* Correct for this by multiplying with (1/12.0)/(1/6.0)=6.0/12.0=0.5.
*/
sigma6[i] = half * c12[i] / c6[i];
- if ((sigma6[i] < scParams.sigma6Minimum) && softcoreType == SoftcoreType::Beutler) /* for disappearing coul and vdw with soft core at the same time */
+ if (softcoreType == SoftcoreType::Beutler && (sigma6[i] < scParams.sigma6Minimum)) /* for disappearing coul and vdw with soft core at the same time */
{
sigma6[i] = scParams.sigma6Minimum;
}