[modeller_usage] How to preserve internal coordinates for identical residues

["James T Metz" <>]

Modeller Users,

        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.

        Regards,
        Jim Metz


James T. Metz, Ph.D.
Research Investigator Chemist

GPRD R46Y AP10-2
Abbott Laboratories
100 Abbott Park Road
Abbott Park, IL  60064-6100
U.S.A.

Office (847) 936 - 0441
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