[AMBER] QM/MM interfacing Gaussian

From: Ahmed Ayoub <atayoub.ualberta.ca>
Date: Sat, 26 Oct 2013 05:21:45 -0600


I'm trying to run Amber on a QM/MM minimization with Gaussian interface and
Sander keeps complaining that it doesn't find g09. I keep getting this

* SANDER BOMB in subroutine check_installation (qm2_extern_gau_module)
 Executable g03 or g09 not found
 Please check your Gaussian installation*

Strangely, g09 is in the path and I always include it even in the job
script and still it doesn't work. It runs on the command line though, but
not on the queue.

Does any one have any clue?

Ahmed Taha Ayoub
PhD Student, Theoretical and Computational Chemistry
W4-54, Department of Chemistry
11227 Saskatchewan Drive
University of Alberta
Edmonton, Alberta T6G 2G2
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Received on Sat Oct 26 2013 - 04:30:02 PDT
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