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SimParameters.h File Reference

#include "common.h"
#include "Vector.h"
#include "Lattice.h"
#include "MGridforceParams.h"

Go to the source code of this file.

Classes

class  SimParameters

Defines

#define NONE   0
#define ONETWO   1
#define ONETHREE   2
#define ONEFOUR   3
#define SCALED14   4
#define NAIVE   0
#define VERLETI   1
#define SHARP   0
#define XPLOR   1
#define C1   2
#define C2   3
#define LDBSTRAT_NONE   0
#define LDBSTRAT_REFINEONLY   1
#define LDBSTRAT_ALG7   2
#define LDBSTRAT_ASB8   3
#define LDBSTRAT_OTHER   99
#define SPLIT_PATCH_POSITION   0
#define SPLIT_PATCH_HYDROGEN   1
#define RIGID_NONE   0
#define RIGID_ALL   1
#define RIGID_WATER   2

Typedefs

typedef int ExclusionSettings
typedef int MTSChoices


Define Documentation

#define C1   2
 

Definition at line 56 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define C2   3
 

Definition at line 57 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define LDBSTRAT_ALG7   2
 

Definition at line 63 of file SimParameters.h.

#define LDBSTRAT_ASB8   3
 

Definition at line 64 of file SimParameters.h.

#define LDBSTRAT_NONE   0
 

Definition at line 61 of file SimParameters.h.

#define LDBSTRAT_OTHER   99
 

Definition at line 65 of file SimParameters.h.

#define LDBSTRAT_REFINEONLY   1
 

Definition at line 62 of file SimParameters.h.

#define NAIVE   0
 

Definition at line 49 of file SimParameters.h.

#define NONE   0
 

Definition at line 39 of file SimParameters.h.

Referenced by buildExclusions().

#define ONEFOUR   3
 

Definition at line 42 of file SimParameters.h.

Referenced by buildExclusions().

#define ONETHREE   2
 

Definition at line 41 of file SimParameters.h.

Referenced by buildExclusions().

#define ONETWO   1
 

Definition at line 40 of file SimParameters.h.

Referenced by buildExclusions().

#define RIGID_ALL   1
 

Definition at line 75 of file SimParameters.h.

#define RIGID_NONE   0
 

Definition at line 74 of file SimParameters.h.

#define RIGID_WATER   2
 

Definition at line 76 of file SimParameters.h.

#define SCALED14   4
 

Definition at line 43 of file SimParameters.h.

Referenced by buildExclusions().

#define SHARP   0
 

Definition at line 54 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().

#define SPLIT_PATCH_HYDROGEN   1
 

Definition at line 70 of file SimParameters.h.

#define SPLIT_PATCH_POSITION   0
 

Definition at line 69 of file SimParameters.h.

#define VERLETI   1
 

Definition at line 50 of file SimParameters.h.

#define XPLOR   1
 

Definition at line 55 of file SimParameters.h.

Referenced by ComputeNonbondedUtil::select().


Typedef Documentation

typedef int ExclusionSettings
 

Definition at line 37 of file SimParameters.h.

typedef int MTSChoices
 

Definition at line 47 of file SimParameters.h.


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