[gmx-users] specific dihedral plotting

tarak karmakar tarak20489 at gmail.com
Thu Sep 20 11:31:12 CEST 2012


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.


Thanks ,
Tarak



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