[gmx-users] How to calculate the dihedral angle variations ???

[Tsjerk Wassenaar]

Hi Venkat,

What exactly do you mean with variations. Do you want to follow the
angle over time, or do you want distributions with mean and variance
estimates? g_angle and g_chi seem to be the appropriate tools. You
mention you tried all suitable options, but fail to explain what you
tried and what exactly it is you want. We need that sort of
information to be able to help you out.

Cheers,

Tsjerk

2009/4/1 Venkat Reddy <venkat4bt at gmail.com>:
> First of all Thanks for ur reply !
> I tried both g_angle and g_chi with all suitable options, but i didn't get
> the required result.Can u plz help me in this regard ???
>
> 2009/4/1 Antonia V. <antonia_haha at hotmail.com>
>>
>> Did you try g_angle??
>>
>> Antonia
>> ________________________________
>> Date: Wed, 1 Apr 2009 11:35:29 +0530
>> From: venkat4bt at gmail.com
>> To: gmx-users at gromacs.org
>> Subject: [gmx-users] How to calculate the dihedral angle variations ???
>>
>> Hi Everyone !
>> How can i see the variations in the  "Cβ-S-S-Cβ" (Disulfide bridge)
>> dihedral angle during a simulation ?????
>>      Thanks in advance
>>
>>
>>
>> Cheers from
>> Venkat Reddy Chirasani
>> M.Tech Bioinformatics
>> UNIVERSITY OF HYDERABAD
>>
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>
>
> --
> Venkat Reddy Chirasani
> M.Tech Bioinformatics
> UNIVERSITY OF HYDERABAD
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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