[gmx-users] Regarding gmx gangle selection

[Venkat Reddy]

Hi,
Apologies for the minor mistake in typing. Actually the argument in group1
should be 'Resname RES and name B A'. Sorry for the confusion.


On Wed, Jul 9, 2014 at 12:19 PM, Venkat Reddy <venkat4bt at gmail.com> wrote:

> Dear all,
> I am trying to analyse my lipid vesicle system using gromacs-5.0. I am
> using gmx gangle to find the angle between lipid tails. In the gmx gangle
> help section, its mentioned that "For vectors, the selected positions set
> the endpoints of the vector". But nothing is mentioned about direction of
> vector. For example, if I select  'Resname RES and name A B' to denote my
> vector; The direction of the vector is from A to B. Please correct me if I
> am wrong.
>
> If I want to calculate the angle ABC in a residue RES, -group1 'Resname
> RES and name A B' -group2 'Resname RES and name B C', is this a valid
> selection?
>
> --
> With Best Wishes
> Venkat Reddy Chirasani
> PhD student
> Laboratory of Computational Biophysics
> Department of Biotechnology
> IIT Madras
> Chennai
> INDIA-600036
>



-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036