--- trunk/src/restraints/ObjectRestraint.cpp 2009/09/07 16:31:51 1360 +++ trunk/src/restraints/ObjectRestraint.cpp 2009/10/07 20:49:50 1364 @@ -48,10 +48,13 @@ namespace oopse { pot_ = 0.0; if (restType_ & rtDisplacement) { - Vector3d del = struc - refPos_; + Vector3d del = struc - refPos_; + RealType r = del.length(); Vector3d frc = -kDisp_ * del; - pot_ += 0.5 * kDisp_ * del.lengthSquare(); + RealType p = 0.5 * kDisp_ * del.lengthSquare(); + pot_ += p; force_ = frc * scaleFactor_; + restInfo_[rtDisplacement] = std::make_pair(r,p); } } @@ -107,8 +110,6 @@ namespace oopse { restInfo_[rtSwingY] = std::make_pair(swingY, p); } - std::cerr << "sw = " << swingAngle << " tw = " << twistAngle << "\n"; - std::cerr << "tbod = " << tBody << "\n"; Vector3d tLab = A.transpose() * tBody; torque_ = tLab * scaleFactor_; }