[AMBER] parameterizing the covalently bonded ligand

From: hosein geraili <geraili_hosein.yahoo.com>
Date: Mon, 3 Sep 2018 16:25:24 +0000 (UTC)

Hi all,
I want to use "tleap" for parameterizing a "2Fe-2S" ligand in my protein, "2Fe-2S ferredoxin", which is covalently bonded to cysteine sulfurs.Can you please introduce a tutorial or procedure that is best for my purpose because I saw the tutorials and most of them are for the metal ions parameterization, and with covalently bonded ligands some other issues occur that needs to be taken care of.Best
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Received on Mon Sep 03 2018 - 09:30:02 PDT
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