lammps/examples/deposit/molecule.dimer.shake

# dimer molecule

2 atoms
1 bonds

Coords

1 0 0 0
2 1 0 0

Types

1 2
2 3

Bonds

1 1 1 2

Special Bond Counts

1 1 0 0
2 1 0 0

Special Bonds

1 2
2 1

Shake Flags

1 2
2 2

Shake Atoms

1 1 2
2 1 2

Shake Bond Types

1 1
2 1