Dear All,
I calculate MEP in g98 using information printed by AMBER developpers at
http://sigyn.compchem.ucsf.edu/amber/Questions/resp.txt
It is written:
"Add iop(6,33=2) to your gaussian command line viz.
# hf/sto-3g pop=mk iop(6/33=2)
This is does NOT appear in the g94 manual, so trust me :-)"
I would be interested to know what it the meaning of the internal command "iop
(6/33=2)". I think it is not explained in the g98 manual.
Thanks, Kind regards, Francois
Received on Fri Nov 08 2002 - 22:35:22 PST
