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Molecule.h File Reference

#include "parm.h"
#include "common.h"
#include "NamdTypes.h"
#include "structures.h"
#include "ConfigList.h"
#include "Vector.h"
#include "UniqueSet.h"
#include "Hydrogen.h"
#include "GromacsTopFile.h"
#include "GridForceGrid.h"
#include "Tensor.h"
#include "molfile_plugin.h"
#include <vector>

Go to the source code of this file.

Classes

class  ExclusionCheck
struct  seg_resid
class  Molecule
struct  Molecule::constraint_params
struct  Molecule::gridfrc_params
struct  Molecule::stir_params
struct  Molecule::movdrag_params
struct  Molecule::rotdrag_params
struct  Molecule::constorque_params

Defines

#define EXCHCK_FULL   1
#define EXCHCK_MOD   2

Typedefs

typedef seg_resid AtomSegResInfo


Define Documentation

#define EXCHCK_FULL   1
 

Definition at line 89 of file Molecule.h.

#define EXCHCK_MOD   2
 

Definition at line 90 of file Molecule.h.


Typedef Documentation

typedef struct seg_resid AtomSegResInfo
 

Referenced by buildAtomData(), and Molecule::getAtomSegResInfo().


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