OPBEND

Section can be repeated.

Specifies the out of plane bend potential of the MM system. (Only defined for atom quadruples which are also defined as an improper pattern in the topology.) [Edit on GitHub]

Keywords

• ATOMS

• K

• KIND

• PHI0

Keyword descriptions

ATOMS

Type: string[4]
Usage: ATOMS {KIND1} {KIND2} {KIND3} {KIND4}

Description: Defines the atomic kinds involved in the opbend.

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K

Type: real
Default: [rad^-2*hartree]
Usage: K {real}

Description: Defines the force constant of the potential

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KIND

Type: enum
Default: HARMONIC
Usage: KIND HARMONIC

Description: Define the kind of out of plane bend potential

Valid values:

• HARMONIC Functional Form (HARMONIC): 0.5 * K * [ PHI - PHI0 ]**2

• MM2 Functional Form (MM2|MM3|MM4): K * [ PHI - PHI0 ]**2

• MM3 Functional Form (MM2|MM3|MM4): K * [ PHI - PHI0 ]**2

• MM4 Functional Form (MM2|MM3|MM4): K * [ PHI - PHI0 ]**2

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PHI0

Type: real
Default: [rad]
Usage: PHI0 {real}

Description: Defines the phase of the potential.

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