| # | Line 82 | Line 82 | class SimSetup{ (private) | |
|---|---|---|
| 82 | int tot_torsions; | |
| 83 | int tot_SRI; | |
| 84 | ||
| 85 | – | Atom** the_atoms; |
| 86 | – | SRI** the_sris; |
| 87 | – | Exclude** the_excludes; |
| 88 | – | Molecule* the_molecules; |
| 85 | ForceFields* the_ff; | |
| 86 | ||
| 87 | // needed by makeElement | |
| # | Line 99 | Line 95 | class SimSetup{ (private) | |
| 95 | int* globalIndex; | |
| 96 | #endif //is_mpi | |
| 97 | ||
| 98 | + | void setupZConstraint(void); |
| 99 | + | |
| 100 | }; | |
| 101 | #endif | |
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