Format reference

• chemfiles (chemfiles Trajectory or file)
• CONFIG (DL_Poly Config)
• HISTORY (DL_Poly Config)
• COOR, NAMBDIN (NAMD binary restart files)
• CRD (CHARMM CARD files)
• DATA (LAMMPS)
• DCD (CHARMM, NAMD, or LAMMPS trajectory)
• DCD (Flexible LAMMPS trajectory)
• DMS (Desmond Molecular Structure files)
• GMS (Gamess trajectory)
• GRO (GROMACS structure file)
• GSD (HOOMD GSD file)
• IN, FHIAIMS (FHI-aims input files)
• INPCRD, RESTRT (AMBER restart files)
• ITP (GROMACS portable topology files)
• LAMMPSDUMP (LAMMPS ascii dump file)
• MMTF (Macromolecular Transmission Format)
• MOL2 (Tripos structure)
• NCDF, NC (AMBER NetCDF trajectory)
• ParmEd (ParmEd Structure)
• PDB, ENT (Standard PDB file)
• PDBQT (Autodock structure)
• PQR file (PDB2PQR / APBS)
• PSF (CHARMM, NAMD, or XPLOR protein structure file)
• TOP, PRMTOP, PARM7 (AMBER topology)
• TPR (GROMACS run topology files)
• TRJ, MDCRD, CRDBOX (AMBER ASCII trajectory)
• TRR (GROMACS lossless trajectory file)
• TRZ (IBIsCO and YASP trajectory)
• TXYZ, ARC (Tinker)
• XML (HOOMD)
• XPDB (Extended PDB file)
• XTC (GROMACS compressed trajectory file)
• XYZ trajectory