Can I use FEP in NAMD for reaction of ATP with Kinase?

From: Qiang Zhong (
Date: Fri Jul 20 2007 - 06:46:38 CDT

Dear NAMD users:
     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!

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