ForceFields::UFF::Params Namespace Reference

Variables
const double	lambda = 0.1332
	scaling factor for rBO correction
const double	G = 332.06
	bond force constant prefactor
const double	amideBondOrder = 1.41
	special case bond order for amide C-N bonds.

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Variable Documentation

const double ForceFields::UFF::Params::amideBondOrder = 1.41

special case bond order for amide C-N bonds.

Definition at line 35 of file Params.h.

const double ForceFields::UFF::Params::G = 332.06

bond force constant prefactor

Definition at line 34 of file Params.h.

const double ForceFields::UFF::Params::lambda = 0.1332

scaling factor for rBO correction

Definition at line 33 of file Params.h.