# | Line 4 | Line 4 | Torsion::Torsion(Atom *atom1, Atom *atom2, Atom *atom3 | |
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4 | ||
5 | Torsion::Torsion(Atom *atom1, Atom *atom2, Atom *atom3, Atom *atom4, | |
6 | TorsionType *tt) : | |
7 | < | atom1_(atom1), |
8 | < | atom2_(atom2), |
9 | < | atom3_(atom3), |
10 | < | atom4_(atom4) { } |
7 | > | atom1_(atom1), atom2_(atom2), atom3_(atom3), atom4_(atom4), torsionType_(tt) { } |
8 | ||
9 | void Torsion::calcForce() { | |
10 | Vector3d pos1 = atom1_->getPos(); |
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