With mdrun input with the grid much finer than fourier-spacing,
PME tuning could reduce rcoulomb below the starting value.
Fixes #1606.
Change-Id: I3ae7fe38a4240251aadb96336199b306fc7dce40
while (sp <= 1.001*pme_lb->setup[pme_lb->cur].spacing || !grid_ok);
set->rcut_coulomb = pme_lb->cut_spacing*sp;
+ if (set->rcut_coulomb < pme_lb->rcut_coulomb_start)
+ {
+ /* This is unlikely, but can happen when e.g. continuing from
+ * a checkpoint after equilibration where the box shrank a lot.
+ * We want to avoid rcoulomb getting smaller than rvdw
+ * and there might be more issues with decreasing rcoulomb.
+ */
+ set->rcut_coulomb = pme_lb->rcut_coulomb_start;
+ }
if (pme_lb->cutoff_scheme == ecutsVERLET)
{