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