| 56 |  | DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180_is_trans"); | 
| 57 |  | DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0); | 
| 58 |  | DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0) | 
| 59 | – | DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0); | 
| 59 |  | DefineOptionalParameterWithDefaultValue(GayBerneMu, "GayBerneMu", 2.0); | 
| 60 |  | DefineOptionalParameterWithDefaultValue(GayBerneNu, "GayBerneNu", 1.0); | 
| 61 |  | } | 
| 68 |  | fortranForceOptions.GayBerneMu = this->getGayBerneMu(); | 
| 69 |  | fortranForceOptions.GayBerneNu = this->getGayBerneNu(); | 
| 70 |  |  | 
| 72 | – | std::cout << "GBM = " <<  fortranForceOptions.GayBerneMu << " GBN = " << fortranForceOptions.GayBerneNu  << std::endl; | 
| 71 |  |  | 
| 72 |  | std::string DistanceMix = this->getDistanceMixingRule(); | 
| 73 |  | toUpper(DistanceMix); |