BALL 1.5.0
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amberBend.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// Molecular Mechanics: Amber force field, bond stretch component
5
6#ifndef BALL_MOLMEC_AMBER_AMBERBEND_H
7#define BALL_MOLMEC_AMBER_AMBERBEND_H
8
9#ifndef BALL_COMMON_H
10# include <BALL/common.h>
11#endif
12
13#ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
15#endif
16
17namespace BALL
18{
24 {
25 public:
26
28
29
30 #define AMBER_BEND_ENABLED "enable Bends"
31
35
39
42 AmberBend(ForceField& force_field);
43
46 virtual ~AmberBend();
47
49
53
57 virtual bool setup();
58
60 };
61} // namespace BALL
62
63#endif // BALL_MOLMEC_AMBER_AMBERBEND_H
#define BALL_CREATE(name)
Definition create.h:62
virtual ~AmberBend()
AmberBend(ForceField &force_field)
virtual bool setup()
#define BALL_EXPORT