MOLINFO STRUCTURE=test.pdb
DUMPATOMS ATOMS=@nucleic FILE=nucleic.gro
DUMPATOMS ATOMS=@water FILE=water.gro
DUMPATOMS ATOMS=@ions FILE=ions.gro
# notice that here water is labeled as chain C:
DUMPATOMS ATOMS=@OW-C8 FILE=oneox.gro
DUMPATOMS ATOMS=@hydrogens FILE=h.gro
DUMPATOMS ATOMS=@nonhydrogens FILE=nh.gro
