Hii marc,
yes i looked at the "JOB2-gam_m1-1-(X).log" file but it is blank. So i
have no idea where the problem is.Thanks in advance
On Thu, Sep 6, 2012 at 9:00 AM, Marc van der Kamp
<marcvanderkamp.gmail.com>wrote:
> Hi,
>
> I'm sure FyD will reply at some point, but it would be more useful to show
> what error JOB2-gam_m1-1-(X).log shows, as your output says:
>
> See the file(s) "JOB2-gam_m1-1-(X).log"
>
> Have you looked at that?
>
> --Marc
>
> On 6 September 2012 13:57, shomesankar bhunia <
> rightclickatrighttime.gmail.com> wrote:
>
> > Hii
> > I am trying to calculate the RESP charges using RED-vIII.5. tools. but i
> > am getting the following error. what I have to do. Thanks in advance.
> >
> >
> >
> > * Selected optimization output *
> > GAMESS
> > Optimization OUTPUT looks nice !
> >
> > * 1 conformation(s) selected *
> >
> > WARNING:
> > A 2nd column of atom names is detected
> > This 2nd column will be used in the PDB (& Tripos) file(s)
> >
> > WARNING:
> > No three atom based re-orientation found in the P2N file
> > Re-orientation will be done according to the GAMESS Algorithm!
> >
> > * Selected QM Software *
> > GAMESS
> >
> > * Software checking *
> > gamess.00.x [ OK ]
> > rungms [ OK ]
> > ddikick.x [ OK ]
> > resp [ OK ]
> >
> > The Scratch directory defined for GAMESS is .
> >
> > Scratch directory for GAMESS [ OK ]
> >
> >
> >
> > The punch file directory defined for GAMESS is $SCR/$JOB.dat
> >
> > MEP(s) is/are being computed for molecule 1 ... [ FAILED ]
> > See the file(s) "JOB2-gam_m1-1-(X).log"
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Received on Thu Sep 06 2012 - 06:30:03 PDT
