charmmStretch.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// Molecular Mechanics: Charmm force field, bond stretch component

#ifndef BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H
#define BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H

#ifndef BALL_COMMON_H
# include <BALL/common.h>
#endif

#ifndef BALL_MOLMEC_COMMON_STRETCHCOMPONENT_H
# include <BALL/MOLMEC/COMMON/stretchComponent.h>
#endif

namespace BALL
{
  class BALL_EXPORT CharmmStretch : public StretchComponent
  {
    public:

    #define CHARMM_STRETCHES_ENABLED "enable Stretches"


    BALL_CREATE(CharmmStretch)

    
    CharmmStretch();

    CharmmStretch(ForceField& force_field);

    virtual ~CharmmStretch();



    virtual bool setup() throw(Exception::TooManyErrors);

  };
} // namespace BALL

#endif // BALL_MOLMEC_CHARMM_CHARMMSTRETCH_H

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