Dear Sir/Madam,
I am trying to use AMBER to calculate a Protein-ligand structure. As I got
crystal structure for the ligand, I want to keep it, how can I fix the
conformation of a ligand in amber? While allows the relative position of
the ligand to the protein flexible and able to optimize during optimization?
Best regards,
Annie
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Received on Sun Jul 09 2006 - 06:07:10 PDT
