| 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 | 
  | 
   |