AMBER: Charge derivation: RESP vs. antechamber

From: Catein Catherine <>
Date: Tue, 29 Apr 2008 18:21:54 +0800

Dear Sir/Madam,
I am new to Antechamber, I could like to ask if we would like to do a calculation for an organic compounds, after doing antechamber, i notices the atomic charges were assigned as I can see from the xleap editor. Do I still need to do the RESP calculation to recalculate the atomic charges? Which atomic charges should I use?
Please kindly help.
Best regards,
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Received on Wed Apr 30 2008 - 06:07:42 PDT
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