mstk.ommhelper.force.CLPolCoulTT

mstk.ommhelper.force.CLPolCoulTT(system, donors, b=45.0)

Apply Tang-Toennies damping for the Coulomb interactions between selected H-bond donors and Drude dipoles.

Parameters:

• system (mm.System) –

• donors (list of int) – Indexes of particles served as H-bond donors

• b (float, optional) – b in unit of /nm

Returns:

force

Return type:

mm.CustomNonbondedForce