+ (6.5_real * rInv12C - rInv6C));
potentialQuad = potentialQuad
- + gmx::selectByMask(((c12s * repulsionShift) - (c6s * dispersionShift)),
- computeValues);
+ + gmx::selectByMask(((c12s * repulsionShift) - (c6s * dispersionShift)),
+ computeValues);
*force = gmx::blend(*force, forceQuad, computeValues);
*potential = gmx::blend(*potential, potentialQuad, computeValues);
*dvdl = *dvdl + gmx::selectByMask(dvdlQuad, computeValues);