[CP2K-user] ALMO + QM/MM

Mayank Dodia mayan... at gmail.com
Mon Aug 10 16:44:43 UTC 2020


Does anyone have any ideas about using ALMO with QM/MM setup? Is it 
feasible?

Best Regards,
Mayank Dodia

On Sunday, August 9, 2020 at 3:58:39 PM UTC+2, Mayank Dodia wrote:
>
> Hi,
>
> Is the ALMO method implemented to work with the QM/MM setup? Are there are 
> any special considerations we need to take into account for this 
> combination?
>
> Best Regards,
> Mayank Dodia
>
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