| 144 |  | tempTau = curSnapshot->statData.getTau(); | 
| 145 |  | tempTau *= factor_; | 
| 146 |  | curSnapshot->statData.setTau(tempTau); | 
| 147 | – |  | 
| 148 | – | //     sprintf(painCave.errMsg, "Before Calc_Restraint_Forces\n"); | 
| 149 | – | //     painCave.isFatal = 0; | 
| 150 | – | //     simError(); | 
| 147 |  |  | 
| 148 |  | // do crystal restraint forces for thermodynamic integration | 
| 149 |  | if (simParam->getUseSolidThermInt()) { | 
| 154 |  | vHarm_ = restraint_->getVharm(); | 
| 155 |  | curSnapshot->statData[Stats::VHARM] = vHarm_; | 
| 156 |  | } | 
| 161 | – |  | 
| 162 | – | //     sprintf(painCave.errMsg, "After Calc_Restraint_Forces\n"); | 
| 163 | – | //     painCave.isFatal = 0; | 
| 164 | – | //     simError(); | 
| 157 |  |  | 
| 158 |  | } | 
| 159 |  |  |