# | Line 95 | Line 95 | void NVE::moveA(){ | |
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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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