On 20/09/2012 7:31 PM, tarak karmakar wrote:
Dear All,
I need to plot a specific dihedral in my protein and I have to
see how it is changing with time. So while doing that I have created a
new group for that specific dihedral by taking corresponding 4 atoms.
Now, how could I specify this dihedral present in the index file while
running g_dih program, as I see in the online manual options are as
follows
g_dih -f traj.xtc -s topol.tpr -o dih.out
And it essentially gives the statistics of all the dihedrals.
g_angle -type dihedral is probably more like what you want.
Mark
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