Hi everyone,

I am just getting familiar with the ADF QMMM features and I've run into a
problem for which there seem to be no examples. In a particular molecule,
I have an amine in the MM part and it seems to be causing a lot of
problems. I am assuming that "LP" in the sybyl force field stands for lone
pairs and that for things to work, I need to somehow include the LP in my
MM connection table. However, I think there needs to be a direct
correspondence between the MM table and the Atoms key input. What would I
need to do in the Atoms key to address this issue? (a dummy atom?)

Any assistance in clearing this up would be greatly appreciated...
Thanks,
Pierre

-- 
Pierre Kennepohl      kennepohl_at_caltech.edu
Division of Chemistry and Chemical Engineering
California Institute of Technology