[4220] in Software_Announce
RMG installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Fri Jan 13 13:04:08 2017
From: Alex T Prengel <alexp@mit.edu>
To: software-announce@mit.edu
Cc: alexp@mit.edu, whgreen@mit.edu, soumyag@mit.edu
Date: Fri, 13 Jan 2017 13:04:05 -0500
I've installed RMG on Athena. RMG is an automatic chemical reaction
mechanism generator that constructs kinetic models composed of
elementary chemical reaction steps using a general understanding of how
molecules react.
To run it, type:
setup rmg
and in the window that opens,
source activate rmg_env
followed by a command like
rmg.py input.py (where input.py is a job input data file)
Please see http://web.mit.edu/rmgchem/README.athena for additional
information and links to documentation which will be necessary to use
RMG.
Alex
