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
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