[CP2K-user] Single point calculations and TS optimization using Dimer Method for QM/MM

[Женя Елизарова]

Dear CP2K community, 

I would like to know is it possible to make single point energy 
calculations for the QM subsystem in the QM/MM system? Also, I wonder is it 
possible to perform TS search for the QM part in QM/MM system using the 
Dimer Method? 

If it is possible, could you help me to make such calculations, please? 

Best wishes,
Evgenia Elizarova
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