Coordinates

Table of supported coordinate readers and the information read

File type	Description	Velocities	Forces
ARC	Tinker file
CHEMFILES	use readers from chemfiles library
CONFIG	DL_Poly CONFIG file	✓
COOR	NAMD binary restart file
CRD	CHARMM CARD file
CRDBOX	AMBER ASCII trajectories
DATA	LAMMPS data file	✓
DCD	CHARMM, NAMD, or LAMMPS binary trajectory
DMS	DESRES Molecular Structure file	✓
ENT	Standard PDB file
FHIAIMS	FHI-aims input file	✓
GMS	GAMESS file
GRO	GROMACS structure file	✓
GSD	HOOMD GSD file
H5MD	H5MD trajectory format
HISTORY	DL_Poly HISTORY file	✓
IN	FHI-aims input file	✓
INPCRD	AMBER restart file
LAMMPS	a LAMMPS DCD trajectory
LAMMPSDUMP	LAMMPS ascii dump file
MDCRD	AMBER ASCII trajectories
MMTF	MMTF file
MOL2	Tripos MOL2 file
NAMDBIN	NAMD binary restart file
NC	AMBER NETCDF format	✓	✓
NCDF	AMBER NETCDF format	✓	✓
OPENMMAPP	OpenMM Application layer objects
OPENMMSIMULATION	OpenMM Simulation objects	✓	✓
PARMED	ParmEd Structure
PDB	Standard PDB file
PDBQT	PDBQT file
PQR	PQR file
RDKIT	RDKit Molecule
RESTRT	AMBER restart file
TNG	Trajectory Next Generation file	✓	✓
TRC	GROMOS11 trajectory file
TRJ	AMBER ASCII trajectories
TRR	GROMACS TRR trajectory	✓	✓
TRZ	IBIsCO or YASP binary trajectory	✓
TXYZ	Tinker file
XPDB	Extended PDB file
XTC	GROMACS compressed trajectory
XYZ	XYZ file