--- trunk/OOPSE-4/src/types/QuarticTorsionType.hpp 2005/04/15 22:04:00 2204 +++ trunk/OOPSE-4/src/types/QuarticTorsionType.hpp 2005/11/16 23:10:02 2448 @@ -82,13 +82,13 @@ namespace oopse { k0 = k0_; } - virtual void calcForce(double cosPhi, double sinPhi, double& V, double& dVdPhi){ + virtual void calcForce(double cosPhi, double& V, double& dVdcosPhi){ double cosPhi2 = cosPhi * cosPhi; double cosPhi3 = cosPhi2 * cosPhi; double cosPhi4 = cosPhi3 * cosPhi; V =k0_ + k1_ * cosPhi + k2_*cosPhi2 + k3_*cosPhi3 + k4_*cosPhi4; - dVdPhi = k1_ + 2.0*k2_ * cosPhi + 3.0 * k3_*cosPhi2 + 4.0*k4_*cosPhi3; + dVdcosPhi = k1_ + 2.0*k2_ * cosPhi + 3.0 * k3_*cosPhi2 + 4.0*k4_*cosPhi3; } private: