netcdf mdtrj { dimensions: frame = UNLIMITED ; // (10 currently) spatial = 3 ; atom = 28 ; label = 5 ; cell_spatial = 3 ; cell_angular = 3 ; variables: char spatial(spatial) ; float time(frame) ; time:units = "picosecond" ; float coordinates(frame, atom, spatial) ; coordinates:units = "angstrom" ; char cell_spatial(cell_spatial) ; char cell_angular(cell_angular, label) ; double cell_lengths(frame, cell_spatial) ; cell_lengths:units = "angstrom" ; double cell_angles(frame, cell_angular) ; cell_angles:units = "degree" ; float velocities(frame, atom, spatial) ; velocities:units = "angstrom/picosecond" ; velocities:scale_factor = 20.455f ; // global attributes: :title = "netCDF output test" ; :application = "AMBER" ; :program = "sander" ; :programVersion = "10.0" ; :Conventions = "AMBER" ; :ConventionVersion = "1.0" ; }