CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / MOL_SET / MERGE_MOLECULES

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Input reference of CP2K version 2022.1

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

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(Last update: 8.8.2022)