How to calculate Binding Free energy in NAMD

From: jnsong (
Date: Sat Jun 18 2011 - 01:00:49 CDT

Dear all,

Recently, I've done a simulation of protein-ligand complex using NAMD
and CHARMM force field. and I want to get binding free energy of my

As much as I know, In AMBER, MM-PBSA can help to get binding free
energy, but I have no idea about how to do this in NAMD.
Could you please tell me where can I get such information?


Jianing Song
Ph. D. Student 
Institute of Theoretical and Computational Sciences
Dept. Phys.
East China Normal University
3663 North Zhongshan Road
Shanghai, P. R. China

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:20 CST