[gmx-users] g_angle for calculating dihedrals
kgp.amit at gmail.com
Sat Nov 28 09:47:04 CET 2009
I was looking at calculation od dihedrals using g_angle. I did not
understand what the output of this tool is, along the x-axis we have angle
(in degrees) but what do we have along the y axis . Does y-axis show the
fraction of dihedrals having that specific angle? It does seem so by adding
all the fractions but i need to make sure.
Just to be sure that you know what i am talking about i first used make_ndx
to make a group of 4 atoms (whose dihedral has to be calculated) . Then i
g_angle -f confout.gro -n index.ndx -type dihedral
where index.ndx has the indices for all the relevant atoms stored in a
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