--- trunk/OOPSE-1.0/libmdtools/SimSetup.cpp 2004/08/06 15:52:36 1450 +++ trunk/OOPSE-1.0/libmdtools/SimSetup.cpp 2004/08/09 14:50:35 1451 @@ -832,7 +832,6 @@ void SimSetup::gatherInfo(void){ } } - for (i=0; i < nInfo; i++) { // check for the temperature set flag @@ -852,7 +851,7 @@ void SimSetup::gatherInfo(void){ info[i].thermIntLambda = globals->getThermIntLambda(); info[i].thermIntK = globals->getThermIntK(); - Restraints *myRestraint = new Restraints(tot_nmol, info[i].thermIntLambda, info[i].thermIntK); + Restraints *myRestraint = new Restraints(info[i].thermIntLambda, info[i].thermIntK); info[i].restraint = myRestraint; } else {