[Openchemistry-users] Help Using Molequeue to submit NWChem jobs

Ganapati Natarajan gantapa at gmail.com
Sun Dec 20 08:17:03 EST 2020


I am new user. I wish to use the latest version of Molequeue on Windows along with Avogadro 2 to submit NWChem jobs, create inputs and analyse the output. But I havent' yet setup a python installation on windows.
I also do not mind using molequeue to submit my text input files for NWChem.
Could you kindly offer any instructions on how to use molefacture to submit jobs as I looked on the wiki but it only explains how to setup queues and programs which I did in the queue manager, I couldn't find anything about setting up jobs and submitting them or any menu buttons to achieve that.
Stay safe.


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