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

From: saurabh agrawal <>
Date: Tue, 12 Dec 2006 11:39:39 +0000 (GMT)

 Dear Friends,
I am trying to use the RED for resp calculation with
Gamess. But i am getting the following error.

                      * Welcome to R.E.D. II *
                         RESP ESP charge Derive
                       MOLECULE = Molecule
                       CHARGE = RESP
                        * Selected QM Software *
        ERROR: The PDB file is not in the working
        Press Enter to exit

I have tried the following solution given in the Amber

Copy & your initial PDB structure (let'say
"ttt.pdb") in
"TEST". - cd TEST
- edit and provide such variable:
$MOL_START = "./ttt.pdb";

But it is not working.

If one help me regarding the error, that will be great
help from his/her side.

Thanking in advance.


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Received on Wed Dec 13 2006 - 05:21:56 PST
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