--- trunk/OOPSE/libmdtools/SimSetup.cpp 2004/02/24 15:49:02 1065 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2004/02/24 16:36:33 1066 @@ -1756,7 +1756,7 @@ void SimSetup::makeMinimizer(){ param->setLineSearchTol(globals->getMinLSTol()); } - strcpy(ensemble, globals->getMinimizer()); + strcpy(minimizerName, globals->getMinimizer()); if (!strcasecmp(minimizerName, "CG")){ myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); @@ -1766,8 +1766,14 @@ void SimSetup::makeMinimizer(){ myOOPSEMinimizer = new SDMinimizer(&(info[i]), the_ff, param); } else{ - info[i].the_integrator = myOOPSEMinimizer; + sprintf(painCave.errMsg, + "SimSetup error: Unrecognized Minimizer, use Conjugate Gradient \n"); + painCave.isFatal = 0; + simError(); + + myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param); } + info[i].the_integrator = myOOPSEMinimizer; //store the minimizer into simInfo info[i].the_minimizer = myOOPSEMinimizer;