The CP2K project : input section MERGE_MOLECULES

Section MERGE_MOLECULES

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%TOPOLOGY%MOL_SET%MERGE_MOLECULES.

Enables the creation of connecting bridges (bonds, angles, torsions, impropers) between the two or more molecules defined with independent connectivity. This section can not be repeated and can not be optional.

Subsections

Section keywords

None

Back to the CP2K homepage or the latest version of this manual