Subject: pyridoxal phosphate AM1 optimisation

From: Michael Dooley <[email-masked]>
Date: Tue, 22 Apr 1997 15:03:13 -0700

Dear all,
	I was trying to do a simple optimisation of pyridoxal phosphate in the
deprotonated phosphate form using MOPAC and AM1 for a colleague, but 2
of the phosphate oxygens kept bonding.  Am I using an inappropriate semi
empirical method?  I'm specifying gradients precise ef am1.  
thanx
Michael
-- 
Michael Dooley PhD
Centre for Drug Design and Development
The University of Queensland
Brisbane Qld 4072 Australia
[email-masked]