On Wed, Feb 13, 2013, Matthias Leeder wrote:
>
> if type:
> $AMBERHOME/bin/antechamber -i yxz.pdb -fi pdb -o xyz.mol2 -fo mol2 -c
> bcc -s 2
> I get
> Cannot open the input file:xyz.pdb in rpdb(), exit
I assume there is a typo above "yxz" vs "xyz". Antechamber looks in the
directory you are working in, (where you typed $AMBERHOME/bin/antechamber).
What is the result of typing "ls -l xyz.pdb" in the same directory?
Note also that file names are case sensitive: XYZ.pdb is different from
xyz.pdb is different from XYZ.PDB.
...dac
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Received on Wed Feb 13 2013 - 12:00:02 PST
