Hello everyone!
I want to perform molecular dynamics of (ZnO)12 cluster with a protein.
I have drawn the ZnO cluster and performed gaussian optimization to get the
correct geometry and charges. I have also performed docking of ZnO cluster
with my protein. I have also done the protein preparation as described in
the AMBER tutorials.
I do not know how to move ahead from here. How do i prepare the ZnO-
protein prmtop and inpcrd files.
Is there some protocol which i can follow or paper which might have done
something similar with AMBER.
Please advice.
Regards
Vivek
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Received on Tue Dec 13 2016 - 02:00:02 PST
