QM/MM with core-shell

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Vaishali Thakkur

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Dec 5, 2022, 10:36:49 AM12/5/22

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Hi all,
I am just starting out with CP2K. I see that CP2K is able to run QMMM MD with the core-shell model. So does it account for only MM polarization or does it in a way account for polarizable embedding?

Thanks,
Vaishali

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