AMBER: minimize a covalently bounded protein-ligand complex

From: Eric Hu <>
Date: Thu, 30 Oct 2003 15:36:53 -0800 (PST)

Hi, I am trying to minize a complex that has a covalent bond between one lysine of the protein and the ligand ketone (in fact it is an enamine). How do I achieve minimization? I am thinking to build the ligand into an unnatural residue but need more suggestions. Thanks.

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Received on Thu Oct 30 2003 - 23:53:01 PST
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