Dear Users,
We are trying to do a qmmm calculation for a metalloprotein. The
metalloprotein has some anti ferromagnetic coupling. And we wanted to use a
guess for the wave function obtained from previous cDFT calculations and do
the calculations there after. I'm not able to find a way to do that.
Please let me know if it's possible and how to do that. Any insight is
helpful.
Thank you
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Received on Tue Oct 14 2025 - 00:00:02 PDT
