On Mon, 2014-09-08 at 10:46 +0800, 王珍 wrote:
> Hi all, when I use the gaussian and amber to optimization the structure in QM/MM, it appears error in the file of 1.out:" SANDER BOMB in subroutine get_gau_forces (qm2_extern_gau_module). ERROR with system call (executing Gaussian). Will quit now." Thank you in advance.
> The file of the 1.in is following:
Check the Gaussian output for problems. The external interface tried
running Gaussian, but encountered an error so it quit. The key to what
went wrong is probably found in the Gaussian output file.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Sep 08 2014 - 05:00:03 PDT
