GROMACS modification: No
How to merge two
gro files, I tried the technique that was discussed here
But there are complications
- it needs manual deletion
- renumber deletes the 2nd merged gro
- resnr just renumbers the atom but not the residue
is there a gromacs command that bypasses these complications?
you need some deletion and manipulation to add two files.
- Convert gro to pdb with → gmx editconf -f first_file.gro -o first_file.pdb
gmx editconf -f second_file.gro -o second_file.pdb
- On linux terminal run → cat first_file.pdb second_file.pdb > final.pdb
- Open final.pdb, locate end of first file and delete it. 4-6 lines.
- Convert file back to gro format → gmx editconf -f final.pdb -o final.gro
- renumber gro file → gmx genconf -f final.gro -o final.gro -renumber