[gmx-users] Re: Dynamics : ONE dihedral angle time resolution

[servaas michielssens]

Or add option -all if you have several...


servaas


> Message: 2
> Date: Thu, 03 Jul 2008 10:36:56 +0200
> From: "Xavier Periole" <X.Periole at rug.nl>
> Subject: Re: [gmx-users] Dynamics : ONE dihedral angle time resolution
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <web-80946105 at mail3.rug.nl>
> Content-Type: text/plain;charset=utf-8;format="flowed"
>
> On Thu, 3 Jul 2008 01:01:53 -0700
>  "Chih-Ying Lin" <chihying2008 at gmail.com> 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
> -----------------------------------------------------
>
>
> ------------------------------