Or add option -all if you have several...
servaas
Message: 2
Date: Thu, 03 Jul 2008 10:36:56 +0200
From: "Xavier Periole" <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] Dynamics : ONE dihedral angle time resolution
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain;charset=utf-8;format="flowed"
On Thu, 3 Jul 2008 01:01:53 -0700
"Chih-Ying Lin" <[EMAIL PROTECTED]> wrote:
Hi
I want to get the dynamics of ONE dihedral angle time resolution.
g_angle computes the angle distribution for a number of angles or
dihedrals.
With option -ov I can plot the average angle of a group of angles as
a function of time.
I don't want the average angle of a group of dihedral angle as a
function of time.
But, I need ONE dihedral angle as a function of time to know the
dynamics of this dihedral angle.
if you put only one angle in your index, then the average is the value
of the angle in function of time.
Thanks a lot
Lin
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-----------------------------------------------------
XAvier Periole - PhD
Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
-----------------------------------------------------
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