Greetings,
I wish to do some ONIOM calculations using Q-Chem for large molecules/clusters. I was wondering if there are some tools available out there to do so, instead of doing it manually by hand.
If not, I would appreciate it if you would elaborate on the details in the $molecule section (when doing ONIOM) as to how the atoms are connected and which ones belong to the “high” level and “low” level of theory.
Thank you,
Amir