AMBER: charge definition

From: Khanh KIm Dao <>
Date: Sat, 06 Sep 2003 20:40:31 +0200

Dear Amber users and other modeling experts,

I use Amber7 and xleap to load a pdb file of a protein in complex with
cAMP. But I got problem because xleap does not recognize the cyclic AMP
molecule. From the Amber's users manual, I should create a prep file to
define atom type and charge for this molecule. I suppose I can combine
parameters from database for adenine and for phosphate group to define atom
type. But how can I get define charge for cAMP?

Thanks for any suggestion,

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Received on Sat Sep 06 2003 - 19:53:01 PDT
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