QM/MM with isolated QM box

shihao shi... at gmail.com
Tue Feb 23 20:22:08 UTC 2010

> The reason I didn't use the periodic and decoupling recoupling scheme
> is that the QM region should be isolated and should interact with its
> images.

Oh, typo here.  The QM region shouldn't interact with its images
(because those interactions will be unreal).


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