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AMBER Archive (2009)Subject: [AMBER] Non-planarity of amide atoms after optimization
From: Sanghwa Han (hansh_at_kangwon.ac.kr)
Dear Amber users,
In Biochemistry textbooks, an amide bond (NH-CO) in a peptide is planar.
But when I optimize a capped amino acid (e.g. ACE-Amino Acid-NME) the
Do I need to constrain the HN-CO to 180 degrees to obtain an optimized
Thanks.
Sanghwa Han
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