PDCharges
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Gets Around
8:26:44 AM PST - Mon, Feb 13th 2012
Quote:Bert
Feb 10th 6:05 pm
Geometry
bq 1.0 0.5 0.0 charge 0.2
O 1.1 0.5 0.0
H 2.1 0.5 0.5
H 2.1 0.5 -0.5
end
bq is not an atom but a point charge with the charge you can define.
Bert