AMBER: potential energy in the MD result

From: Fenghui Fan <fenghui_fan.yahoo.com>
Date: Thu, 14 Sep 2006 07:39:12 -0700 (PDT)

In Amber TUTORIAL 2, it says our binding energy is
then simply Ecomplex - Eprotein - Epeptide = -5.5831
KCal/mol.

Is this -5.5831 the deltaG which can be used to
calculate the K according to the function
deltaG=-RTlnK?

I am looking forward to getting your reply.

Best regards.

Fenghui Fan

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Received on Sun Sep 17 2006 - 06:07:13 PDT
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