--- trunk/OOPSE/libmdtools/SimSetup.cpp 2004/02/06 19:05:07 1032 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2004/02/06 21:37:59 1035 @@ -1725,6 +1725,7 @@ void SimSetup::makeMinimizer(){ //creat myOOPSEMinimizerBase = new OOPSEMinimizerBase(&(info[i]), the_ff); + info[i].the_integrator = myOOPSEMinimizerBase; //creat the object functor; objFunc = (ObjFunctor1*) new ClassMemObjFunctor1 (myOOPSEMinimizerBase, &OOPSEMinimizerBase::calcGradient); @@ -1737,6 +1738,8 @@ void SimSetup::makeMinimizer(){ dim = myOOPSEMinimizerBase->getDim(); nlp = new ConcreteNLModel1(dim, objFunc); + nlp->setX(myOOPSEMinimizerBase->getCoor()); + //prepare parameter set for minimizer param = new MinimizerParameterSet(); param->setDefaultParameter();