[AMBER] calculating absolute binding free energy using MMPBSA

From: menwer momo <masalmeh2007.yahoo.com>
Date: Wed, 4 Jun 2014 02:17:49 -0700 (PDT)

Dear amber users,
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 binding free energy ( in order to compare it with the experimental value) should I subtract T∆ S (calculated using normal mode analysis) from PBTOT ?

Thank you,
AMBER mailing list
Received on Wed Jun 04 2014 - 02:30:03 PDT
Custom Search