Caused by SIMD padding introduced by new group kernels.
Fixes #1499
Change-Id: I5126217c9b752f1c1fd04d01e2644987fdc52d5b
for (j = j0; (j < j1 && nremove < natoms_solvt); j++)
{
jnr = nlist->jjnr[j];
for (j = j0; (j < j1 && nremove < natoms_solvt); j++)
{
jnr = nlist->jjnr[j];
+ if (jnr < 0)
+ {
+ /* skip padding */
+ continue;
+ }
copy_rvec(x_all[jnr], xj);
/* Check solvent-protein and solvent-solvent */
copy_rvec(x_all[jnr], xj);
/* Check solvent-protein and solvent-solvent */