[AMBER] covalently bonded ligand

From: hosein geraili <geraili_hosein.yahoo.com>
Date: Wed, 5 Sep 2018 12:40:54 +0000 (UTC)

Hi all,Does MCPB.py works for a covalent;y bonded ligand to the amino acids? I have 2S-2Fe ligand which is covalently bonded to the sulfurs of 4 cysteines around it, and I need to parameterize it.Best
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Received on Wed Sep 05 2018 - 06:00:05 PDT