[DFTB-Plus-User] QM/MM implementation with point charges in DFTB+

[Markus Kaukonen]

Hei,
If you buy AMBER (it was $400 some years back): DFTB is QM part in
their QM/MM implementation.
terveisin, Markus

On 1 November 2012 13:59, Bhatt, Mahesh <M.D.Bhatt at warwick.ac.uk> wrote:
> Hi,
>
> I would like to know how we can apply QM/MM method with some point charges
> in DFTB+ program.  I could not find any information regarding this in user's
> manual. Is it possible to implent this method directly in DFTB+ or we will
> have to use other programs like ADF or CHARMM? Are there any references
> available regarding this implementation?
>
> Sincerely
> Mahesh Bhatt
>
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