Parameters.h File Reference

#include "parm.h"
#include "common.h"
#include "structures.h"
#include "strlib.h"
#include "MStream.h"
#include "SimParameters.h"
#include "GromacsTopFile.h"

Go to the source code of this file.


class  BondValue
class  AngleValue
struct  four_body_consts
class  DihedralValue
class  ImproperValue
struct  CrosstermData
class  CrosstermValue
class  GromacsPairValue
class  NonbondedExclValue
struct  vdw_val
struct  indexed_vdw_pair
struct  indexed_nbthole_pair
struct  nbthole_pair_value
struct  indexed_table_pair
class  Parameters


#define cbrt(x)   pow((double)x,(double)(1.0/3.0))
#define paraXplor   0
#define paraCharmm   1


typedef four_body_consts FourBodyConsts
typedef vdw_val VdwValue
typedef indexed_vdw_pair IndexedVdwPair
typedef indexed_nbthole_pair IndexedNbtholePair
typedef nbthole_pair_value NbtholePairValue
typedef indexed_table_pair IndexedTablePair

Define Documentation

#define cbrt ( x   )     pow((double)x,(double)(1.0/3.0))

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 31 of file Parameters.h.


Definition at line 71 of file Parameters.h.

Referenced by Parameters::atom_type_name(), Parameters::done_reading_files(), Parameters::receive_Parameters(), and Parameters::send_Parameters().


Definition at line 68 of file Parameters.h.

Referenced by Parameters::get_dihedral_params(), Parameters::get_improper_params(), operator==(), Parameters::read_parm(), Parameters::receive_Parameters(), and Parameters::send_Parameters().

#define paraCharmm   1

Definition at line 77 of file Parameters.h.

Referenced by Parameters::Parameters().

#define paraXplor   0

Definition at line 76 of file Parameters.h.

Referenced by Parameters::assign_dihedral_index(), Parameters::assign_improper_index(), and Parameters::Parameters().

Typedef Documentation

typedef struct four_body_consts FourBodyConsts

typedef struct indexed_nbthole_pair IndexedNbtholePair

typedef struct indexed_table_pair IndexedTablePair

typedef struct indexed_vdw_pair IndexedVdwPair

typedef struct nbthole_pair_value NbtholePairValue

typedef struct vdw_val VdwValue

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