AMBER Archive (2006)

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

From: linfu (linfu3200_at_mail.sioc.ac.cn)
Date: Sun Feb 05 2006 - 10:49:32 CST

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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