AMBER Archive (2007)

Subject: AMBER: Complexe Energy Analysis

From: saccenti_at_cerm.unifi.it
Date: Wed Sep 12 2007 - 10:16:07 CDT

Dear all,
I'm facing with a problem that is, mybe a bit too challenging for my skill:

I would like to evaluate the interaction energy (binding free energy) of a
complex of the form P1 + i + P2, where P1 and P2 are proteins and i is a
metal ion. I know there is th PBSA tools to do that in AMBER

Can somebody tell me from where operatively start, maybe pointing out a
tutorial or some clear reference?

I do not belive that a "M.D. for dummies" already exixts....

Many Thanks
Edoardo 

-- 
Dr Edoardo Saccenti
CERM Magnetic Resonance Center
University of Florence
Fiorgen Foundation
Via Luigi Sacconi n° 6
50019 Sesto Fiorentino
(FI) Italy
Tel: +39 055 4574281

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