[gmx-users] How the angle/bond length changes during simulation.

Dawid das addiw7 at googlemail.com
Wed Mar 9 16:01:26 CET 2016

Dear Gromacs Experts,

How can I get a plot of a bond length/ valence angle/ dihedral angle during
from *xtc and *.ndx files? I am pretty sure that it is possible, but with
and g_bond I can get only the distribution.
By the way, when I use

g_angle -f npt-md2-cent.xtc -n index.ndx -type dihedral -all

and choose group like this from my index.ndx file:

[ angles ]
969 966 964 960
966 964 960 959

I don't get separate plots for each of two dihedral angles.
How can I get it?

Best regards,
Dawid Grabarek

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