AMBER: could amber calculte the binding free energy ofonly two small ligands (no big molecules) ?

From: linfu <>
Date: Mon, 6 Feb 2006 00:49:32 +0800

Dear Amber user!
I am an amber beginner and I have some very basic questions:
(1): Could AMBER7.0 calculate the binding free energy of TWO SMALL LIGANDS (no protein and no other big molecule .) using MMPBSA ?
(2): the question(1)'s answer is YES, and could you give me some suggestion or some notices when i am using MMPBSA, especially about how to set up parameters, OK ? Thank you very much :)

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Received on Mon Feb 06 2006 - 06:10:06 PST
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