[gmx-users] Dihedrals calculations ...

[Xavier Periole]

Hi all,

the use of :

g_angle -type dihedral -f traj.xtc -ov

The plot of the output file angaver.xvg gives me the
angle the value a the whatever angle I am interested in,
in function of time, right !
The problem I have is that the value reaches the value
of 1000. No mistake in taping the value.
How come ??? Any suggestion !!!
By the way if I use the option -dt 50, the problem disappears.

Thanks
Xavier