AMBER Archive (2006)

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

From: saurabh agrawal (imsam100_at_yahoo.co.in)
Date: Tue Dec 12 2006 - 05:39:39 CST

 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 *
                                GAUSSIAN
                                                      
                         
        ERROR: The PDB file is not in the working
directory
                                                      
                         
        Press Enter to exit
_________________________________________________

I have tried the following solution given in the Amber
archieve.

*******************************************
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";
******************************************

But it is not working.

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

Thanking in advance.

saurabh

                
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