How to calculate Binding Free energy in NAMD

From: jnsong (jnsong_at_itcs.ecnu.edu.cn)
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
system.

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

-- 
Jianing Song
Ph. D. Student 
Institute of Theoretical and Computational Sciences
Dept. Phys.
East China Normal University
200062
3663 North Zhongshan Road
Shanghai, P. R. China

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