AMBER Archive (2003)

Subject: Re: AMBER: AM1-BCC in Amber7

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Mon Nov 10 2003 - 07:37:05 CST

you need download mopac and compile it.
> Hi,
>
> I am trying to some AM1-BCC charge calculations in Amber7, but keep getting error
> messages. First, do you need to calculate charges in Gaussian when you do the AM1
> optimization (if so what method do people use)? Secondly, I am using the following
> input for antechamber and getting this error:
>
>
> antechamber -i LIGAND_NO_H_AM1.out -fi gout -o ligand_no_H_am1bcc.mol2 -fo mol2 -c bcc
>
> Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP ANTECHAMBER_MUL.OUT
> Unable to find mopac charges in ANTECHAMBER_MUL.OUT
>
>
> Am I using the correct input syntax in antechamber? Any advice would be greatly
> appreciated. Thanks in advance.
>
> Joey
>
> ----------------------------------
> Joey Harriman
> MSc Computational Chemistry
> University of New Brunswick
> Room 228
> Toole Hall
> s808o_at_unb.ca
> 476-6543
> ----------------------------------
>
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