[AMBER] P2N file error from RED

From: Urszula Uciechowska <urszula.uciechowska.chem.umu.se>
Date: Tue, 17 Apr 2012 14:59:11 +0200

Dear Amber users,

I have prepared my p2n file and sent to RED IV. I got this error:

       WARNING:
    Gaussian outputs generated by R.E.D. Server are stripped by R.E.D. IV
                    (in agreement with Gaussian Inc.)
         Only pieces of information related to charge derivation
                 are conserved in the Gaussian outputs.

           g09 [ OK ]
           resp [ OK ]


           The Scratch directory defined for Gaussian is /tmp/R.E.D.IV-8920.master0.q4md-forcefieldtools.org

           Scratch directory for Gaussian [ OK ]


   Geometry optimization(s) is/are being computed for molecule 1 ...

        Conformation 1 ... [ FAILED ]
        See the file(s) "JOB1-gau_m1-1.out"

        Check the total charge and spin multiplicity in your P2N file!



                Execution time: 0 h 0 m 1 s

My p2n file is attached. What should I include more in p2n file?

Thank you for any advise

/Urszula

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Received on Tue Apr 17 2012 - 06:30:03 PDT
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