QM/MM input file and H-capping

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Purva Dua

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Oct 19, 2021, 1:54:34 AMOct 19
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Dear all, 

I am new to cp2k and QM/MM. Can anyone help me regrading any tutorial or video from which I can learn how to run QM/MM calculations and CP2K and how to separate QM and MM part? It will be very helpful to me if I will get some solved examples for practice.  I have seen some videos but it is still not clear to me. 

Thanks in advance.

Regards
Purva
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