[CP2K:285] MM_KIND/QM_KIND atom type

Teodoro Laino teodor... at gmail.com
Fri Sep 21 14:57:14 UTC 2007

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.


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
> >

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