amber_prmtop Struct Reference

#include <amber_prmtop_structs.h>

Collaboration diagram for amber_prmtop:

List of all members.

Public Attributes
char *	FN
char *	VERSION
int	nS
char **	SN
amber_prmtop_section *	S
int	nSS
int *	SS
int	nES
int *	ES
int	nFF
int *	FORMATS
char **	FLAGS
int	ITITL
int	POINTERS
int	NATOM
int	NTYPES
int	NBONH
int	MBONA
int	NTHETH
int	MTHETA
int	NPHIH
int	MPHIA
int	NHPARM
int	NPARM
int	NEXT
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	IGRAPH
int	CHRG
int	AMASS
int	IAC
int	NUMEX
int	ICO
int	LABRES
int	IRES
int	IPRES
int	RK
int	REQ
int	TK
int	TEQ
int	PK
int	PN
int	PHASE
int	SOLTY
int	CN1
int	CN2
int	IBH
int	JBH
int	ICBH
int	IB
int	JB
int	ICB
int	ITH
int	JTH
int	KTH
int	ICTH
int	IT
int	JT
int	KT
int	ICT
int	IPH
int	JPH
int	KPH
int	LPH
int	ICPH
int	IP
int	JP
int	KP
int	LP
int	ICP
int	NATEX
int	ASOL
int	BSOL
int	HBCUT
int	ISYMBL
int	ITREE
int	JOIN
int	IROTAT
int	IPTRES
int	NSPM
int	NSPSOL
int	NSP
int	BETA
int	BOX
int	NATCAP
int	CUTCAP
int	XCAP
int	YCAP
int	ZCAP
int	IBPER
int	JBPER
int	ICBPER
int	IPTER
int	JTPER
int	KTPER
int	ICTPER
int	IPPER
int	JPPER
int	KPPER
int	LPPER
int	ICPPER
int	LRESPER
int	IGRPER
int	ISMPER
int	ALMPER
int	IAPER
int	IACPER
int	CGPER
int	ATPOL
int	ATPOL1

---

Detailed Description

Definition at line 67 of file amber_prmtop_structs.h.

---

Member Data Documentation

int amber_prmtop::ALMPER

Definition at line 306 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::AMASS

Definition at line 121 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ASOL

Definition at line 228 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ATPOL

Definition at line 316 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ATPOL1

Definition at line 319 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::BETA

Definition at line 261 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::BOX

Definition at line 262 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::BSOL

Definition at line 234 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::CGPER

Definition at line 313 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::CHRG

Definition at line 118 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::CN1

Definition at line 166 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::CN2

Definition at line 172 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::CUTCAP

Definition at line 267 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int* amber_prmtop::ES

Definition at line 76 of file amber_prmtop_structs.h.

char** amber_prmtop::FLAGS

Definition at line 78 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

char* amber_prmtop::FN

Definition at line 68 of file amber_prmtop_structs.h.

Referenced by read_amber_prmtop_asis().

int * amber_prmtop::FORMATS

Definition at line 77 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::HBCUT

Definition at line 237 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IAC

Definition at line 123 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IACPER

Definition at line 310 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IAPER

Definition at line 308 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IB

Definition at line 187 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IBH

Definition at line 183 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IBPER

Definition at line 276 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICB

Definition at line 189 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICBH

Definition at line 185 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICBPER

Definition at line 279 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICO

Definition at line 129 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICP

Definition at line 215 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICPH

Definition at line 207 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICPPER

Definition at line 296 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICT

Definition at line 200 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICTH

Definition at line 194 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ICTPER

Definition at line 287 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IFBOX

Definition at line 112 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::IFCAP

Definition at line 114 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::IFPERT

Definition at line 105 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::IGRAPH

Definition at line 116 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IGRPER

Definition at line 302 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IP

Definition at line 211 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IPH

Definition at line 203 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IPPER

Definition at line 291 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IPRES

Definition at line 147 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IPTER

Definition at line 283 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IPTRES

