I like to use this awk script to do the conversions. How
to use it is in the header of the script simple command line...
~Levi
2010/5/25 <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 the pdb file.
>
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Received on Tue May 25 2010 - 22:30:06 PDT
