[gmx-users] Regarding gmx gangle selection

Venkat Reddy venkat4bt at gmail.com
Wed Jul 9 08:49:03 CEST 2014

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

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

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