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
	special case bond order for amide C-N bonds.

Variable Documentation

amideBondOrder

const double ForceFields::UFF::Params::amideBondOrder

Initial value:

=
    1.41

special case bond order for amide C-N bonds.

Definition at line 86 of file UFF/Params.h.

G

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

bond force constant prefactor

Definition at line 85 of file UFF/Params.h.

lambda

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

scaling factor for rBO correction

Definition at line 84 of file UFF/Params.h.