--- trunk/src/constraints/Rattle.cpp 2014/04/15 20:36:19 1983 +++ trunk/src/constraints/Rattle.cpp 2014/04/18 20:07:09 1989 @@ -52,6 +52,8 @@ namespace OpenMD { if (info_->getNGlobalConstraints() > 0) doRattle_ = true; + if (!doRattle_) return; + Globals* simParams = info_->getSimParams(); if (simParams->haveDt()) { @@ -73,9 +75,10 @@ namespace OpenMD { constraintOutputFile_ = getPrefix(info_->getFinalConfigFileName()) + ".constraintForces"; + // create ConstraintWriter constraintWriter_ = new ConstraintWriter(info_, - constraintOutputFile_.c_str()); + constraintOutputFile_.c_str()); if (!constraintWriter_){ sprintf(painCave.errMsg, "Failed to create ConstraintWriter\n");