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CP2K version 4.1 (Revision svn:17462)
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
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FORCE_EVAL
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SUBSYS
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TOPOLOGY
/
MOL_SET
/
MERGE_MOLECULES
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Subsections
ANGLES
BONDS
IMPROPERS
TORSIONS
Keywords
none
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(Last update: 5.10.2016)