On Fri, Dec 12, 2008, balaji nagarajan wrote:
>
> Please check the total charge and your -nc flag
If the charge of your system is not zero (the default), you have to set it
with the -nc flag, e.g. "-nc 3" for a +3 ion.
> For atom[1]:Co, the best APS is not zero, exit
As I wrote earlier, antechamber is not going to be able to handle molecules
with metal atoms.
...dac
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Received on Sun Dec 14 2008 - 01:08:50 PST
