Hi,
We have an indirect interface for dftb+ by interfacing another program to
run Grimme's DFTB3-D3 for QM/MM.
It is not user friendly enough to share it publicly, but we are open to
share it person-to-person.
Regards,
Holger
On Tue, Feb 27, 2018 at 11:26 AM, Raimon Fabregat <raimon.fabregat.epfl.ch>
wrote:
> Dear all,
>
> Does anybody know if it is possible (or if it has been done already) to
> interface DFTB+ with AMBER?
>
> Best regards,
>
> Raimon
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dr. Holger Kruse
Structure and Dynamics of Nucleic Acids
Institute of Biophysics, ASCR
http://www.researcherid.com/rid/D-3615-2009
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 27 2018 - 06:30:02 PST
