--- trunk/src/brains/SimInfo.cpp 2008/09/10 18:11:32 1287 +++ trunk/src/brains/SimInfo.cpp 2008/10/22 20:01:49 1313 @@ -446,7 +446,7 @@ namespace oopse { b = torsion->getAtomB()->getGlobalIndex(); c = torsion->getAtomC()->getGlobalIndex(); d = torsion->getAtomD()->getGlobalIndex(); - + if (options_.havevdw12scale() || options_.haveelectrostatic12scale()) { oneTwoInteractions_.addPair(a, b); oneTwoInteractions_.addPair(b, c); @@ -763,6 +763,7 @@ namespace oopse { useRF = 0; useSF = 0; useSP = 0; + useBoxDipole = 0; if (simParams_->haveElectrostaticSummationMethod()) { @@ -949,15 +950,6 @@ namespace oopse { nOneTwo = oneTwoInteractions_.getSize(); nOneThree = oneThreeInteractions_.getSize(); nOneFour = oneFourInteractions_.getSize(); - - std::cerr << "exculdes:\n"; - std::cerr << excludedInteractions_; - std::cerr << "\noneTwo:\n"; - std::cerr << oneTwoInteractions_; - std::cerr << "\noneThree:\n"; - std::cerr << oneThreeInteractions_; - std::cerr << "\noneFour:\n"; - std::cerr << oneFourInteractions_; int* excludeList = excludedInteractions_.getPairList(); int* oneTwoList = oneTwoInteractions_.getPairList();