I am trying to use adqmmm in AMBER 16 to analyze the solvated structure of
mono phenanthroline copper complex in water.
As DFT is too time consuming, I used PM6 for qm calculation.
However I got the error message below.
=================================
PARAMETER RANGE CHECKING:
Parameter QMMM. (Spin multiplicity) has value 2
This is outside the legal range
Lower Limit: 1 Upper Limit 1
The limits may be adjustable; search in the .h files
==================================
The above message suggests the limits may be adjustable.
How can I adjust and search in the .h files?
I would appreciate if anyone could help me.
Makoto Chikira
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Received on Fri Jan 20 2017 - 05:30:04 PST
