Dear Dipesh,
The Gaussian calculation did not finish and it’s hard to say why. You can try to run “g09 gau_job.inp” to see whether it finishes correctly. Or just re-run your QM/MM minimization.
All the best,
Andy
—
Dr. Andreas W. Goetz
Assistant Project Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
> On May 2, 2017, at 3:35 PM, Budhathoki, Dipesh <budhdipe.pharmacy.isu.edu> wrote:
>
> Hello all users,
>
> I tried to run QM/MM minimization using amber-gaussian using g09. I get the
> following errors in the output file of amber-gaussian after sometime.
>
>
> SANDER BOMB in subroutine get_gau_forces (qm2_extern_gau_module)
> Error with system call (executing Gaussian)
> Will quit now
>
> I tried to view the gau_job.log file it shows the following last few lines
> and terminates.
>
> ExpMin= 3.60D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn= 5
> AccDes= 0.00D+00
> Harris functional with IExCor= 1009 and IRadAn= 5 diagonalized for
> initial guess.
> HarFok: IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F
> ITyADJ=14
>
> Below are the attached output file of amber-gaussain and gau_job.log file.
>
> Any help will be appreciated
> <amber_gauss_testing_min.out><gau_job.log>_______________________________________________
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Received on Tue May 02 2017 - 16:30:02 PDT
