AMBER: Tutorial of document about QM/MM in reaction pathways?

From: Qiang Zhong <>
Date: Tue, 21 Aug 2007 22:06:53 +0800

Dear Amber users:
          I am calculating free energy of reaction of protein. I need some
or document about this field.I have study tutorial "A Coupled Potential QM/MM
Simulation". but I don't think it suit to me. Could somebody tell me some
tutorial or document about this?
I also do SMD simulation,I have study manue page 159, but I need some example,
could somebody tell me? Thank you very much!

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Received on Wed Aug 22 2007 - 06:07:48 PDT
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