# | Line 91 | Line 91 | class SimInfo{ (public) | |
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91 | int useReactionField; | |
92 | int useGB; | |
93 | int useEAM; | |
94 | < | int useMolecularCutoffs; |
95 | < | |
94 | > | bool haveCutoffGroups; |
95 | bool useInitXSstate; | |
96 | double orthoTolerance; | |
97 |
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