Change-Id: I277d0f03f67dfbb5ca5785adc7e8f31880202b41
{
rvec_sub(x[ca_end], x[i], vec);
}
{
rvec_sub(x[ca_end], x[i], vec);
}
- while ((i < natoms) && (norm(vec) < 0.45));
+ while (norm(vec) < 0.45);
end[nchain] = ca_end;
while ((end[nchain]+1 < natoms) &&
end[nchain] = ca_end;
while ((end[nchain]+1 < natoms) &&
nlist = nblists->nlist_sr;
f = f_shortrange;
}
nlist = nblists->nlist_sr;
f = f_shortrange;
}
{
/* Long-range */
if (!(flags & GMX_NONBONDED_DO_LR))
{
/* Long-range */
if (!(flags & GMX_NONBONDED_DO_LR))