AMBER Archive (2009)
Subject: [AMBER] different results for antechamber/mopac for the same input
From: Alan (alanwilter_at_gmail.com)
So I have this small molecule (GNP) with charge = 0.
Running antechamber in my laptop (mac intel) and I got the results
Below some results from mopac.out. It's the same mopac.in input but in
"""""""""""""UNABLE TO ACHIEVE SELF-CONSISTENCE
HEAT OF FORMATION IS ESSENTIALLY STATIONARY
Is there any idea for why I might have this different result?
Many thanks in advance,
-- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<<