From: Aurum Bai (javacfish_at_yahoo.com.cn)
Date: Thu Jun 10 2010 - 04:51:29 CDT
I find the ONIOM method: http://www.gaussian.com/g_whitepap/oniom_technote.htm . It could compute the QM/MM layer by layer, just like: DFT = Amber + DFT - Amber.
Could namd combining to ONIOM of gaussian calculate the QM/MM respectively?
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