NAMD
Public Attributes | List of all members
AmberParm7Reader::Ambertoppar Struct Reference

#include <ReadAmberParm.h>

Public Attributes

bool HasData = false
 
bool IsCharmmFF
 
string build_time
 
string version_stamp
 
string ititl
 
int Natom
 
int Ntypes
 
int Nbonh
 
int Mbona
 
int Ntheth
 
int Mtheta
 
int Nphih
 
int Mphia
 
int Nhparm
 
int Nparm
 
int Nnb
 
int Nres
 
int Nbona
 
int Ntheta
 
int Nphia
 
int Numbnd
 
int Numang
 
int Nptra
 
int Natyp
 
int Nphb
 
int Ifpert
 
int Nbper
 
int Ngper
 
int Ndper
 
int Mbper
 
int Mgper
 
int Mdper
 
int Ifbox
 
int Nmxrs
 
int Ifcap
 
int Numextra
 
int Ncopy
 
vector< string > AtomNames
 
vector< _REAL > Charges
 
vector< _REAL > Masses
 
vector< int > AtomNumbers
 
vector< int > Iac
 
vector< int > Iblo
 
vector< int > Cno
 
vector< string > ResNames
 
vector< int > Ipres
 
vector< _REAL > Rk
 
vector< _REAL > Req
 
vector< _REAL > Tk
 
vector< _REAL > Teq
 
vector< _REAL > Pk
 
vector< _REAL > Pn
 
vector< _REAL > Phase
 
vector< _REAL > SceeScaleFactor
 
vector< _REAL > ScnbScaleFactor
 
vector< _REAL > Solty
 
vector< _REAL > Cn1
 
vector< _REAL > Cn2
 
vector< int > BondHAt1
 
vector< int > BondHAt2
 
vector< int > BondHNum
 
vector< int > BondAt1
 
vector< int > BondAt2
 
vector< int > BondNum
 
vector< int > AngleHAt1
 
vector< int > AngleHAt2
 
vector< int > AngleHAt3
 
vector< int > AngleHNum
 
vector< int > AngleAt1
 
vector< int > AngleAt2
 
vector< int > AngleAt3
 
vector< int > AngleNum
 
vector< int > DihHAt1
 
vector< int > DihHAt2
 
vector< int > DihHAt3
 
vector< int > DihHAt4
 
vector< int > DihHNum
 
vector< int > DihAt1
 
vector< int > DihAt2
 
vector< int > DihAt3
 
vector< int > DihAt4
 
vector< int > DihNum
 
vector< int > ExclAt
 
vector< _REAL > HB12
 
vector< _REAL > HB10
 
vector< string > AtomSym
 
vector< string > AtomTree
 
vector< int > TreeJoin
 
vector< int > AtomRes
 
int Iptres
 
int Nspm
 
int Nspsol
 
vector< int > AtomsPerMolecule
 
vector< _REAL > BoxDimensions
 
vector< int > CapInfo
 
vector< _REAL > CapInfo2
 
vector< string > RadiusSet
 
vector< _REAL > Radii
 
vector< _REAL > Screen
 
int Ipol
 
vector< _REAL > Polarizability
 
int Nub
 
int Nubtypes
 
vector< int > UreyBradleyAt1
 
vector< int > UreyBradleyAt2
 
vector< int > UreyBradleyNum
 
vector< _REAL > UreyBradleyForceConstants
 
vector< _REAL > UreyBradleyEquilValues
 
int Nimphi
 
vector< int > ImproperAt1
 
vector< int > ImproperAt2
 
vector< int > ImproperAt3
 
vector< int > ImproperAt4
 
vector< int > ImproperNum
 
int NimprTypes
 
vector< _REAL > ImproperForceConstants
 
vector< _REAL > ImproperPhases
 
vector< _REAL > LJ14ACoefficients
 
vector< _REAL > LJ14BCoefficients
 
bool HasCMAP
 
int CMAPTermCount
 
int CMAPTypeCount
 
vector< int > CMAPResolution
 
vector< vector< _REAL > > CMAPParameter
 
vector< int > CMAPIndex
 

Detailed Description

Definition at line 91 of file ReadAmberParm.h.

