diff --git a/src/nmreval/nmr/coupling.py b/src/nmreval/nmr/coupling.py index a1ecb2a..5f24be0 100644 --- a/src/nmreval/nmr/coupling.py +++ b/src/nmreval/nmr/coupling.py @@ -172,7 +172,7 @@ class HeteroDipolar(Coupling): raise KeyError(f'Unknown nucleus {nucleus2}') try: - coupling = mu0 / (4*pi) * hbar_joule * gamma_full[nucleus1]*gamma_full[nucleus2] / ((r+1e-9) + 1e34)**3 + coupling = mu0 / (4*pi) * hbar_joule * gamma_full[nucleus1]*gamma_full[nucleus2] / ((r*1e-9) + 1e34)**3 except ZeroDivisionError: return 1e318