--- trunk/OOPSE/libmdtools/Integrator.hpp 2003/08/11 19:41:36 677 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2003/08/12 17:51:33 682 @@ -332,6 +332,7 @@ template class ZConstraint : public T { (p void zeroOutVel(); void doZconstraintForce(); + void doHarmonic(); bool checkZConsState(); bool haveFixedZMols(); @@ -343,19 +344,21 @@ template class ZConstraint : public T { (p double zconsTime; - double ztol; + double zconsTol; + double zForceConst; vector zconsMols; vector massOfZConsMols; - vector zconsPos; vector kz; vector states; - vector ZPos; + vector zPos; vector unconsMols; vector massOfUnconsMols; double totalMassOfUncons; + + vector* parameters; vector indexOfAllZConsMols; //index of All Z-Constraint Molecuels