Member Data Documentation

◆ AngleAt1

vector<int> AmberParm7Reader::Ambertoppar::AngleAt1

Definition at line 162 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleAt2

vector<int> AmberParm7Reader::Ambertoppar::AngleAt2

Definition at line 163 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleAt3

vector<int> AmberParm7Reader::Ambertoppar::AngleAt3

Definition at line 164 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleHAt1

vector<int> AmberParm7Reader::Ambertoppar::AngleHAt1

Definition at line 158 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleHAt2

vector<int> AmberParm7Reader::Ambertoppar::AngleHAt2

Definition at line 159 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleHAt3

vector<int> AmberParm7Reader::Ambertoppar::AngleHAt3

Definition at line 160 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleHNum

vector<int> AmberParm7Reader::Ambertoppar::AngleHNum

Definition at line 161 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AngleNum

vector<int> AmberParm7Reader::Ambertoppar::AngleNum

Definition at line 165 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ AtomNames

vector<string> AmberParm7Reader::Ambertoppar::AtomNames

Definition at line 131 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), PDB::PDB(), and AmberParm7Reader::read_amber_parm_stage2().

◆ AtomNumbers

vector<int> AmberParm7Reader::Ambertoppar::AtomNumbers

Definition at line 134 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ AtomRes

vector<int> AmberParm7Reader::Ambertoppar::AtomRes

Definition at line 182 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), PDB::PDB(), and AmberParm7Reader::read_amber_parm_stage2().

◆ AtomsPerMolecule

vector<int> AmberParm7Reader::Ambertoppar::AtomsPerMolecule

Definition at line 187 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ AtomSym

vector<string> AmberParm7Reader::Ambertoppar::AtomSym

Definition at line 179 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ AtomTree

vector<string> AmberParm7Reader::Ambertoppar::AtomTree

Definition at line 180 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ BondAt1

vector<int> AmberParm7Reader::Ambertoppar::BondAt1

Definition at line 155 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BondAt2

vector<int> AmberParm7Reader::Ambertoppar::BondAt2

Definition at line 156 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BondHAt1

vector<int> AmberParm7Reader::Ambertoppar::BondHAt1

Definition at line 152 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BondHAt2

vector<int> AmberParm7Reader::Ambertoppar::BondHAt2

Definition at line 153 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BondHNum

vector<int> AmberParm7Reader::Ambertoppar::BondHNum

Definition at line 154 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BondNum

vector<int> AmberParm7Reader::Ambertoppar::BondNum

Definition at line 157 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ BoxDimensions

vector<_REAL> AmberParm7Reader::Ambertoppar::BoxDimensions

Definition at line 188 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ build_time

string AmberParm7Reader::Ambertoppar::build_time

Definition at line 95 of file ReadAmberParm.h.

◆ CapInfo

vector<int> AmberParm7Reader::Ambertoppar::CapInfo

Definition at line 189 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ CapInfo2

vector<_REAL> AmberParm7Reader::Ambertoppar::CapInfo2

Definition at line 190 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Charges

vector<_REAL> AmberParm7Reader::Ambertoppar::Charges

Definition at line 132 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ CMAPIndex

vector<int> AmberParm7Reader::Ambertoppar::CMAPIndex

Definition at line 226 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ CMAPParameter

vector<vector<_REAL> > AmberParm7Reader::Ambertoppar::CMAPParameter

Definition at line 225 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ CMAPResolution

vector<int> AmberParm7Reader::Ambertoppar::CMAPResolution

Definition at line 224 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ CMAPTermCount

int AmberParm7Reader::Ambertoppar::CMAPTermCount

Definition at line 222 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ CMAPTypeCount

int AmberParm7Reader::Ambertoppar::CMAPTypeCount

Definition at line 223 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Cn1

vector<_REAL> AmberParm7Reader::Ambertoppar::Cn1

Definition at line 150 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Cn2

vector<_REAL> AmberParm7Reader::Ambertoppar::Cn2

Definition at line 151 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Cno

vector<int> AmberParm7Reader::Ambertoppar::Cno

Definition at line 137 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ DihAt1

vector<int> AmberParm7Reader::Ambertoppar::DihAt1

Definition at line 171 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihAt2

vector<int> AmberParm7Reader::Ambertoppar::DihAt2

Definition at line 172 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihAt3

vector<int> AmberParm7Reader::Ambertoppar::DihAt3

Definition at line 173 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihAt4

vector<int> AmberParm7Reader::Ambertoppar::DihAt4

Definition at line 174 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihHAt1

vector<int> AmberParm7Reader::Ambertoppar::DihHAt1

Definition at line 166 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihHAt2

vector<int> AmberParm7Reader::Ambertoppar::DihHAt2

Definition at line 167 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihHAt3

vector<int> AmberParm7Reader::Ambertoppar::DihHAt3

Definition at line 168 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihHAt4

vector<int> AmberParm7Reader::Ambertoppar::DihHAt4

Definition at line 169 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihHNum

vector<int> AmberParm7Reader::Ambertoppar::DihHNum

Definition at line 170 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ DihNum

vector<int> AmberParm7Reader::Ambertoppar::DihNum

Definition at line 175 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ ExclAt

vector<int> AmberParm7Reader::Ambertoppar::ExclAt

Definition at line 176 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ HasCMAP

bool AmberParm7Reader::Ambertoppar::HasCMAP

Definition at line 221 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ HasData

bool AmberParm7Reader::Ambertoppar::HasData = false

Definition at line 92 of file ReadAmberParm.h.

