## GROMACS
File Formats

Main Table of Contents

VERSION 4.0
Sun 18 Jan 2009

### Parameter files

mdp
  run parameters, input for grompp and tpbconv
m2p
  input for xpm2ps

### Structure files

  gro
    GROMACS format
  g96
    GROMOS-96 format
  pdb
    brookhaven Protein DataBank format
  Generic structure formats: gro, g96, pdb, tpr, tpb or tpa
  Structure+mass(db): tpr, tpb, tpa, gro, g96 or pdb.
    Structure and mass input for analysis tools. When gro or pdb is used approximate masses will be read from the mass database.

### Topology files

  top
    system topology (ascii)
  itp
    include topology (ascii)
  rtp
    residue topology (ascii)
  ndx
    index file

### Run Input files

  tpr
    system topology, parameters, coordinates and velocities (binary, portable)
  tpa
    system topology, parameters, coordinates and velocities (ascii)
  tpb
    system topology, parameters, coordinates and velocities (binary)
  Generic run input file formats: tpr, tpb or tpa

### Trajectory files

  trj
    x, v and f (binary, full precision)
  trr
    x, v and f (binary, full precision, portable)
  xtc
    x only (compressed, portable, any precision)
  g87
    x and v (ascii)
  gro
    x and v (ascii, any precision)
  g96
    x only (ascii, fixed high precision)
  pdb
    x only (ascii, reduced precision)
  Full precision formats: trr or trj
  Generic trajectory formats: xtc, trr, trj, gro, g96, pdb or g87

### Energy files

  ene
    energies, temperature, pressure, box size, density and virials (binary)
  edr
    energies, temperature, pressure, box size, density and virials (binary, portable)
  Generic energy formats: edr or ene

### Other files

  dat
    generic, preferred for input
  edi
    essential dynamics constraints input for mdrun
  edo
    essential dynamics constraints output for mdrun
  eps
    Encapsulated Postscript
  log
    log file
  map
    colormap input for do_dssp
  mtx
    binary matrix data
  out
    generic, preferred for output
  tex
    LaTeX input
  xpm
    ascii matrix data, use xpm2ps to convert to eps
  xvg
    xvgr input

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