AMBER Archive (2006)

Subject: AMBER: potential energy in the MD result

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Thu Sep 14 2006 - 09:39:12 CDT

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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