Converging cutoff with QMMM

Dawid das add... at
Fri Jun 1 16:55:26 UTC 2018

Dear Matt,

What if I use commensurate grids? Then according to the manual "*overrides 
the progression factor and the cutoffs of the sub grids*".
So can I still use the described procedure to evaluate CUTOFF and 

Excuse me if these questions are silly, but I'm completely new in this part 
molecular modelling. Obviously, I am reading papers such as JCTC 2005, 1, 
but still I do not get everything right away.


W dniu piątek, 1 czerwca 2018 17:35:30 UTC+2 użytkownik Dawid das napisał:
> Dear CP2K Users,
> Can I use this tutorial
> to choose cutoffs within &DFT &MGRID for QM/MM calculations with ECOUPL 
> Best wishes,
> Dawid Grabarek
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