AMBER Archive (2003)

Subject: AMBER: antechamber mopac7 parameters

From: Joey Harriman (s808o_at_unb.ca)
Date: Wed Nov 12 2003 - 09:06:41 CST

Hi,

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.

Thanks,
Joey

----------------------------------
Joey Harriman
MSc Computational Chemistry
University of New Brunswick
Room 228
Toole Hall
s808o_at_unb.ca
476-6543
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