AMBER Archive (2005)

Subject: AMBER: minimize a ptraj average pdb structure

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Tue Feb 08 2005 - 19:48:26 CST

Hi, I have obtained an average structure for a protein
in water. Now the question is how to minimize the
average structure. I suppose that I should limit the
number of steepest descent (NCYC) while keeping the
average water molecule. Can people give some
suggestions based on their experience? Thanks.

Eric

                
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