atype Struct Reference

#include <parameter_sets.h>

Collaboration diagram for atype:

List of all members.

Public Attributes
int	n
char *	N
char *	NT
double	m
char *	desc
int	nb
double *	bo
int	nlp
double	LJD_612
double	LJZ_612
double	LJD_1012
double	LJZ_1012
int	nch
int *	ch
int	nR
char **	RD
double *	R
int	nSC
double *	SC
int	nBT
int *	iBT
bond_type **	BT
int	nHBT
int *	iHBT
bond_type **	HBT
int	nNBT
int *	iNBT
bond_type **	NBT
int	nANT
int *	iANT
angle_type **	ANT
int	nHANT
int *	iHANT
angle_type **	HANT
int	nNANT
int *	iNANT
angle_type **	NANT
int	nTRT
int *	iTRT
torsion_type **	TRT
int	nHTRT
int *	iHTRT
torsion_type **	HTRT
int	nNTRT
int *	iNTRT
torsion_type **	NTRT
int	nVP
void *	VP

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Detailed Description

Definition at line 64 of file parameter_sets.h.

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Member Data Documentation

angle_type** atype::ANT

Definition at line 93 of file parameter_sets.h.

double* atype::bo

Definition at line 71 of file parameter_sets.h.

Referenced by initialize_atype(), and load_atypes().

bond_type** atype::BT

Definition at line 84 of file parameter_sets.h.

int* atype::ch

Definition at line 75 of file parameter_sets.h.

char* atype::desc

Definition at line 69 of file parameter_sets.h.

Referenced by load_atypes().

angle_type** atype::HANT

Definition at line 96 of file parameter_sets.h.

bond_type** atype::HBT

Definition at line 87 of file parameter_sets.h.

torsion_type** atype::HTRT

Definition at line 105 of file parameter_sets.h.

int* atype::iANT

Definition at line 92 of file parameter_sets.h.

int* atype::iBT

Definition at line 83 of file parameter_sets.h.

int* atype::iHANT

Definition at line 95 of file parameter_sets.h.

int* atype::iHBT

Definition at line 86 of file parameter_sets.h.

int* atype::iHTRT

Definition at line 104 of file parameter_sets.h.

int* atype::iNANT

Definition at line 98 of file parameter_sets.h.

int* atype::iNBT

Definition at line 89 of file parameter_sets.h.

int* atype::iNTRT

Definition at line 107 of file parameter_sets.h.

int* atype::iTRT

Definition at line 101 of file parameter_sets.h.

double atype::LJD_1012

Definition at line 73 of file parameter_sets.h.

double atype::LJD_612

Definition at line 73 of file parameter_sets.h.

double atype::LJZ_1012

Definition at line 73 of file parameter_sets.h.

double atype::LJZ_612

Definition at line 73 of file parameter_sets.h.

double atype::m

Definition at line 68 of file parameter_sets.h.

Referenced by ATYPE_init(), get_assembly_molecule_COM(), get_ensemble_COM(), get_molecule_COM(), get_residue_COM(), initialize_atype(), load_dlg_mol(), and read_prepres().

int atype::n

Definition at line 65 of file parameter_sets.h.

Referenced by ATYPE_init(), and initialize_atype().

char* atype::N

Definition at line 66 of file parameter_sets.h.

Referenced by load_atypes(), and parse_amber_prmtop().

int atype::nANT

Definition at line 91 of file parameter_sets.h.

angle_type** atype::NANT

Definition at line 99 of file parameter_sets.h.

int atype::nb

Definition at line 70 of file parameter_sets.h.

Referenced by ATYPE_init(), initialize_atype(), and load_atypes().

int atype::nBT

Definition at line 82 of file parameter_sets.h.

bond_type** atype::NBT

Definition at line 90 of file parameter_sets.h.

int atype::nch

Definition at line 74 of file parameter_sets.h.

int atype::nHANT

Definition at line 94 of file parameter_sets.h.

int atype::nHBT

Definition at line 85 of file parameter_sets.h.

int atype::nHTRT

Definition at line 103 of file parameter_sets.h.

int atype::nlp

Definition at line 72 of file parameter_sets.h.

Referenced by initialize_atype().

int atype::nNANT

Definition at line 97 of file parameter_sets.h.

int atype::nNBT

Definition at line 88 of file parameter_sets.h.

int atype::nNTRT

Definition at line 106 of file parameter_sets.h.

int atype::nR

Definition at line 76 of file parameter_sets.h.

Referenced by deallocateAtype().

int atype::nSC

Definition at line 79 of file parameter_sets.h.

char* atype::NT

Definition at line 67 of file parameter_sets.h.

Referenced by load_atypes(), and load_dlg_mol().

int atype::nTRT

Definition at line 100 of file parameter_sets.h.

torsion_type** atype::NTRT

Definition at line 108 of file parameter_sets.h.

int atype::nVP

Definition at line 110 of file parameter_sets.h.

double* atype::R

Definition at line 78 of file parameter_sets.h.

char** atype::RD

Definition at line 77 of file parameter_sets.h.

double* atype::SC

Definition at line 80 of file parameter_sets.h.

torsion_type** atype::TRT

Definition at line 102 of file parameter_sets.h.

void* atype::VP

Definition at line 111 of file parameter_sets.h.

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

• inc/parameter_sets.h