Generate gro file with atoms labelled by their type

User discussions
1

GROMACS version: 2021.3
GROMACS modification: Yes/No

Dear Gromacs users,

I was wondering whether there was a way to generate a .gro file with the atoms labelled by their type as given in the aminoacids.rtp file. I wish to use this to create an input for LAMMPS.

Thanks for any help

2

Coordinate files do not support inclusion of topological information like atom types.