# | Line 43 | Line 43 | class TorsionType{ | |
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43 | TorsionType(AtomType* at1, AtomType* at2, AtomType* at3, AtomType* at4); | |
44 | virtual ~TorsionType() {} | |
45 | ||
46 | < | void calcForce(double cosTheta, double& force, double& potential); |
46 | > | virtual void calcForce(double cosTheta, double& firstDerivative, double& potential); |
47 | ||
48 | protected: | |
49 |
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