--- trunk/src/integrators/Velocitizer.cpp 2005/05/31 22:31:54 557 +++ trunk/src/integrators/Velocitizer.cpp 2005/10/13 22:26:47 665 @@ -157,7 +157,7 @@ namespace oopse { removeComDrift(); // Remove angular drift if we are not using periodic boundary conditions. - if(!simParams->getPBC()) removeAngularDrift(); + if(!simParams->getUsePeriodicBoundaryConditions()) removeAngularDrift(); } @@ -202,17 +202,18 @@ namespace oopse { info_->getInertiaTensor(inertiaTensor,angularMomentum); // We now need the inverse of the inertia tensor. - + /* std::cerr << "Angular Momentum before is " << angularMomentum << std::endl; std::cerr << "Inertia Tensor before is " << inertiaTensor << std::endl; + */ - inertiaTensor =inertiaTensor.inverse(); + /* std::cerr << "Inertia Tensor after inverse is " << inertiaTensor << std::endl; - + */ omega = inertiaTensor*angularMomentum; SimInfo::MoleculeIterator i; @@ -234,9 +235,10 @@ namespace oopse { } angularMomentum = info_->getAngularMomentum(); + /* std::cerr << "Angular Momentum after is " << angularMomentum << std::endl; - + */ }