Unguarded struct to handle 1:4 attenuated interactions that are not explicitly handled by the short-ranged non-bond scaling parameters of some dihedral linking the atoms. More...

#include <atomgraph_refinement.h>

Public Attributes
int	atom_i
	The first atom in the pair (could have been atom I in some dihedral)

int	atom_j
	The first atom in the pair (could have been atom L in some dihedral)

double	lj_scaling
	Scaling factor for van-der Waals interactions.

double	elec_scaling
	Scaling factor for electrostatic interactions.

Detailed Description

Unguarded struct to handle 1:4 attenuated interactions that are not explicitly handled by the short-ranged non-bond scaling parameters of some dihedral linking the atoms.

The documentation for this struct was generated from the following file:

src/Topology/atomgraph_refinement.h

Public Attributes

Detailed Description