Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_4xn / nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn.c b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn.c
index 8acf55738601060742a3dda2755715b750776f7c..8c59343b3e174fa18e9f8c54c864572786a21b8d 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_ElecEw_VdwLJCombGeom_F_4xn.c
@@ -47,6 +47,7 @@
 #include "nbnxn_kernel_simd_4xn.h"
 
 #define CALC_COUL_EWALD
+#define LJ_CUT
 #define LJ_COMB_GEOM
 /* Will not calculate energies */