// shift vector values when the largest box shift in any dimension
// is two.
const matrix box = { { 0.01, 1, -100 }, { 300, -0.03, 3 }, { -6, -600, 0.06 } };
- std::vector<gmx::RVec> shiftVectors(SHIFTS);
+ std::vector<gmx::RVec> shiftVectors(c_numShiftVectors);
calc_shifts(box, shiftVectors);