Section TORSIONS

• Defines new torsions

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / MOL_SET / MERGE_MOLECULES / TORSIONS

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • DEFAULT_KEYWORD

• Keyword descriptions

  DEFAULT_KEYWORD
  	{Integer} {Integer} {Integer} {Integer}
  	Four integer indexes per line defining the new torsion Indexes must be relative to the full system and not to the single molecules
  	This keyword can be repeated and it expects precisely 4 integers.