Quoting tomjas.poczta.onet.pl:
> I'm pretty newbie to RED so I've got problem running it. I installed
> everything exactly according to the manual. And now I got this error trying
> to run RED:
> ---------------------------
> * Welcome to R.E.D. II *
> RESP ESP charge Derive
> MOLECULE = Molecule
> CHARGE = RESP
> ---------------------------
> * Selected QM Software *
> GAMESS
> ERROR: The PDB file is not in the working directory
> Press Enter to exit
>
> My system to Fedora Core 4. Gamess passed all tests and resp also seems to be
> working ok. Of course I've set variables in ~/.cshrc like it was written in
> the manual. I suupose there is some silly mistake - but I cannot find it.
In the title of this email, you wrote X-RED...
Do you use R.E.D. or X-R.E.D. ? (I would 1st try R.E.D. without X-R.E.D.)...
- In your login, create a new directory "TEST"
- Copy RED-vII.pl & your initial PDB structure (let'say "ttt.pdb") in "TEST".
- cd TEST
- edit RED-vII.pl and provide such variable:
$MOL_START = "./ttt.pdb";
It should work (I also use FC 4.0).
regards, Francois
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Received on Mon Nov 07 2005 - 13:53:01 PST
