34 |
|
* |
35 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
36 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
37 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
37 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
38 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
39 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
40 |
|
*/ |
71 |
|
RigidBody* rb; |
72 |
|
SimInfo::MoleculeIterator mi; |
73 |
|
Molecule::RigidBodyIterator rbIter; |
74 |
– |
Molecule::AtomIterator ai; |
74 |
|
StuntDouble* sd; |
75 |
|
Vector3d vec; |
76 |
|
int i; |