# | Line 30 | Line 30 | typedef struct{ | |
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30 | double targetTemp; | |
31 | double dt; | |
32 | double runTime; | |
33 | + | |
34 | double boxX, boxY, boxZ; | |
35 | + | bool haveBox; |
36 | + | |
37 | int nComponents; | |
38 | int totNmol; | |
39 | int* componentsNmol; |
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