Re: [AMBER] QM/MM optimization error

From: Jason Swails <>
Date: Mon, 08 Sep 2014 07:52:25 -0400

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 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.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Sep 08 2014 - 05:00:03 PDT
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