[AMBER] charge groups of a ligand

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Fri, 2 Dec 2011 16:44:29 +0200

I have my ligand coordinates in a .pdb file. What would be the easiest way
to find out the charge groups (a.k.a. atom groups) of a ligand defined by
GAFF?

thanks,
Thomas
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Received on Fri Dec 02 2011 - 07:00:04 PST