Merge gromacs-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_bluegene / nb_kernel_w3_bluegene.h

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h b/src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h
index 663a5df1ca91fa925f841d9614fadf4c2bf41a7f..fe3a657afcd8fb2dcc9dbc09c0b16f81442996c5 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h
@@ -72,10 +72,23 @@ void NB_KERNEL (
     ntype            = *p_ntype;       
     nthreads         = *p_nthreads;    
     _facel           = *p_facel;       
+#if (COULOMB == COULOMB_TAB || VDW == VDW_TAB)
     _tabscale        = *p_tabscale;
-    _gbtabscale      = *p_gbtabscale;
+#else
+    _tabscale        = 0.0;
+#endif
+#if COULOMB == REACTION_FIELD
     _krf             = *p_krf;
     _crf             = *p_crf;
+#else
+    _krf             = 0.0;
+    _crf             = 0.0;
+#endif
+#if COULOMB == GENERALIZED_BORN
+    _gbtabscale      = *p_gbtabscale;
+#else
+    _gbtabscale      = 0.0;
+#endif
     ii               = iinr[0];        
 
     _qO              = _facel * charge[ii];