PDCharges


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Forum Vet
10:34:23 AM PST - Mon, Feb 13th 2012
This should work. Please post the full input deck.

Bert


Quote:P99 Feb 13th 3:26 pm
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