AMBER Archive (2004)

Subject: AMBER: NMR refinement

From: John (john.dalmaris_at_imperial.ac.uk)
Date: Tue Mar 30 2004 - 08:32:55 CST

Hello All,

I am trying to do an NMR refinement on a peptide. I would like to ask what
are the acceptable violation parameters (violation energy, NOE violation,
dihedral angle violation) that could lead to the assumption that the
experimental sets and the force field define conformations belonging in
similar areas in conformational space.

Many thanks for the help.

John

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