| 183 |
|
|
| 184 |
|
void readParams(); |
| 185 |
|
void cleanMe( void ); |
| 186 |
– |
|
| 186 |
|
void initializeAtoms( int nAtoms, Atom** atomArray ); |
| 187 |
|
void initializeBonds( int nBonds, Bond** bondArray, |
| 188 |
|
bond_pair* the_bonds ); |
| 190 |
|
bend_set* the_bends ); |
| 191 |
|
void initializeTorsions( int nTorsions, Torsion** torsionArray, |
| 192 |
|
torsion_set* the_torsions ); |
| 194 |
– |
|
| 193 |
|
void initForceField( int ljMixRule ); |
| 194 |
|
|
| 195 |
|
private: |
| 196 |
|
|
| 197 |
|
void fastForward( char* stopText, char* searchOwner ); |
| 198 |
+ |
void sectionSearch( char* secHead, char* stopText, char* searchOwner ); |
| 199 |
+ |
|
| 200 |
|
}; |
| 201 |
|
|
| 202 |
|
#endif |