AMBER: GB vs. Invacuo Energies

From: Seth Lilavivat <>
Date: Wed, 6 Jun 2007 10:38:32 -0400

Dear Amber Community,

I've run restrained MD refinements using both invacuo and GB solvation
models. I would like to compare energies but they seem to be scaled
much differently. The invacuo structures on the scale of -700
kcal/mol whereas the GB ones are on the scale of -3900 kcal/mol. How
can I compare the energies of these two structures?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jun 10 2007 - 06:07:12 PDT
Custom Search