QM/MM with isolated QM box

shihao shi... at gmail.com
Tue Feb 23 06:30:42 CET 2010


Hi Teo and Matt,

Thanks for pointing out the problem.  I'll read more carefully into
those references.

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.

Regards,
Shihao



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