Bugs item #2658041, was opened at 2009-03-03 18:08
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Jan Jensen (jhjensen2)
Assigned to: Nobody/Anonymous (nobody)
Summary: Atomic charges for charged groups/atoms
Initial Comment:
If I build 2 non-bonded Cl atoms at some distance and evaluate the energy it clearly corresponds to two -1 charges, but the atomic charges from the label option say 0
similarly for NH4 (charges sum to 0) with Cl
You can respond by visiting:
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