AMBER Archive (2005)

Subject: Re: AMBER: Re: inconsistent ordering in an improper dihedral of TRP

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Mar 11 2005 - 09:46:40 CST


It looks like leap's actual algorithm might be:

 - order first by atomic number (weight)
 - order second by atom name

Bill
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