BALL
1.5.0
include
BALL
MOLMEC
CHARMM
charmmStretch.h
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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// Molecular Mechanics: Charmm force field, bond stretch component
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#ifndef BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
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#define BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
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#ifndef BALL_COMMON_H
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# include <
BALL/common.h
>
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#endif
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#ifndef BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
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# include <
BALL/MOLMEC/COMMON/stretchComponent.h
>
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#endif
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namespace
BALL
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{
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class
BALL_EXPORT
CharmmStretch
:
public
StretchComponent
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{
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public
:
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#define CHARMM_STRETCHES_ENABLED "enable Stretches"
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BALL_CREATE
(CharmmStretch)
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CharmmStretch();
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CharmmStretch(ForceField& force_field);
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virtual
~CharmmStretch();
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virtual
bool
setup();
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};
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}
// namespace BALL
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#endif // BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
stretchComponent.h
common.h
BALL::CharmmStretch
Definition:
charmmStretch.h:23
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::StretchComponent
Definition:
stretchComponent.h:30
BALL
Definition:
constants.h:12
BALL_CREATE
#define BALL_CREATE(name)
Definition:
create.h:62
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