PDCharges


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Gets Around
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