mdpy.constraint.CharmmVDWConstraint#

class mdpy.constraint.CharmmVDWConstraint(parameter_dict: dict, cutoff_radius=<Quantity object: [1.2e-09] m>)[source]#
__init__(parameter_dict: dict, cutoff_radius=<Quantity object: [1.2e-09] m>) → None[source]#

Methods

__init__(parameter_dict[, cutoff_radius])

bind_ensemble(ensemble)

set_cutoff_radius(val)

sort_attributes()

update()

Attributes

constraint_id

cutoff_radius

forces

parent_ensemble

potential_energy