It was more work than I thought, but not as bad as it could have been. I got it to work for at least a tleap build and a sander.MPI minimization.
After installing docker, issuing the command:
docker run lachele/ambertools
...should reward you with a usage message.
See the repo below to find out how I built the image and to re-run my examples.
https://github.com/Lachele/docker_AT
git clone
https://github.com/Lachele/docker_AT.git
Some of my workarounds are clunky. Feel free to assist with de-clunking.
If you like it a lot, it could move to a more official space. If you hate it, I can delete it.
:-) Lachele
Dr. B. Lachele Foley
Associate Research Scientist
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.org
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Received on Wed Oct 12 2016 - 09:00:04 PDT
