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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


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.


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