HarmonicBondType hb(1, 2);
CubicBondType cub(1, 2, 3);
- HarmonicAngle ang(Degrees(1), 1);
+ HarmonicAngle ang(1, Degrees(1));
molecule.addInteraction(ParticleName("O"), ParticleName("H1"), hb);
molecule.addInteraction(ParticleName("O"), ParticleName("H2"), hb);