AMBER Archive (2007)

Subject: AMBER: QM/MM in reaction pathways?

From: Qiang Zhong (zqiang320_at_webmail.hzau.edu.cn)
Date: Fri Aug 24 2007 - 03:00:50 CDT

Dear Amber users:
          I am calculating free energy of reaction of protein. I need some
tutorial 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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