Definition at line 253 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IRES

Definition at line 143 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IROTAT

Definition at line 248 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ISMPER

Definition at line 304 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ISYMBL

Definition at line 239 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::IT

Definition at line 197 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ITH

Definition at line 191 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ITITL

Definition at line 80 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ITREE

Definition at line 241 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JB

Definition at line 188 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JBH

Definition at line 184 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JBPER

Definition at line 277 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JOIN

Definition at line 245 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JP

Definition at line 212 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JPH

Definition at line 204 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JPPER

Definition at line 292 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JT

Definition at line 198 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JTH

Definition at line 192 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::JTPER

Definition at line 284 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KP

Definition at line 213 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KPH

Definition at line 205 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KPPER

Definition at line 293 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KT

Definition at line 199 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KTH

Definition at line 193 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::KTPER

Definition at line 285 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::LABRES

Definition at line 140 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::LP

Definition at line 214 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::LPH

Definition at line 206 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::LPPER

Definition at line 294 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::LRESPER

Definition at line 300 of file amber_prmtop_structs.h.

int amber_prmtop::MBONA

Definition at line 88 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::MBPER

Definition at line 109 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::MDPER

Definition at line 111 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::MGPER

Definition at line 110 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::MPHIA

Definition at line 92 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::MTHETA

Definition at line 90 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NATCAP

Definition at line 265 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::NATEX

Definition at line 221 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::NATOM

Definition at line 85 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NATYP

Definition at line 103 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NBONA

Definition at line 97 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NBONH

Definition at line 87 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NBPER

Definition at line 106 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NDPER

Definition at line 108 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::nES

Definition at line 75 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NEXT

Definition at line 95 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::nFF

Definition at line 77 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and deallocateAmberPrmtop().

int amber_prmtop::NGPER

Definition at line 107 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NHPARM

Definition at line 93 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NMXRS

Definition at line 113 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NPARM

Definition at line 94 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NPHB

Definition at line 104 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NPHIA

Definition at line 99 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NPHIH

Definition at line 91 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NPTRA

Definition at line 102 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NRES

Definition at line 96 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::nS

Definition at line 70 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), deallocateAmberPrmtop(), parse_amber_prmtop(), read_amber_prmtop_asis(), and write_amber_prmtop().

int amber_prmtop::NSP

Definition at line 258 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::NSPM

Definition at line 255 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::NSPSOL

Definition at line 256 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::nSS

Definition at line 73 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init().

int amber_prmtop::NTHETA

Definition at line 98 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NTHETH

Definition at line 89 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NTYPES

Definition at line 86 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NUMANG

Definition at line 101 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NUMBND

Definition at line 100 of file amber_prmtop_structs.h.

Referenced by amber_prmtop_init(), and parse_amber_prmtop().

int amber_prmtop::NUMEX

Definition at line 126 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::PHASE

Definition at line 162 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::PK

Definition at line 158 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::PN

Definition at line 160 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::POINTERS

Definition at line 83 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::REQ

Definition at line 152 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::RK

Definition at line 150 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

amber_prmtop_section* amber_prmtop::S

Definition at line 72 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop(), read_amber_prmtop_asis(), and write_amber_prmtop().

char** amber_prmtop::SN

Definition at line 71 of file amber_prmtop_structs.h.

Referenced by read_amber_prmtop_asis().

int amber_prmtop::SOLTY

Definition at line 164 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int* amber_prmtop::SS

Definition at line 74 of file amber_prmtop_structs.h.

int amber_prmtop::TEQ

Definition at line 156 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::TK

Definition at line 154 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

char* amber_prmtop::VERSION

Definition at line 69 of file amber_prmtop_structs.h.

Referenced by read_amber_prmtop_asis(), and write_amber_prmtop().

int amber_prmtop::XCAP

Definition at line 268 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::YCAP

Definition at line 269 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

int amber_prmtop::ZCAP

Definition at line 270 of file amber_prmtop_structs.h.

Referenced by parse_amber_prmtop().

---

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

• inc/AMBER/amber_prmtop_structs.h