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!
 Petko

=============================

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 
[http://computationalcatalysis.eu/Joomla_1.6.1/index.php/assis-prof-dr-petko-st-petkov]

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