Subject: Rating in AutoDock3.

From: Emanuel Björne <[email-masked]>
Date: Wed, 11 Dec 2002 16:21:47 +0100

Dear all,

How come that AutoDock 3.0 rates its simulation results according to Energy instead of Free Energy of Binding? As far as I have understood the entropic contributions from the assumed restriction of torsion angles are not included in the Final Docked Energy but they are in the Free Energy of binding.Or is it possible to chose what results to use in the rating?

Regards,

Emanuel Björne