[AMBER] SCC-DFT orbitals

From: arikcohen <arikcohen.ucla.edu>
Date: Sun, 31 Oct 2010 22:24:38 -0700

Dear Amber users,

Is there a possibility to get as an output, the SCC-DFTB orbitals
(coefficients) from amber while doing QM/MM ?.

I will be most thankful for any help given.

Thanks a lot

Arik

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Received on Sun Oct 31 2010 - 22:30:03 PDT