AMBER Archive (2005)

Subject: AMBER: XRED II error while initializing

From: tomjas_at_poczta.onet.pl
Date: Mon Nov 07 2005 - 06:17:12 CST


Hi.
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.
Thank you.
Regards
TJ
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