[gmx-users] How to use make_ndx in script to combine 2 groups
agnivogromacs14 at gmail.com
Wed Nov 19 23:47:55 CET 2014
I plan to use make_ndx in a script for passing it on to grompp by combining
two groups of molecules in my system.
When running interactively I use make_ndx -f xyz.gro -o index.ndx
Choose groups :
group1 | group 4
I was thinking of putting these set of interactions on a script. Can I type
group1 , group4 , | , q on a .txt file and pass it onto make_ndx in the
script. I have not seen myself , but I am speculating. Please bear with my
Thanks & Regards
Grad Student, Iowa State University.
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