dlp2config converts a DL_POLY history file into one or more CONFIG files

Related programs:

  • To convert a history file into a single sequential XYZ trajectory, see dlp2xyzf.
  • To extract individual DL_POLY configurations from a history file, see dlp2config.
  • To convert between formatted and unformatted history files, see dlp2dlp.
  • To extract individual XYZ frames from a history file, see dlp2xyzs.

Basic Usage

dlp2config <HISTORYfile> <frame>

Where:

  • <HISTORYfile> is the name of the DL_POLY HISTORY file to be converted
  • <frame> is the integer index of the frame to be written, or a negative number specifying the frequency with which to convert multiple frames (e.g. -1 = convert all frames, -10 = convert every 10th frame etc.)

Switches

None.