[gmx-users] g_angle periodic

[Tsjerk Wassenaar]

Hi Ayse,

Something like

awk '/^[#@;]/;/^[^#@;]/{print $1, $2%360}' dihedral.xvg

Cheers,

Tsjerk

On Tue, Nov 25, 2014 at 12:12 PM, ayşe K <akafali84 at hotmail.com> wrote:

> Dear Users,
> I compute dihedral angles using g_angle. I want to print dihedral angles
> 360 degrees with the option periodic. For this purpose I used comment below;
> g_angle -f traj.xtc -n angle.ndx -type dihedral -od dihedral.xvg -periodic
> but  dihedrals vary in the range of -180 to 180.
> How can I calculate dihedral angles from 0 to 360 degrees?
> Thanks in advance,
> Ayse.
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-- 
Tsjerk A. Wassenaar, Ph.D.