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
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Received on Tue May 02 2017 - 16:00:03 PDT
