QM/MM LINK_TYPE

ilya ily... at gmail.com
Mon Sep 29 12:43:54 CEST 2008


Hello!

My question concerns CP2K_INPUT / FORCE_EVAL / QMMM / LINK /
LINK_TYPE.
As i understand IMOMM is Morokuma's Integrated Ab Initio + Molecular
Mechanics Method.
And what do GHO and PSEUDO mean?

Ilya.



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