AMBER Archive (2006)

Subject: Re: AMBER: ERROR: The PDB file is not in the working directory

From: FyD (fyd_at_u-picardie.fr)
Date: Tue Dec 12 2006 - 06:57:56 CST

Quoting saurabh agrawal <imsam100_at_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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