Hello,
Thanks for suggestion Francois, But it is not working
Dear.
Actualy I had generated the Electrostatic potentials
with pcgamess, But i do not know, how to prepare input
file for antechamber through GAMESS output. That is
why i was trying RED so that it could become bit easy,
But reverse is happening. If someone can tell me how
to prepare Gamess output file to antechamber input, or
how to debug the RED error, any one will be nice for
me.
Thanking in advance.
saurabh
--- FyD <fyd.u-picardie.fr> wrote:
> 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 Thu Dec 14 2006 - 16:48:16 PST
