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

[Amit Choubey]

try the -type option with dihedral

amit

On Fri, Jan 7, 2011 at 2:16 AM, Carla Jamous <carlajamous at gmail.com> 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?
>
> Thanks
>
> Carla
>
>
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