[gmx-users] dihedral restraints wiki section

[Behnoush Zare]

Dear xavier,
Thank you for your reply bur I want to run md simulation with regarding dihedral restraints on helices. According to the chris suggestion I should add the dihedral values of the helices backbone to the .top file. My question is about calculating of dihedral angles values. Any help would be appreciated.
Behnoush
----- Original Message -----
From: "Xavier Periole" <X.Periole at rug.nl>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Tuesday, January 29, 2008 1:17:45 PM (GMT+0330) Asia/Tehran
Subject: Re: [gmx-users] dihedral restraints wiki section



> Thank you for your help about performing dihedral restraints. Would you 
>please kindly explain to me how I can measure the value of dihedral angles 
>between two amin acids (I mean C'-N-C-C' and N-C-C'-N).
> Thank you in advance for your valuable aid.

Well this should really be easy to find out! check out the manual,
there is section ANALYSIS ... g_angle is one option.

> 
> Behnoush
> 
> ----- Original Message -----
>From: "chris neale" <chris.neale at utoronto.ca>
> To: gmx-users at gromacs.org
> Sent: Sunday, January 27, 2008 11:49:42 PM (GMT+0330) Asia/Tehran
> Subject: [gmx-users] dihedral restraints wiki section
> 
> I have added a section on dihedral restraints to the wiki.
> 
> http://wiki.gromacs.org/index.php/Dihedral_Restraints
> 
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-----------------------------------------------------
XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------
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