OpenMM's atom information format. More...

#include <OpenMM_structs.h>

Public Attributes
int	type

int	Vsite_particleindecies [2]

double	Vsite_weights [2]

char *	pdb

char	symbol

double	initPosInNm [3]

double	posInNm [3]

double	velocityInNmperPs [3]

double	mass

double	radius

double	sigma_LJ_12_6

double	epsilon_LJ_12_6

double	force [3]

double	energyInKJ

double	stretching_energy

int	ext_force_model

double	ext_force_constants [3]

std::string	class_label

int	vsite_atoms [2]

double	vsite_weights [2]

double	epsilonWCA = 0

double	sigmaWCA = 0

Detailed Description

OpenMM's atom information format.

Member Data Documentation

◆ class_label

std::string MyAtomInfo::class_label

◆ energyInKJ

double MyAtomInfo::energyInKJ

◆ epsilon_LJ_12_6

double MyAtomInfo::epsilon_LJ_12_6

◆ epsilonWCA

double MyAtomInfo::epsilonWCA = 0

◆ ext_force_constants

double MyAtomInfo::ext_force_constants[3]

◆ ext_force_model

int MyAtomInfo::ext_force_model

◆ force

double MyAtomInfo::force[3]

◆ initPosInNm

double MyAtomInfo::initPosInNm[3]

◆ mass

double MyAtomInfo::mass

◆ pdb

char* MyAtomInfo::pdb

◆ posInNm

double MyAtomInfo::posInNm[3]

◆ radius

double MyAtomInfo::radius

◆ sigma_LJ_12_6

double MyAtomInfo::sigma_LJ_12_6

◆ sigmaWCA

double MyAtomInfo::sigmaWCA = 0

◆ stretching_energy

double MyAtomInfo::stretching_energy

◆ symbol

char MyAtomInfo::symbol

◆ type

int MyAtomInfo::type

◆ velocityInNmperPs

double MyAtomInfo::velocityInNmperPs[3]

◆ vsite_atoms

int MyAtomInfo::vsite_atoms[2]

◆ Vsite_particleindecies

int MyAtomInfo::Vsite_particleindecies[2]

◆ Vsite_weights

double MyAtomInfo::Vsite_weights[2]

◆ vsite_weights

double MyAtomInfo::vsite_weights[2]

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

/Users/ali/Documents/Dr Ejtehadi/Programming/Latest Tiam/Ali/Membrane_OBJ/include/OpenMM_structs.h

Public Attributes