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CP2K version 2.3 (Revision 12341)
Section MERGE_MOLECULES
Enables the creation of connecting bridges (bonds, angles, torsions, impropers) between the two or more molecules defined with independent connectivity.
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CP2K_INPUT
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FORCE_EVAL
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SUBSYS
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TOPOLOGY
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MOL_SET
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MERGE_MOLECULES
This section cannot be repeated and cannot be optional.
Subsections
ANGLES
BONDS
IMPROPERS
TORSIONS
Keywords
none
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(Last update: 3.9.2012)