S2_RESTRAINT

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

Keywords

• FUNCTIONAL_FORM

• STRENGTH

• TARGET

Keyword descriptions

FUNCTIONAL_FORM

Type: enum
Default: RESTRAINT
Usage: FUNCTIONAL_FORM RESTRAINT

Description: Specifies the functional form of the term added

Valid values:

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

• CONSTRAINT Constraint form: s*(q-t)

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STRENGTH

Type: real
Default: 1.00000000E-001
Usage: STRENGTH {real}

Description: force constant of the restraint

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TARGET

Type: real
Default: 1.00000000E+000
Usage: TARGET {real}

Description: target value of the restraint

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