Hello I am planning to do a qmmm calculation and I have a rather basic question about qmmm in cp2k I am correct in thinking that from eqn. 1 in Laino et al, JCTC, 2005, 1, 1176 and ref 30 in the article ( Sherwood, qmmm approaches ) that the additive scheme implied that I don't have to worry about partial charges for QM subsystem if I do a calculation that involves bond breaking? As E(QM-MM) involves interaction between MM point charges ( GEEP smeared in this case ) and the QM charge density and no MM calculation on the entire system (QM + MM) is ever calculated ( as this will require partial charges for QM which at that point may be at a conformation were the initial partial charges used in MM equilibration are no longer appropriate) ? Thanks Lekpa.