[gmx-users] number of index elements not multiple of 3, these can not be angle triplet

[Mark Abraham]

On 7/01/2011 9:16 PM, Carla Jamous wrote:
> Hi Everyone,
>
> Please I'm trying to calculate one dihedral angle as a function of 
> time during my simulation.
> For this, I used g_angle. In the manual (version 4.0.3) it says: the 
> indexfile should contain atom-triplets or atom-quadruplets for dihedrals.
>
> I put an atom-quadruplet in my index file, but when I run
> g_angle -f .xtc -n .ndx -od .xvg
>
> and I select the group of atom-quadruplets, gromacs crashes and shows 
> this error message:
> number of index elements not multiple of 3, these can not be angle 
> triplets
>
> So actually g_angle only calculates angles not dihedrals?

See -type in g_angle -h.

Mark