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

Dawid das add... at googlemail.com
Fri Jul 12 19:58:38 CET 2019


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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