[AMBER] MOPAC2009 output results into antechamber

From: Alex Boncheff <abonchef.uoguelph.ca>
Date: Wed, 21 Apr 2010 11:14:58 -0400 (EDT)

Hi all,

I'm trying to calculate the partial atomic charges for molecules to be inputted into antechamber for conversion into prep files. Normally I would use the MOPAC6 that's present with AmberTools1.2 but I need something that can process more than 200 atomic centres. Using '-fi mopout' flags on both the .out and .arc files that result from MOPAC2009 calculations does not work. Any advice? 

-- 
Alex Boncheff
Department of Chemistry
University of Guelph
Guelph, ON, Canada
N1G 2W1
Office: MacNaughton 233
T: 519-824-4120 x 58111
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Received on Wed Apr 21 2010 - 08:30:02 PDT
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