Adding point charges to QM single point calculation
Michael Carter
mkcart... at gmail.com
Fri Oct 28 08:59:06 UTC 2011
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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