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: string[4]

Usage: ATOMS {KIND1} {KIND2} {KIND3} {KIND4}

Defines the atomic kinds involved in the opbend. [Edit on GitHub]

K: real = [rad^-2*hartree]

Usage: K {real}

Defines the force constant of the potential [Edit on GitHub]

KIND: enum = HARMONIC 

Usage: KIND HARMONIC

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

Define the kind of out of plane bend potential [Edit on GitHub]

PHI0: real = [rad]

Usage: PHI0 {real}

Defines the phase of the potential. [Edit on GitHub]