[CP2K:2582] Re: QM/MM with isolated QM box
teodor... at gmail.com
Tue Feb 23 05:36:09 UTC 2010
On 23 Feb 2010, at 06:30, shihao wrote:
> 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
if it is isolated it can not interact with its periodic images...
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