[4225] in Software_Announce
Re: RMG installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Tue Jan 17 16:37:55 2017
From: Alex T Prengel <alexp@mit.edu>
To: software-announce@mit.edu
Cc: alexp@mit.edu, whgreen@mit.edu, soumyag@mit.edu
Date: Tue, 17 Jan 2017 16:37:52 -0500
In-Reply-To: <1484330645.27582.11.camel@dit.mit.edu>
There was a typo in the setup command; it should have been:
setup rmgchem
Sorry for the potential confusion.
Alex
On Fri, 2017-01-13 at 13:04 -0500, Alex T Prengel wrote:
> 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
>
>
