QM/MM question

Petko Petkov oh... at chem.uni-sofia.bg
Fri Apr 11 13:45:40 CEST 2014

Dear CP2K community,
I have more general question to you. Can we apply CP2K qm/mm module to  a 
periodic  system where we need to define several QM regions separated by MM 
regions in one unit  cell?

Thank you in advance!


Assist. Prof. Dr. Petko St. Petkov  

Faculty of Chemistry and Pharmacy 

University of Sofia  

1126 Sofia, Bulgaria  

tel: +359 2 8161 433

website: http://computationalcatalysis.eu 

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