--- trunk/src/restraints/ThermoIntegrationForceManager.cpp 2006/06/17 17:02:33 989 +++ trunk/src/restraints/ThermoIntegrationForceManager.cpp 2006/06/19 01:36:06 990 @@ -145,6 +145,10 @@ namespace oopse { tempTau *= factor_; curSnapshot->statData.setTau(tempTau); +// sprintf(painCave.errMsg, "Before Calc_Restraint_Forces\n"); +// painCave.isFatal = 0; +// simError(); + // do crystal restraint forces for thermodynamic integration if (simParam->getUseSolidThermInt()) { @@ -154,6 +158,10 @@ namespace oopse { vHarm_ = restraint_->getVharm(); curSnapshot->statData[Stats::VHARM] = vHarm_; } + +// sprintf(painCave.errMsg, "After Calc_Restraint_Forces\n"); +// painCave.isFatal = 0; +// simError(); }