On Sun, Sep 17, 2017, Rana Rehan Khalid wrote:
>
> System does not have metal ion what i can do now. Here i am attaching the
> system.
If you don't have any metal ions, then you don't want to be using MCPB.py.
There is generally no reason to be running H++ on a ligand.
Your antechamber input looked ok at a first glance...I couldn't tell if you
got any errors or not.
....dac
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Received on Sun Sep 17 2017 - 09:30:03 PDT
