PSPW QM/MM: Different types of QM atoms of the same element


Click here for full thread
Just Got Here
Dear all:
   I want to do the QM/MM CPMD calculations. I need to define the lj parameter of QM and MM atom. But the some QM atoms of the same element are in different chemical environment, so I need to define them seperately. But I cannot find the such example. Can anyone help me?
Thank you!
Junbo