| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 178 |  |  | 
| 179 |  | //move the reference center of mass to (0,0,0) and adjust the reference coordinate | 
| 180 |  | //of the integrabel objects | 
| 181 | < | for(int i = 0; i < nIntegrableObjects; i++) | 
| 182 | < | refCoords[i] -= refMolCom; | 
| 181 | > | for(int i = 0; i < nIntegrableObjects; i++) | 
| 182 | > | refCoords[i] -= refMolCom; | 
| 183 |  | } | 
| 184 |  |  | 
| 185 |  | double getAtomMass(const std::string& at, ForceField* myFF) { |