[gmx-users] Delete Groups from gro file

[John Whittaker]

Hi,

You could use gmx trjconv:
http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-trjconv.html

You can use the index file to select only that subset of atoms from a
single frame of your trajectory and output it as a new .gro file.

Cheers,

John

> 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,
> Larissa
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