meld.system.scalers.NonLinearScaler

class meld.system.scalers.NonLinearScaler(alpha_min, alpha_max, factor, strength_at_alpha_min=1.0, strength_at_alpha_max=0.001)[source]

Bases: RestraintScaler

A restraint scaler with a non-linear shape

__init__(alpha_min, alpha_max, factor, strength_at_alpha_min=1.0, strength_at_alpha_max=0.001)[source]

Intialize a NonLinearScaler

Parameters

  • alpha_min (float) – minimum alpha value

  • alpha_max (float) – maximum alpha value

  • factor (float) – controls the non-linear shape, must be >= 0

  • strength_at_alpha_min (float) – strength when alpha <= alpha_min

  • strength_at_alpha_max (float) – strength when alpha >= alpha_max

Methods

__init__(alpha_min, alpha_max, factor[, ...])

Intialize a NonLinearScaler