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parm Struct Reference

#include <ReadPARM.h>

List of all members.

Public Attributes
char	ititl [81]
int	IfBox
int	Nmxrs
int	IfCap
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	Nat3
int	Ntype2d
int	Nttyp
int	Nspm
int	Iptres
int	Nspsol
int	Ipatm
int	Natcap
char *	AtomNames
char *	ResNames
char *	AtomSym
char *	AtomTree
_REAL *	Charges
_REAL *	Masses
_REAL *	Rk
_REAL *	Req
_REAL *	Tk
_REAL *	Teq
_REAL *	Pk
_REAL *	Pn
_REAL *	Phase
_REAL *	Solty
_REAL *	Cn1
_REAL *	Cn2
_REAL *	HB12
_REAL *	HB6
_REAL	Box [3]
_REAL	Cutcap
_REAL	Xcap
_REAL	Ycap
_REAL	Zcap
int *	Iac
int *	Iblo
int *	Cno
int *	Ipres
int *	ExclAt
int *	TreeJoin
int *	AtomRes
int *	BondHAt1
int *	BondHAt2
int *	BondHNum
int *	BondAt1
int *	BondAt2
int *	BondNum
int *	AngleHAt1
int *	AngleHAt2
int *	AngleHAt3
int *	AngleHNum
int *	AngleAt1
int *	AngleAt2
int *	AngleAt3
int *	AngleNum
int *	DihHAt1
int *	DihHAt2
int *	DihHAt3
int *	DihHAt4
int *	DihHNum
int *	DihAt1
int *	DihAt2
int *	DihAt3
int *	DihAt4
int *	DihNum
int *	Boundary
char	title [85]
char	version [85]
int	Nbonds
int	Mptra
int	Jparm
int	Ifpert
int	Nbper
int	Ngper
int	Ndper
int	Mbper
int	Mgper
int	Mdper
int	Numextra

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Member Data Documentation

int * parm::AngleAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleAt3

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleHAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleHAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleHAt3

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleHNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::AngleNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

char* parm::AtomNames

Definition at line 67 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

int * parm::AtomRes

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

char * parm::AtomSym

Definition at line 67 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

char * parm::AtomTree

Definition at line 67 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::BondAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::get_parm_bond, and ReadPARM::readparm.

int * parm::BondAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::get_parm_bond, and ReadPARM::readparm.

int * parm::BondHAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::get_hydrogen_bond, and ReadPARM::readparm.

int * parm::BondHAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::get_hydrogen_bond, and ReadPARM::readparm.

int * parm::BondHNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::BondNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::Boundary

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL parm::Box

Definition at line 72 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

_REAL* parm::Charges

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

_REAL * parm::Cn1

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Cn2

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::Cno

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL parm::Cutcap

Definition at line 72 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int * parm::DihAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihAt3

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihAt4

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihHAt1

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihHAt2

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihHAt3

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihHAt4

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihHNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::DihNum

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::ExclAt

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::HB12

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::HB6

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int* parm::Iac

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::Iblo

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int parm::IfBox

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::get_parm_boxInfo, read_parm7_header, and ReadPARM::readparm.

int parm::IfCap

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Ifpert

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Ipatm

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int * parm::Ipres

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

int parm::Iptres

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

char parm::ititl[81]

Definition at line 60 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int parm::Jparm

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

_REAL * parm::Masses

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

int parm::Mbona

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Mbper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Mdper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Mgper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Mphia

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Mptra

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Mtheta

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nat3

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Natcap

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int parm::Natom

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::get_parm_natoms, open_parm7_read, read_parm7_header, read_parm7_structure, and ReadPARM::readparm.

int parm::Natyp

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nbona

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::get_hydrogen_bond, ReadPARM::get_parm_bond, ReadPARM::get_parm_nbonds, open_parm7_read, read_parm7_header, read_parm7_structure, and ReadPARM::readparm.

int parm::Nbonds

Definition at line 65 of file ReadPARM7.h.

int parm::Nbonh

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::get_parm_nbonds, open_parm7_read, read_parm7_header, read_parm7_structure, and ReadPARM::readparm.

int parm::Nbper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Ndper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Ngper

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

int parm::Nhparm

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int parm::Nmxrs

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nnb

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nparm

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nphb

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nphia

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nphih

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nptra

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nres

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::get_parm_atom, read_parm7_header, read_parm7_structure, and ReadPARM::readparm.

int parm::Nspm

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int parm::Nspsol

Definition at line 65 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

int parm::Ntheta

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Ntheth

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Nttyp

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Ntype2d

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Ntypes

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Numang

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Numbnd

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header, and ReadPARM::readparm.

int parm::Numextra

Definition at line 65 of file ReadPARM7.h. Referenced by read_parm7_header.

_REAL * parm::Phase

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Pk

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Pn

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Req

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

char * parm::ResNames

Definition at line 67 of file ReadPARM.h. Referenced by ReadPARM::get_parm_atom, and ReadPARM::readparm.

_REAL * parm::Rk

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Solty

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

_REAL * parm::Teq

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

char parm::title[85]

Definition at line 63 of file ReadPARM7.h. Referenced by read_parm7_header.

_REAL * parm::Tk

Definition at line 68 of file ReadPARM.h. Referenced by ReadPARM::readparm.

int * parm::TreeJoin

Definition at line 71 of file ReadPARM.h. Referenced by ReadPARM::readparm.

char parm::version[85]

Definition at line 64 of file ReadPARM7.h.

_REAL parm::Xcap

Definition at line 72 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

_REAL parm::Ycap

Definition at line 72 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

_REAL parm::Zcap

Definition at line 72 of file ReadPARM7.h. Referenced by ReadPARM::readparm.

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

• ReadPARM.h
• ReadPARM7.h

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