Hello,
If all you're trying to do is convert a gaussian output file to a PDB, may I
suggest using openbabel instead. If you are trying to create a custom
residue library for use in leap (or amber), then I would suggest choosing
some format with charges (i.e. amber prep or mol2 file). See the tutorials
on how to appropriately use a gaussian output file to obtain this (
ambermd.org/tutorials/).
On the other hand, providing us with the gaussian output file as opposed to
the input file would help diagnosing the issue, too (unless someone more
knowledgeable than me can see something wrong with the command straight away
and comment).
All the best,
Jason
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 the pdb file.
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue May 25 2010 - 22:30:05 PDT
