Reference paper about the implementation of the QMMM

jts2t... at jts2t... at
Mon Jun 19 10:54:05 UTC 2017

Thanks for the remind!

在 2017年6月19日星期一 UTC+8上午12:21:37,Nico Holmberg写道:
> Hi,
> The CP2K online documentation 
> <> lists the 
> two papers that describe the QMMM implementation in CP2K. I don't have a 
> QMMM output available at present but I'd assume the papers by Laino are the 
> references you mentioned. You'll find additional references for e.g. force 
> mixing if you navigate to the corresponding manual section. As far I know, 
> the listed references in the manual are the only papers that describe the 
> QMMM implementation in CP2K (feel free to correct me if I'm wrong). You can 
> find examples of CP2K QMMM simulations from papers that cite the main 
> references. Some of them might include partial input files as well as 
> supplementary information.
> BR,
> Nico
> lauantai 17. kesäkuuta 2017 18.25.30 UTC+3 jts2... at kirjoitti:
>> Hello everyone and Matt,
>> Yesterday I saw a topic about the details about QMMM in CP2K. The quizzer 
>> was told that the information of reference paper located at the end of the 
>> *.out file. I want to know is there is any more datum about the 
>> implementation of QMMM in CP2K that I can consult? Or some reference paper 
>> not mentioned at the end of the *.out file?
>> Thanks for any kind of reply!
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