want.
Mark
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