Hi all,
I'm just wondering if anyone has experience with generating correct
AM1-CM2 charges with antechamber. When the "-c cm2" option was used, mopac
gives a warning as follows: "if the mopac program cannot generate the CM2
charges, Mulliken charges are generated." Examination of the input file
suggest that these are indeed Mulliken charges. I also tried to include
the CM2 keyword explicitly in the mopac.in file, but these key word appear
to have been silently ignored. I guess the other option is to use divcon
instead of mopac, but somehow divcon is giving me "segmentation faults"...
Any inputs will be appreciated.
Thanks,
Sishi.
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Received on Sun Apr 05 2009 - 01:11:59 PDT
