[AMBER] Regarding amber-gaussian QM/MM problem

From: Budhathoki, Dipesh <budhdipe.pharmacy.isu.edu>
Date: Tue, 2 May 2017 16:35:08 -0600

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

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
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