AMBER Archive (2002)

Subject: am1-bcc charges, antechamber

From: Sophia Kondratova (x357l_at_unb.ca)
Date: Wed Jul 24 2002 - 14:02:02 CDT

I am trying to calculate am1-bcc charges. I have installed mopac7 and it seems
to be working properly. Using gaussian98 am1 output, when I try to run the
following command
antechamber -i input -fi gout -o output -fo ac -c bcc, the following error
comes up:

Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
ANTECHAMBER_MUL.OUT
Unable to find mopac charges in ANTECHAMBER_MUL.OUT

The file ANTECHAMBER_MUL.OUT contains the following message "INPUT FILE
MISSING OR EMPTY"

I tried to calculate just the mulliken charges by:
antechamber -i input -fi gout -o output -fo ac -c mul. The ac file was
created, but it had no charges in it.

Any help would be greatly appreciated

Sophia Kondratova
Chemistry Department
University of New Brunswick