title | brief | taxonomy | docroot | template | ||
---|---|---|---|---|---|---|
dlp2config |
Convert a history file into individual CONFIG files |
|
/dlputils/docs |
manpage |
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.
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.)
None.