S2_RESTRAINT

Use S2 in a re/constraint (OT only) [Edit on GitHub]

Keywords

• FUNCTIONAL_FORM

• STRENGTH

• TARGET

Keyword descriptions

FUNCTIONAL_FORM: enum = RESTRAINT

Usage: FUNCTIONAL_FORM RESTRAINT

Valid values:

• RESTRAINT Harmonic potential: s*(q-t)**2

• CONSTRAINT Constraint form: s*(q-t)

Specifies the functional form of the term added [Edit on GitHub]

STRENGTH: real = 1.00000000E-001

Usage: STRENGTH {real}

force constant of the restraint [Edit on GitHub]

TARGET: real = 1.00000000E+000

Usage: TARGET {real}

target value of the restraint [Edit on GitHub]