Fix port of gapsys-LJ to simd.

[alexxy/gromacs.git] / src / gromacs / listed_forces / pairs.cpp

diff --git a/src/gromacs/listed_forces/pairs.cpp b/src/gromacs/listed_forces/pairs.cpp
index 59fb748c553092a971292b97d41e6bc1b0f58dc3..8e267f23b7daf3103ca6888db3d5ce00bd30217e 100644 (file)
--- a/src/gromacs/listed_forces/pairs.cpp
+++ b/src/gromacs/listed_forces/pairs.cpp
@@ -250,11 +250,6 @@ static real free_energy_evaluate_single(real
                  * Correct for this by multiplying with (1/12.0)/(1/6.0)=6.0/12.0=0.5.
                  */
                 sigma6VdWGapsys[i] = half * c12[i] / c6[i];
-                if (sigma6VdWGapsys[i]
-                    < scParams.sigma6VdWGapsys) /* for disappearing coul and vdw with soft core at the same time */
-                {
-                    sigma6VdWGapsys[i] = scParams.sigma6VdWGapsys;
-                }
             }
             else
             {