[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


Hi,

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.

Peter

-----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

Hello:

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.

Francisco
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