[gmx-users] Delete Groups from gro file

Gselman, Larissa larissa.gselman at rwth-aachen.de
Wed Sep 11 12:10:33 CEST 2019

Hallo All,

I have a big gro file with 10 different groups. For my simulation, I only need one (Group 6) of them in a new gro file.

So, how can I make this new gro file?

I made an index file with this command:

gmx_mpi make_ndx -f membrane.gro -o membrane.ndx

and selected my group with „keep 6“

Is there a command to create a new gro file only containing this group 6?

Thank you very much for your help!

Kind Regards,

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