--- trunk/src/constraints/Rattle.cpp 2014/04/14 18:32:51 1981 +++ trunk/src/constraints/Rattle.cpp 2014/04/15 12:12:23 1982 @@ -47,7 +47,7 @@ namespace OpenMD { Rattle::Rattle(SimInfo* info) : info_(info), maxConsIteration_(10), consTolerance_(1.0e-6), doRattle_(false) { - if (info_->getNConstraints() > 0) + if (info_->getNGlobalConstraints() > 0) doRattle_ = true; Globals* simParams = info_->getSimParams(); @@ -56,10 +56,11 @@ namespace OpenMD { dt_ = simParams->getDt(); } else { sprintf(painCave.errMsg, - "Integrator Error: dt is not set\n"); + "Rattle Error: dt is not set\n"); painCave.isFatal = 1; simError(); } + currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot(); if (simParams->haveConstraintTime()){ constraintTime_ = simParams->getConstraintTime();