BALL 1.5.0
charmmBend.h
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1// -*- Mode: C++; tab-width: 2; -*-
2// vi: set ts=2:
3//
4// Molecular Mechanics: Charmm force field, bond stretch component
5
6#ifndef BALL_MOLMEC_CHARMM_CHARMMBEND_H
7#define BALL_MOLMEC_CHARMM_CHARMMBEND_H
8
9#ifndef BALL_COMMON_H
10# include <BALL/common.h>
11#endif
12
13#ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
15#endif
16
17namespace BALL
18{
24 {
25 public:
26
28
29
30 #define CHARMM_BENDS_ENABLED "enable Bends"
31
35
39
42 CharmmBend(ForceField& force_field);
43
46 virtual ~CharmmBend();
47
49
52
56 virtual bool setup();
58 };
59} // namespace BALL
60
61#endif // BALL_MOLMEC_CHARMM_CHARMMBEND_H
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
virtual bool setup()
virtual ~CharmmBend()
CharmmBend(ForceField &force_field)
#define BALL_EXPORT
Definition: COMMON/global.h:50