meld.system.restraints.YZCartesianRestraint

class meld.system.restraints.YZCartesianRestraint(system, scaler, ramp, atom_index, y, z, delta, force_const)[source]

Bases: meld.system.restraints.NonSelectableRestraint

Cartesian restraint on yz coordinates only

__init__(system, scaler, ramp, atom_index, y, z, delta, force_const)[source]

Initialize a YZCartesianRestraint

Parameters
  • system (ISystem) – the system this restraint belongs to

  • scaler (Optional[RestraintScaler]) – scale the force with alpha

  • ramp (Optional[TimeRamp]) – scale the force over time

  • atom_index (AtomIndex) – the atom to restrain

  • x – equilibrium x-coordinate, in nm

  • y (Quantity) – equilibrium y-coordinate, in nm

  • delta (Quantity) – energy is zero within delta, in nm

  • force_const (Quantity) – force constant in \(kJ/mol/nm^2\)

Methods

__init__(system, scaler, ramp, atom_index, ...)

Initialize a YZCartesianRestraint