[gmx-users] get dihedrals in 0 to 360 degrees instead of -180 to +180 degrees

GAYATHRI S gayathri.s at iitb.ac.in
Thu Sep 10 09:47:38 CEST 2015


Hello everyone,

I simulated an NADH molecule. I want to check how each of the dihedral
angles changes during the simulation. To achieve the same, I used the
following command:

$g_angle -f full.xtc -n dangle.ndx -ov -all -type dihedral

I got the desired output.
However, the output shows angles ranging from -180 degrees to +180 degrees.
Is it possible to get the same output in 0 to 360 degrees format? If yes,
what command should be used and in what syntax should it be used?

Please suggest how to proceed.

Thank you.

Regards,
Gayathri.



More information about the gromacs.org_gmx-users mailing list