From: Qiang Zhong (
Date: Sun Jul 22 2007 - 03:23:02 CDT

Dear all:
           I am reading AlchemicalFEP-Oct2006.pdf.
I have complex of ATP and Kinase, I want to investigate the free energy of
reaction, Firstly, I want to use QM/MM framework, But I could not get suitable
 QM software,So I want to use FEP method in NAMD to do it, But I find example
 about FEP

is not about enzyme reaction, I want to know whether I can use this method for my

 investigation? Thank you very much!

 Eager to receive your letter!

** Visit for more info on majordomo