CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / MOL_SET / MERGE_MOLECULES

Back to the main page of this manual

Input reference of CP2K version 9.1

Section MERGE_MOLECULES

Enables the creation of connecting bridges (bonds, angles, torsions, impropers) between the two or more molecules defined with independent connectivity.

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

This section cannot be repeated.

Subsections
- ANGLES
- BONDS
- IMPROPERS
- TORSIONS

Keywords
- none

Back to the main page of this manual or the CP2K home page

(Last update: 31.12.2021)