--- trunk/src/integrators/NVT.cpp 2005/01/12 22:41:40 246 +++ trunk/src/integrators/NVT.cpp 2005/01/17 16:58:32 271 @@ -46,11 +46,11 @@ namespace oopse { namespace oopse { -NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(info), chiTolerance_ (1e-6) { +NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(info), chiTolerance_ (1e-6), maxIterNum_(4) { Globals* simParams = info_->getSimParams(); - if (simParams->getUseInitXSstate()) { + if (!simParams->getUseInitXSstate()) { Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); currSnapshot->setChi(0.0); currSnapshot->setIntegralOfChiDt(0.0);