7 #ifndef BALL_MOLMEC_CHARMM_CHARMMTORSION_H
8 #define BALL_MOLMEC_CHARMM_CHARMMTORSION_H
14 #ifndef BALL_MOLMEC_PARAMETER_COSINETORSION_H
18 #ifndef BALL_MOLMEC_PARAMETER_RESIDUETORSIONS_H
22 #ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
26 #ifndef BALL_MOLMEC_COMMON_FORCEFIELD_H
42 #define CHARMM_TORSIONS_ENABLED "enable Torsions"
102 CharmmTorsion(const CharmmTorsion& charmm_stretch);
106 virtual ~CharmmTorsion();
116 throw(Exception::TooManyErrors);
125 virtual
double updateEnergy();
129 virtual
void updateForces();
141 vector<SingleCharmmTorsion> torsion_;
153 bool use_residue_torsion_list_;
160 #endif // BALL_MOLMEC_CHARMM_CHARMMTORSION_H
#define BALL_CREATE(name)
SingleCharmmTorsion(CosineTorsion::SingleData &t)
-*- Mode: C++; tab-width: 2; -*-
BALL_EXTERN_VARIABLE const double PI
PI.