GromacsTopFile.C File Reference

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>
#include "common.h"
#include "ResizeArray.h"
#include "GromacsTopFile.h"

Go to the source code of this file.

Defines
#define	JOULES_PER_CALORIE   4.184
#define	LINESIZE   200
#define	UNKNOWN   0
#define	ATOMS   1
#define	MOLECULETYPE   2
#define	MOLECULES   3
#define	SYSTEM   4
#define	BONDS   5
#define	BONDTYPES   6
#define	ANGLES   7
#define	ATOMTYPES   8
#define	ANGLETYPES   9
#define	DIHEDRALS   10
#define	DIHEDRALTYPES   11
#define	DEFAULTS   12
#define	NONBOND   13
#define	PAIR

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Define Documentation

#define ANGLES   7

Definition at line 34 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define ANGLETYPES   9

Definition at line 36 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define ATOMS   1

Definition at line 28 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define ATOMTYPES   8

Definition at line 35 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define BONDS   5

Definition at line 32 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define BONDTYPES   6

Definition at line 33 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define DEFAULTS   12

Definition at line 39 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define DIHEDRALS   10

Definition at line 37 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define DIHEDRALTYPES   11

Definition at line 38 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define JOULES_PER_CALORIE   4.184

Definition at line 9 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define LINESIZE   200

Definition at line 24 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile(), and PDB::PDB().

#define MOLECULES   3

Definition at line 30 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define MOLECULETYPE   2

Definition at line 29 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define NONBOND   13

Definition at line 40 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define PAIR

Definition at line 41 of file GromacsTopFile.C.

#define SYSTEM   4

Definition at line 31 of file GromacsTopFile.C. Referenced by GromacsTopFile::GromacsTopFile().

#define UNKNOWN   0

Definition at line 27 of file GromacsTopFile.C.

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