[CP2K-user] van der Waals interactions in QM/MM

[Matt W]

Standard LJ interaction. I think you can decide whether to include QM/MM 
1-4 interactions, can't remember the keyword.

On Friday, July 12, 2019 at 8:58:38 PM UTC+1, Dawid das wrote:
>
> Dear All,
>
> How does CP2K treat vdW interactions between QM and MM subsystems in MD 
> simulation? Are they 
> included using standard LJ potential or not? What about 1-4 interactions 
> if they are involved for a cut bond?
>
> Best wishes,
> Dawid 
>
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