[CP2K-user] van der Waals interactions in QM/MM
Dawid das
add... at googlemail.com
Fri Jul 12 19:58:38 UTC 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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