[AMBER] How to use MCPB.py to deal with the oxygen atom Fe=O of CpdⅠ

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From: 张恒炜 via AMBER <amber.ambermd.org>
Date: Wed, 16 Nov 2022 16:02:49 +0800

Hello Developers,
I am new in using MCPB.py. When I try to use it to build the topol for
P450(CpdⅠ), I have some trouble, I don't know how to deal with the oxygen
atom Fe=O of CpdⅠ in MCPB.py. I've tried treating it as a separate residue,
but it reminds me that the number of atoms is too low. I want to know how
can I handle it, thanks
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Received on Wed Nov 16 2022 - 00:30:02 PST