Re: [AMBER] MCPB.py and ambmask for IRON

From: Prasanth G, Research Scholar <prasanthghanta.sssihl.edu.in>
Date: Wed, 6 Feb 2019 10:06:38 +0530

Hello Pengfei,

Thank you for your response. Now i understand, the significance of the
numerical next to the "FE"

Regards,
Prasanth.

In response to Pengfei's response:

---
Hi Prasanth,
Here 1 does not mean the charge of the metal, it just means the sequence of
the residue inside the metal site.
I think your mcpbpy_parmed.in file is fine. You can try to see whether it
works.
Hope it helps,
Pengfei
-- 
Regards,
Prasanth.
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Received on Tue Feb 05 2019 - 21:00:03 PST