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 wi
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
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“
