[gmx-users] number of index elements not multiple of 3, these can not be angle triplet
kgp.amit at gmail.com
Fri Jan 7 11:30:15 CET 2011
try the -type option with dihedral
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?
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