Quick and dirty bash script, converts DL_POLY CONFIG file to XYZ file
Quick and dirty bash script, converts DL_POLY CONFIG file to XYZ file
Syntax: ./conf2xyz.bsh CONFIG_FILE XYZ_FILE
Note: This is for simple XYZ file format, not TINKER XYZ. Not tested for extreme cases. No periodic boundary stuff (since XYZ files do not contain it).
Mainly this allows for quick viewing of a DL_POLY CONFIG file without having to run any simulations.
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