[AMBER] Zinc Oxide and protein simulation with AMBER

From: vivek m <vivek.010484.gmail.com>
Date: Tue, 13 Dec 2016 15:05:19 +0530

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.


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Received on Tue Dec 13 2016 - 02:00:02 PST
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