[gmx-users] Delete Groups from gro file

p.c.kroon at rug.nl p.c.kroon at rug.nl
Wed Sep 11 12:42:13 CEST 2019

Hi Larissa,

`gmx editconf` should do what you need for gro files; `gmx trjconv` for trajectories.


-----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 Gselman, Larissa
Sent: Wednesday, September 11, 2019 12:10 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] Delete Groups from gro file

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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