Referenced by NamdState::loadStructure(), Parameters::read_parm(), and AmberParm7Reader::readparm().

◆ HB10

vector<_REAL> AmberParm7Reader::Ambertoppar::HB10

Definition at line 178 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ HB12

vector<_REAL> AmberParm7Reader::Ambertoppar::HB12

Definition at line 177 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Iac

vector<int> AmberParm7Reader::Ambertoppar::Iac

Definition at line 135 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Iblo

vector<int> AmberParm7Reader::Ambertoppar::Iblo

Definition at line 136 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Ifbox

int AmberParm7Reader::Ambertoppar::Ifbox

Definition at line 125 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Ifcap

int AmberParm7Reader::Ambertoppar::Ifcap

Definition at line 127 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Ifpert

int AmberParm7Reader::Ambertoppar::Ifpert

Definition at line 118 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ ImproperAt1

vector<int> AmberParm7Reader::Ambertoppar::ImproperAt1

Definition at line 208 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperAt2

vector<int> AmberParm7Reader::Ambertoppar::ImproperAt2

Definition at line 209 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperAt3

vector<int> AmberParm7Reader::Ambertoppar::ImproperAt3

Definition at line 210 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperAt4

vector<int> AmberParm7Reader::Ambertoppar::ImproperAt4

Definition at line 211 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperForceConstants

vector<_REAL> AmberParm7Reader::Ambertoppar::ImproperForceConstants

Definition at line 214 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperNum

vector<int> AmberParm7Reader::Ambertoppar::ImproperNum

Definition at line 212 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ ImproperPhases

vector<_REAL> AmberParm7Reader::Ambertoppar::ImproperPhases

Definition at line 215 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Ipol

int AmberParm7Reader::Ambertoppar::Ipol

Definition at line 195 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Ipres

vector<int> AmberParm7Reader::Ambertoppar::Ipres

Definition at line 139 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Iptres

int AmberParm7Reader::Ambertoppar::Iptres

Definition at line 184 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ IsCharmmFF

bool AmberParm7Reader::Ambertoppar::IsCharmmFF

Definition at line 93 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ ititl

string AmberParm7Reader::Ambertoppar::ititl

Definition at line 97 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ LJ14ACoefficients

vector<_REAL> AmberParm7Reader::Ambertoppar::LJ14ACoefficients

Definition at line 217 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ LJ14BCoefficients

vector<_REAL> AmberParm7Reader::Ambertoppar::LJ14BCoefficients

Definition at line 218 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Masses

vector<_REAL> AmberParm7Reader::Ambertoppar::Masses

Definition at line 133 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Mbona

int AmberParm7Reader::Ambertoppar::Mbona

Definition at line 101 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Mbper

int AmberParm7Reader::Ambertoppar::Mbper

Definition at line 122 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Mdper

int AmberParm7Reader::Ambertoppar::Mdper

Definition at line 124 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Mgper

int AmberParm7Reader::Ambertoppar::Mgper

Definition at line 123 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Mphia

int AmberParm7Reader::Ambertoppar::Mphia

Definition at line 105 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Mtheta

int AmberParm7Reader::Ambertoppar::Mtheta

Definition at line 103 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Natom

int AmberParm7Reader::Ambertoppar::Natom

Definition at line 98 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), PDB::PDB(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Natyp

int AmberParm7Reader::Ambertoppar::Natyp

Definition at line 116 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Nbona

int AmberParm7Reader::Ambertoppar::Nbona

Definition at line 110 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nbonh

int AmberParm7Reader::Ambertoppar::Nbonh

Definition at line 100 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nbper

int AmberParm7Reader::Ambertoppar::Nbper

Definition at line 119 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Ncopy

int AmberParm7Reader::Ambertoppar::Ncopy

Definition at line 129 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Ndper

int AmberParm7Reader::Ambertoppar::Ndper

Definition at line 121 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Ngper

int AmberParm7Reader::Ambertoppar::Ngper

Definition at line 120 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Nhparm

int AmberParm7Reader::Ambertoppar::Nhparm

Definition at line 106 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Nimphi

int AmberParm7Reader::Ambertoppar::Nimphi

Definition at line 207 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ NimprTypes

int AmberParm7Reader::Ambertoppar::NimprTypes

Definition at line 213 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Nmxrs

int AmberParm7Reader::Ambertoppar::Nmxrs

Definition at line 126 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Nnb

int AmberParm7Reader::Ambertoppar::Nnb

Definition at line 108 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nparm

