Dear Amber users,
I used MCPB to develop parameters for a 4-coordinate Zinc complex. It
worked fine. However I found the obtained charge is not zero. The total
charge should be -1.0, however it indeed gave -1.00003. Is this 3e-5
difference significant? Can I just ignore it or add 3e-5 charge to one of
the atoms?
Thanks in advance!
Regards,
Jia
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Received on Wed Aug 14 2013 - 11:30:04 PDT
