| 16 |  | SimSetup(); | 
| 17 |  | ~SimSetup(); | 
| 18 |  |  | 
| 19 | < | void setSimInfo( SimInfo* the_simnfo ) { simnfo = the_simnfo; } | 
| 19 | > | void setSimInfo( SimInfo* the_info ) { info = the_info; } | 
| 20 |  | void parseFile( char* fileName ); | 
| 21 |  | void createSim( void ); | 
| 22 |  |  | 
| 32 |  | void finalInfoCheck( void ); | 
| 33 |  | void initSystemCoords( void ); | 
| 34 |  | void makeOutNames(void); | 
| 35 | + | void makeIntegrator(void); | 
| 36 | + | void initFortran(void); | 
| 37 |  |  | 
| 38 |  | void createFF( void ); | 
| 39 |  | void compList( void ); | 
| 63 |  | SimInfo* info; | 
| 64 |  |  | 
| 65 |  | int n_components; | 
| 66 | + | int globalAtomIndex; | 
| 67 |  |  | 
| 68 |  | char force_field[100]; | 
| 69 |  | char ensemble[100]; |