share/html/online/g96.html

   1 <title>g96 file format</title>
   2 <body>
   3 <h1>g96 file format</h1>
   4
   5 <p>A file with the g96 extension can be a GROMOS-96 initial/final
   6 configuration file or a coordinate trajectory file or a combination of both.
   7 The file is fixed format, all floats are written as 15.9 (files can get huge).
   8 GROMACS supports the following data blocks in the given order:
   9 <ul>
  10 <li> Header block:
  11 <ul>
  12 <li><tt>TITLE</tt> (mandatory)
  13 </ul>
  14 <li> Frame blocks:
  15 <ul>
  16 <li><tt>TIMESTEP</tt> (optional)
  17 <li><tt>POSITION/POSITIONRED</tt> (mandatory)
  18 <li><tt>VELOCITY/VELOCITYRED</tt> (optional)
  19 <li><tt>BOX</tt> (optional)
  20 </ul>
  21 </ul>
  22 See the GROMOS-96 manual for a complete description of the blocks.
  23 <p>
  24 Note that all GROMACS programs can read compressed or g-zipped files.
  25
  26 </body>
  27