[gmx-users] submitting gmx cluster
peter.stern at weizmann.ac.il
Fri Jul 31 14:58:56 CEST 2015
Or you can simply create a file, say "input" with an option on each line and then,
gmx something < input
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Lábas Anikó
Sent: Friday, July 31, 2015 11:53 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] submitting gmx cluster
Dear Gromacs Users,
I would like to submit my 'gmx cluster' job, but I don't know how can I define in my command line the following two options, which normally appear on the screen when I run gmx cluster on my head machine:
1. "Select group for least squares fit and RMSD calculation"
2. "Select group for output"
Can You tell me any suggestions?
Thank You in advance!
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