Dear CP2K users,
I’ve recently developed a CP2K tutorial to find and optimize TS geometries for enzymatic mechanisms (using QM/MM). You can find it in the following public repository:
This tutorial was made possible due to the valuable contributions found in the CP2K discussion group, however, since I’m no CP2K expert, I’d appreciate if you could give me some feedback on how to improve it.
My best regards,
Alexandre Pinto