| 249 |
|
} |
| 250 |
|
|
| 251 |
|
|
| 252 |
– |
void ForceFields::initRestraints(){ |
| 253 |
– |
int i; |
| 254 |
– |
// store the initial info. |
| 255 |
– |
// set the omega values to zero |
| 256 |
– |
for (i=0; i<entry_plug->integrableObjects.size(); i++) |
| 257 |
– |
entry_plug->integrableObjects[i]->setZangle( 0.0 ); |
| 258 |
– |
|
| 259 |
– |
entry_plug->restraint->Store_Init_Info(entry_plug->integrableObjects); |
| 260 |
– |
|
| 261 |
– |
} |
| 262 |
– |
|
| 263 |
– |
void ForceFields::dumpzAngle(){ |
| 264 |
– |
|
| 265 |
– |
// store the initial info. |
| 266 |
– |
entry_plug->restraint->Write_zAngle_File(entry_plug->integrableObjects); |
| 267 |
– |
|
| 268 |
– |
} |
