| 96 | 
  | 
     | 
| 97 | 
  | 
  } | 
| 98 | 
  | 
   | 
| 99 | 
< | 
  SimInfo*  SimCreator::createSim(const std::string & mdFileName, bool loadInitCoords) { | 
| 99 | 
> | 
  SimInfo*  SimCreator::createSim(const std::string & mdFileName,  | 
| 100 | 
> | 
                                  bool loadInitCoords) { | 
| 101 | 
  | 
     | 
| 102 | 
  | 
    MakeStamps * stamps = new MakeStamps(); | 
| 103 | 
  | 
     | 
| 107 | 
  | 
    parseFile(mdFileName, stamps, simParams); | 
| 108 | 
  | 
     | 
| 109 | 
  | 
    //create the force field | 
| 110 | 
< | 
    ForceField * ff = ForceFieldFactory::getInstance()->createForceField( | 
| 111 | 
< | 
                                                                         simParams->getForceField()); | 
| 110 | 
> | 
    ForceField * ff = ForceFieldFactory::getInstance() | 
| 111 | 
> | 
      ->createForceField(simParams->getForceField()); | 
| 112 | 
  | 
     | 
| 113 | 
  | 
    if (ff == NULL) { | 
| 114 | 
< | 
      sprintf(painCave.errMsg, "ForceField Factory can not create %s force field\n", | 
| 114 | 
> | 
      sprintf(painCave.errMsg,  | 
| 115 | 
> | 
              "ForceField Factory can not create %s force field\n", | 
| 116 | 
  | 
              simParams->getForceField()); | 
| 117 | 
  | 
      painCave.isFatal = 1; | 
| 118 | 
  | 
      simError(); |