Sorry if this is a FAQ, but ...
Is there a simple command or set of TOP keywords that will
preserve internal coordinates
(especially dihedral angles) when an amino acid in my structure file and
the amino acid in my alignment
file are identical? In other words, I would like to constrain (fix)
internal coordinates when there is no change of
amino acids when building homology models.
Please also comment if for some reason this is not a good idea.
James T. Metz, Ph.D.
Research Investigator Chemist
GPRD R46Y AP10-2
100 Abbott Park Road
Abbott Park, IL 60064-6100
Office (847) 936 - 0441
FAX (847) 935 - 0548
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