AMBER: antechamber mopac7 parameters

From: Joey Harriman <>
Date: Wed, 12 Nov 2003 11:06:41 -0400


Thanks to everyone who offered help for implementing AM1-BCC on Amber7. I currently
have it working in Amber7. However, I have encountered one small problem. The AM1-BCC
charges work fine with small molecules, however when using large molecules I get an
error. When I open the ANTECHAMBER_MUL.OUT file it says that the maximum number of
atoms is 80. Is there a way to recompile mopac7 to allow more that 80 atoms in the
antechamber bcc calculations? Any help is greatly appreciated.


Joey Harriman
MSc Computational Chemistry
University of New Brunswick
Room 228
Toole Hall

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Received on Wed Nov 12 2003 - 15:53:01 PST
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