charmmBend.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_CHARMMBEND_H
#define BALL_MOLMEC_CHARMM_CHARMMBEND_H

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

#ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
# include <BALL/MOLMEC/COMMON/bendComponent.h>
#endif

namespace BALL 
{
  class BALL_EXPORT CharmmBend : public BendComponent
  {
    public:

    BALL_CREATE(CharmmBend)

    
    #define CHARMM_BENDS_ENABLED "enable Bends"


    CharmmBend();

    CharmmBend(ForceField& force_field);

    virtual ~CharmmBend();



    virtual bool setup()
      throw(Exception::TooManyErrors);
  };
} // namespace BALL

#endif // BALL_MOLMEC_CHARMM_CHARMMBEND_H

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