[CP2K:3566] Adding point charges to QM single point calculation

Teodoro Laino teodor... at gmail.com
Fri Oct 28 09:04:57 UTC 2011

Have a look at the QM/MM module, and examples therein.

On Oct 28, 2011, at 10:59 AM, Michael Carter wrote:

> Hi,
> I wondered if anyone knew how to add MM point charges into a single point QM calculation in CP2K. I have tried to do this using the CHARGE command, but this does not appear to work.
> Any help on this matter would be greatly appreciated
> All the best
> Michael Carter
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