[AMBER] Request for MD protocol

From: George Tzotzos <gtzotzos.me.com>
Date: Tue, 20 Apr 2010 16:07:11 +0200

Hi everybody,

I'm trying to work out the binding energy of a ligand/receptor complex as well as the actual contacts (hbonds) that the ligand makes with residues at the binding site. The ligand is around 15-25 atoms and the protein has 125 residues.

Does anyone have a MD protocol for this type of work?

Your help would be greatly appreciated


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Received on Tue Apr 20 2010 - 07:30:04 PDT
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