| # | Line 95 | Line 95 | void NVE::moveA(){ | |
|---|---|---|
| 95 | } | |
| 96 | } //end for(mol = info_->beginMolecule(i)) | |
| 97 | ||
| 98 | < | //constraintAlgorithm->doConstrainA(); |
| 98 | > | rattle->constraintA(); |
| 99 | ||
| 100 | } | |
| 101 | ||
| # | Line 143 | Line 143 | void NVE::moveB(){ | |
| 143 | } //end for(mol = info_->beginMolecule(i)) | |
| 144 | ||
| 145 | ||
| 146 | < | //constraintAlgorithm->doConstrainB(); |
| 146 | > | rattle->constraintB(); |
| 147 | ||
| 148 | } | |
| 149 | ||
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