dlp2xyzs converts a DL_POLY history file into a separate XYZ 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.

Basic Usage

dlp2xyzf <HISTORYfile> <interval>

Where:

  • <HISTORYfile> is the name of the DL_POLY HISTORY file to be converted
  • <interval> is the frequency with which to output XYZ frames of the trajectory (1 = write every frame, 10 = write every 10th frame etc.)

Switches

None.