| 149 |
|
#endif |
| 150 |
|
} |
| 151 |
|
|
| 152 |
+ |
|
| 153 |
+ |
#ifdef IS_MPI |
| 154 |
+ |
// only handle this molecular restraint if this processor owns the |
| 155 |
+ |
// molecule |
| 156 |
+ |
int myrank = MPI::COMM_WORLD.Get_rank(); |
| 157 |
+ |
if (info_->getMolToProc(molIndex) == myrank) { |
| 158 |
+ |
#endif |
| 159 |
+ |
|
| 160 |
|
MolecularRestraint* rest = new MolecularRestraint(); |
| 161 |
|
|
| 162 |
|
std::string restPre("mol_"); |
| 192 |
|
restraints_.push_back(rest); |
| 193 |
|
mol->addProperty(new RestraintData("Restraint", rest)); |
| 194 |
|
restrainedMols_.push_back(mol); |
| 195 |
< |
|
| 195 |
> |
#ifdef IS_MPI |
| 196 |
> |
} |
| 197 |
> |
#endif |
| 198 |
|
} else if (myType.compare("OBJECT") == 0) { |
| 199 |
|
|
| 200 |
|
std::string objectSelection; |
