AMBER Archive (2007)

Subject: AMBER: Tutorial for chemical shift calculation?

From: Mike Summers (summers_at_hhmi.umbc.edu)
Date: Mon Feb 05 2007 - 19:04:48 CST


I'd like to calculated the chemical shift of a
methyl group within a protein. Based on my reading
of the Amber9 manual, I think I should use DivCon, but
I can't find examples on how to execute DivCon,
how to set up the input files, etc. Some examples I've
found suggest that DivCon is executed from within Antechamber.

Is there a tutorial somewhere that would help guide me?

Thanks in advance,

Mike

-- 

********************************* Michael F. Summers Department of Chemistry and Biochemistry and Howard Hughes Medical Institute University of Maryland Baltimore County 1000 Hilltop Circle Baltimore, MD 21250

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