[AMBER] Calculating absolute binding free energy

From: menwer momo <masalmeh2007.yahoo.com>
Date: Wed, 4 Jun 2014 00:04:41 -0700 (PDT)

Dear Sir,
I used mm-pbsa to calculate the binding free energy of a protein-DNA complex,

Is the PBTOT given as the out put of this is the relative binding free energy?
If I want to calculate the absolute free energy ( in order to compare it with the experimental value) should I subtract
T∆ S (calculated using normal mode analysis) from PBTOT ?
AMBER mailing list
Received on Wed Jun 04 2014 - 00:30:03 PDT
Custom Search