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