N copies of chignolin diffusing in a 2D periodic box. Position, orientation, and pairwise
interactions are driven by parameters from chignolin-reduced.json — net charge,
hydrodynamic radius, diffusion coefficient, hydrophobicity. The reduced-model JSON is
inlined below for transparency; in a real cell-scale pipeline it would be loaded from disk.
step:0 D measured (a.u.):— D predicted from JSON:— contacts (overlapping pairs):0 avg pair distance:— a.u.