AMBER: RESP charges for charged species

From: Michel Becker <>
Date: Tue, 16 Jan 2007 22:44:26 +0100

Dear amber users,

I would like to derive RESP charges for an charged molecule but I am a bit suspicious whether I could obtain reasonable charges for charged species with this method at all

Precisly I would like to derive charges for an quaternary amine. It would be very nice if someone of you could help me.

With best regards



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Received on Wed Jan 17 2007 - 06:08:32 PST
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