apoCHARMM 1.0.0
High-performance molecular dynamics simulations on GPUs
 
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Static Public Attributes | List of all members
apocharmm.enums.DistanceRestraintCondition Class Reference

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Inherits IntEnum.

Static Public Attributes

int NONE = 0
 Applies no one-sided activation gate.
 
int POSITIVE = 1
 Selects exact positive-side activation at D >= 0
 
int NEGATIVE = -1
 Selects exact negative-side activation at D <= 0
 

Detailed Description

Selects the one-sided activation mode for a distance-restraint term.

NONE applies no one-sided activation gate. POSITIVE is active exactly when the term deviation satisfies D >= 0. NEGATIVE is active exactly when the term deviation satisfies D <= 0.