Dear all,
I want to carry out protein ligand QM/MM simulation. My ligand is Ruthenium
metal complex. In order to treat ruthenium i was using DFTB qmm method as
their are no dftb parameters available at dftb.org i am unable to run QM/MM
simulations. I would be very thankful if someone can provide me dftb
parameters for ruthenium .
OR
Is their any way that we can coupled Gaussian with AMBER 11 so that MM can
be treated by amber and QM part by gaussian
Thanks
vinod
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Received on Fri Feb 03 2012 - 04:00:02 PST
