Re: [AMBER] antechamber

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Wed, 26 May 2010 11:12:55 -0300

Can you send the actual gaussian output you used, and the detailed
commands you gave?

Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7417



2010/5/26 <missing_grace.sina.com>:
>  Hi, i try to use antechamber to convert the Gaussian output file (1G5Q.log) to the pdb format ,use it : antechamber -i 1G5Q.log -fi gout -o 1G5Q.pdb  -fo pdb
> But i always the line:No atom read in, the gaussian output file may not complete, exit
> i do not know what is wrong
> Could you give me some help ?
> Thank u in advance !
>
> Check the Guassian input file and output file.
>
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Received on Wed May 26 2010 - 07:30:16 PDT
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