AMBER: minimize a ptraj average pdb structure

From: Eric Hu <>
Date: Tue, 8 Feb 2005 17:48:26 -0800 (PST)

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.


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Received on Wed Feb 09 2005 - 01:53:01 PST
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