Section IMPROPERS

• Defines new impropers

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

• 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 improper 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.