[CP2K:285] MM_KIND/QM_KIND atom type

[Teodoro Laino]

The rule is that in cp2k we loose any information about atom_name..  
we only work with the atom_type.
This is valid then for MM_KIND, QM_KIND and KIND in subsys.

Teo

On 21 Sep 2007, at 16:30, Luca Bellucci wrote:

>
> Hi all,
> when I use PSF and PDB file for connectivity and coordinates I can
> use atom_type or atom_name  for define MM_KIND and QM_KIND.
> The same thing happens in section SUBSYS with KIND key.
> Is there a rule?
> Thanks
>
> >