RE: AMBER: does the result of H bond is consistent with the ?Eele of MM_PBSA?

From: Yong Duan <>
Date: Thu, 22 Dec 2005 22:43:53 -0800

> Is there any another factors influence the results? Thank you !
Yes. Water! They can form (very) good h-bonds with the solute. So, just
counting # of h-bonds does not necessarily give you accurate estimate of
binding free energies.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jan 04 2006 - 18:16:49 PST
Custom Search