int AmberParm7Reader::Ambertoppar::Nparm

Definition at line 107 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Nphb

int AmberParm7Reader::Ambertoppar::Nphb

Definition at line 117 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nphia

int AmberParm7Reader::Ambertoppar::Nphia

Definition at line 112 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nphih

int AmberParm7Reader::Ambertoppar::Nphih

Definition at line 104 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nptra

int AmberParm7Reader::Ambertoppar::Nptra

Definition at line 115 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Nres

int AmberParm7Reader::Ambertoppar::Nres

Definition at line 109 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Nspm

int AmberParm7Reader::Ambertoppar::Nspm

Definition at line 185 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Nspsol

int AmberParm7Reader::Ambertoppar::Nspsol

Definition at line 186 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Ntheta

int AmberParm7Reader::Ambertoppar::Ntheta

Definition at line 111 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Ntheth

int AmberParm7Reader::Ambertoppar::Ntheth

Definition at line 102 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Ntypes

int AmberParm7Reader::Ambertoppar::Ntypes

Definition at line 99 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Nub

int AmberParm7Reader::Ambertoppar::Nub

Definition at line 199 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Nubtypes

int AmberParm7Reader::Ambertoppar::Nubtypes

Definition at line 200 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Numang

int AmberParm7Reader::Ambertoppar::Numang

Definition at line 114 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Numbnd

int AmberParm7Reader::Ambertoppar::Numbnd

Definition at line 113 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Numextra

int AmberParm7Reader::Ambertoppar::Numextra

Definition at line 128 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Phase

vector<_REAL> AmberParm7Reader::Ambertoppar::Phase

Definition at line 146 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Pk

vector<_REAL> AmberParm7Reader::Ambertoppar::Pk

Definition at line 144 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Pn

vector<_REAL> AmberParm7Reader::Ambertoppar::Pn

Definition at line 145 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Polarizability

vector<_REAL> AmberParm7Reader::Ambertoppar::Polarizability

Definition at line 196 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ Radii

vector<_REAL> AmberParm7Reader::Ambertoppar::Radii

Definition at line 192 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ RadiusSet

vector<string> AmberParm7Reader::Ambertoppar::RadiusSet

Definition at line 191 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Req

vector<_REAL> AmberParm7Reader::Ambertoppar::Req

Definition at line 141 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ ResNames

vector<string> AmberParm7Reader::Ambertoppar::ResNames

Definition at line 138 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), PDB::PDB(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Rk

vector<_REAL> AmberParm7Reader::Ambertoppar::Rk

Definition at line 140 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ SceeScaleFactor

vector<_REAL> AmberParm7Reader::Ambertoppar::SceeScaleFactor

Definition at line 147 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ ScnbScaleFactor

vector<_REAL> AmberParm7Reader::Ambertoppar::ScnbScaleFactor

Definition at line 148 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Screen

vector<_REAL> AmberParm7Reader::Ambertoppar::Screen

Definition at line 193 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), and AmberParm7Reader::read_amber_parm_stage2().

◆ Solty

vector<_REAL> AmberParm7Reader::Ambertoppar::Solty

Definition at line 149 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ Teq

vector<_REAL> AmberParm7Reader::Ambertoppar::Teq

Definition at line 143 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ Tk

vector<_REAL> AmberParm7Reader::Ambertoppar::Tk

Definition at line 142 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer(), AmberParm7Reader::read_amber_parm_stage2(), and Parameters::read_parm().

◆ TreeJoin

vector<int> AmberParm7Reader::Ambertoppar::TreeJoin

Definition at line 181 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::parse_pointer().

◆ UreyBradleyAt1

vector<int> AmberParm7Reader::Ambertoppar::UreyBradleyAt1

Definition at line 201 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ UreyBradleyAt2

vector<int> AmberParm7Reader::Ambertoppar::UreyBradleyAt2

Definition at line 202 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ UreyBradleyEquilValues

vector<_REAL> AmberParm7Reader::Ambertoppar::UreyBradleyEquilValues

Definition at line 205 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ UreyBradleyForceConstants

vector<_REAL> AmberParm7Reader::Ambertoppar::UreyBradleyForceConstants

Definition at line 204 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ UreyBradleyNum

vector<int> AmberParm7Reader::Ambertoppar::UreyBradleyNum

Definition at line 203 of file ReadAmberParm.h.

Referenced by AmberParm7Reader::read_amber_parm_stage2().

◆ version_stamp

string AmberParm7Reader::Ambertoppar::version_stamp

Definition at line 96 of file ReadAmberParm.h.

The documentation for this struct was generated from the following file:
Generated by   doxygen 1.8.14