[AMBER-Developers] antechamber / sqm peptide correction

From: Andreas Goetz <agoetz.sdsc.edu>
Date: Tue, 15 Dec 2009 17:48:01 -0800

Hi,

At present the peptide correction for semiempirical methods is not
switched on by antechamber when generating AM1-BCC charges with sqm. As
far as I can see it used to be switched on with mopac. Shouldn't this be
changed?

All the best,
Andy

-- 
Dr. Andreas W. Goetz
San Diego Supercomputer Center
Tel  : +1-858-822-4771
Email: agoetz.sdsc.edu
Web  : www.awgoetz.de
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Received on Tue Dec 15 2009 - 18:00:01 PST