AMBER Archive (2003)

Subject: AMBER: minimize a covalently bounded protein-ligand complex

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Thu Oct 30 2003 - 17:36:53 CST

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.
 
Eric

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