Dear Outi Salo-Ahen,
You define the 1st head & tail for the 1st residue you want to define;
you create the 2 bonds between the residue with these 1st head/tail
and your protein; then once bounded, you define the 2nd head/tail for
the second residue and you create the bonds; etc... for each residue
to be connected...
regards, Francois
> I am trying to define parameters for a complex of three non-connected
> residues that are coordinating a metal atom.
> I have calculated the charges and used RESP fitting procedure for the
> whole complex. How do I define the head and tail for each residue in
> the complex. The whole complex has one common residue name.
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Received on Thu Dec 20 2012 - 03:00:03 PST
