[CP2K:906] QMMM periodic input clarification

[Teodoro Laino]

Hi Ben,

On 27 Mar 2008, at 18:36, Ben Levine wrote:

>
> Hello,
> I'm a little confused about how to input the parameters for the Ewald
> summation for a periodic QMMM calculation.  It seems that I can set up
> the Ewald summation in the FORCE_EVAL%MM%POISSON section, but there is
This controls the ewald summation of MM with MM

> also a keyword FORCE_EVAL%QMMM%PERIODIC%GMAX.  In the context of a
This one controls the ewald summation of QM with MM and QM with QM.
This one works only for DFT (SE is not implemented at the moment.)

Teo

> QMMM calculation what is the meaning of these two sections?  Thanks.
>
> Ben
> >