[CP2K:2173] Re: PDC

[Teodoro Laino]

Well... if you would be so kind to provide also the coordinates for this 
system which gives *senseless* charges than maybe we could
have a look into it.

Teo

agilemolecule wrote:
> Hi Flo,
>
> Thank you. These parameters indeed provide a reasonable charge and
> dipole moments for molecules of 3-10 atoms. But when become 50 atoms,
> it fails. There is senseless charges.
>
> Best wishes,
> Alexey
> >
>