[gmx-users] Specifying more than one index group via the command line

Peter Stern peter.stern at weizmann.ac.il
Tue Oct 23 10:13:48 CEST 2018


This is really a linux and not a gromacs question.  There are many ways of inputting data to a script depending upon which shell you use.
One way is to input the data from a file.  
You should google how to do this for the shell you use (bash, tcsh, etc.) and choose the solution which suits you.


-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Francisco Lobo Cabrera
Sent: Tuesday, October 23, 2018 10:24 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] Specifying more than one index group via the command line


Is it possible to specify several index groups through the command line?

For example, to compute hydrogen bonds, hbond needs two index groups. This can be done through the interactive prompt, but I need to submit this instruction wtih a script. I have searched around but have not found anything.

Thank you for your attention.

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