Hi All,
I was wondering about the procedure to set up Amber to perform energy
minimization of the ligand in the protein binding site environment.
I'd like to first treat protein rigid and only optimize the ligand. If
possible, I'd like to also try optimize both ligand and selected
binding site residues.
Any suggestions are greatly appreciated.
Dong Xu
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Received on Wed May 14 2008 - 06:07:27 PDT
