On Sat, Jun 14, 2014 at 4:41 AM, Jinfeng Huang <wwsshhjjff00.163.com> wrote:
> Dear Amber users:
> I use Amber14 (AmberTools14) to carry out a simulation of QM/MM
> calculation using Amber/Gaussian interface, but it warned as follows:
> =============================warnings=======================
> SANDER BOMB in subroutine get_gau_forces (qm2_extern_gau_module)
> Error with system call (executing Gaussian)
> Will quit now.
> ===========================================================
> What should I do to deal with the problem ? Any help will be grateful.
>
Find out why the system call to Gaussian is failing. Sander should have
printed out an input file for Gaussian as well as an output file after it
tried running Gaussian. Look in the output file for an error message (or
try to run that Gaussian calculation by hand and look for the error).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Jun 14 2014 - 06:30:02 PDT
