# | Line 27 | Line 27 | class SimSetup{ (private) | |
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27 | void receiveParse(void); | |
28 | #endif | |
29 | ||
30 | < | void makeAtoms( void ); |
31 | < | void makeBonds( void ); |
32 | < | void makeBends( void ); |
33 | < | void makeTorsions( void ); |
30 | > | void makeMolecules( void ); |
31 | ||
32 | void initFromBass( void ); | |
33 | void makeElement( double x, double y, double z ); | |
# | Line 58 | Line 55 | class SimSetup{ (private) | |
55 | ||
56 | Atom** the_atoms; | |
57 | SRI** the_sris; | |
58 | < | int *the_excludes; |
58 | > | Exclude** the_excludes; |
59 | Molecule* the_molecules; | |
60 | ForceFields* the_ff; | |
61 |
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