Why in some QM/MM models bonded interactions (bonds,angles,torsions) between QM and MM atoms (at QM/MM boundary) involving one MM atom are neglected?

Hello, I wonder, why in the QM/MM model it is advisable to neglect bonded interactions at the QM-MM boundary that involve just one(!) MM atom (i.e. all bonds of the type QM1-MM1, bends of the...

02 September 2020 726 0 View