Author rulings (2026-08) — these override the sources
Author rulings (2026-08) — these override the sources¶
Given directly by the author; where they conflict with a printed source, these win.
| # | Question | Ruling |
|---|---|---|
| 1 | D/μ wall coefficient P₁ |
6.2 nm⁻¹. Table 5.2 is correct; the running-text value and the 0.62 correction are wrong. |
| 2 | Permittivity fit parameters | Gavish (30.08, 11.5) govern, as the model file records; the printed 42.12 cap is stale, the correct cap is 42.67 (SPECIFICATION.md §4.6 erratum 6; knowledge/09-comsol-reference-settings/05-contradictions-with-the-rest-of-this.md). |
| 3 | Meaning of ⟨c⟩ |
Configurable, default eq. 5.3, (1/n)Σcᵢ; ionic strength is a named option. |
| 4 | Analyte boundary conditions | No-flux, no-slip, dielectric jump: a hard dielectric body, like the pore wall. |
| 5 | ε_protein |
A calibration parameter, not a constant. Default 20 for ePNP-NS; in the case file, reported as fitted. APBS's 10 belongs to that workflow. |
| 6 | Pore-averaging convention | True volume average, with the 2πr Jacobian; the omission is a transcription issue. Published pore averages are usable as regression targets. |
| 7 | Radial potential at 0.15 M (−14/−47 vs −29/−57 mV) | Unresolved; excluded from regression targets. |
| 8 | Net charge (−72.9 / −72 / −60 e) | Different constructs; a run records which construct and PDB it started from. −72.9 and −72 are one construct: rhoq_pore integrates to −72 e, and −72.9 is COMSOL's mesh-quadrature aliasing. → knowledge/04-clya-geometry-and-charge/03-fixed-charge-pipeline.md#32-the-references-125-is-the-consumers-and-it-is-aliasing. |
| 9 | Analyte force chain | Forces + PMF (ΔU = −∫F dz); Brownian dynamics out of scope. |
| 10 | PlyAB as a second reference case | Yes, after v1.0. |
| 11 | Density-map radii and atoms | CHARMM Rmin/2 from PDB2PQR's CHARMM.DAT; the map used the full-atom MD trajectory, hydrogens included. → SPECIFICATION.md §5.3.1 NOTE on geometry.density; knowledge/04-clya-geometry-and-charge/01-geometry-pipeline-as-executed.md#11-the-authors-md-archive-measured. |
| 12 | Axial offset G9 | 0 in the MD frame (centred on the bilayer's middle). → knowledge/04-clya-geometry-and-charge/08-gaps-and-ambiguities-questions-for-the.md G9. |
| 13 | ⟨c⟩ inside a solid |
Has no meaning: ions do not exist there. ε_r,f(⟨c⟩) is evaluated only in the fluid; water off the fluid is ion-free, ε_r,f⁰. → SPECIFICATION.md §4.4 NOTE, §5.3.1 NOTE on exclusion; knowledge/06-numerics-fem/09-ngsolve-traps-found-by-implementing.md. |
| 14 | The reference polygon and VAL-05 | The 185-vertex table used pqr2grid's radial binning at L = 15 nm; the hand edit moved vertices. → SPECIFICATION.md §7.4 NOTE on VAL-05; knowledge/04-clya-geometry-and-charge/01-geometry-pipeline-as-executed.md#12-the-authors-contour-script-read, §1.4. |