AMBER Archive (2006)

Subject: AMBER: FIX conformation of a ligand

From: a a (patd_2_at_hotmail.com)
Date: Wed Jul 05 2006 - 21:17:23 CDT

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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