Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_free_energy.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
index 9b17054dd9268bde48ee3d6ed3999f10e591998a..8c0ec0b588456cf1e4bb6fa23808a73843f3997c 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
@@ -412,10 +412,18 @@ gmx_nb_free_energy_kernel(t_nblist *                nlist,
                                 FscalC[i]  = -qq[i]*tabscale*FF*rC*rpinvC;
                                 break;
 
-                            default:
+                            case GMX_NBKERNEL_ELEC_GENERALIZEDBORN:
+                                gmx_fatal(FARGS, "Free energy and GB not implemented.\n");
+                                break;
+
+                            case GMX_NBKERNEL_ELEC_NONE:
                                 FscalC[i]  = 0.0;
                                 Vcoul[i]   = 0.0;
                                 break;
+
+                            default:
+                                gmx_incons("Invalid icoul in free energy kernel");
+                                break;
                         }
 
                         if (fr->coulomb_modifier == eintmodPOTSWITCH)
@@ -490,10 +498,14 @@ gmx_nb_free_energy_kernel(t_nblist *                nlist,
                                 FscalV[i] -= c12[i]*tabscale*FF*rV*rpinvV;
                                 break;
 
-                            default:
+                            case GMX_NBKERNEL_VDW_NONE:
                                 Vvdw[i]    = 0.0;
                                 FscalV[i]  = 0.0;
                                 break;
+
+                            default:
+                                gmx_incons("Invalid ivdw in free energy kernel");
+                                break;
                         }
 
                         if (fr->vdw_modifier == eintmodPOTSWITCH)