[gmx-users] Dihedral angles

[David van der Spoel]

Mykola Rozhok wrote:
> Hello!
> 
> I have a .pdb structure:
> 
> H2N-CH2-COOH
> 
>       H
>        |
> H-N-C-C-O-H
>     |  |   "
>    H H O
> 
> and want to calculate 2 dihedral angles:
> 
> H-N-C-C
> 
> and
> 
> N-C-C-O
> 
> I have a .trr file and a .tpr file. Can I calculate those two dihedrals 
> as a function of time using GROMACS?
> 
g_angle -h

> Thank you very much in advance!
> 
> Yours Sincerely,
> Nikaustr
> 
> 
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> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se