Quoting saurabh agrawal <imsam100.yahoo.co.in>:
> ---------------------------
> * Welcome to R.E.D. II *
> RESP ESP charge Derive
> MOLECULE = Molecule
> CHARGE = RESP
> ---------------------------
>
> * Selected QM Software *
> GAUSSIAN
>
> ERROR: The PDB file is not in the working directory
> Press Enter to exit
Can you try this ?
mkdir TEST
mv YourPDBfile Mol.pdb
cp RED-vII.pl TEST
cp Mol.pdb TEST
perl RED-vII.pl
or
perl RED-vII.pl > perl RED-vII.log
Check that $MOL_START="./Mol.pdb" in R.E.D. II
(MAIN PROGRAM section, at the end of the code)
It should work.
regards, Francois
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Received on Wed Dec 13 2006 - 05:21:58 PST
