Hi,
They can be quite comparable, but you should do the needed tests. Is it a bimetallic center with the Ca in a ~six-ccordinate environment? That will likely work best with a mixed model. Good luck. Kennie
On Oct 13, 2014, at 10:22 AM, <mmaestre.gate.sinica.edu.tw> <mmaestre.gate.sinica.edu.tw> wrote:
> Hi Kennie!
>
> Thanks for the advice.
> How comparable are the results between a bonded and a non-bonded model?
>
> Manuel
>
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Received on Mon Oct 13 2014 - 08:00:07 PDT
