Merge branch release-2016 into release-2018

[alexxy/gromacs.git] / src / gromacs / mdlib / forcerec.cpp

diff --git a/src/gromacs/mdlib/forcerec.cpp b/src/gromacs/mdlib/forcerec.cpp
index 595231454a0b2b4ce2e80af27c024cc7a19a7840..a54d2f9c58e749183dcc954f9379bff9aa7ec28b 100644 (file)
--- a/src/gromacs/mdlib/forcerec.cpp
+++ b/src/gromacs/mdlib/forcerec.cpp
@@ -2763,6 +2763,15 @@ void init_forcerec(FILE                    *fp,
         {
             gmx_fatal(FARGS, "Cut-off scheme %S only supports LJ repulsion power 12", ecutscheme_names[ir->cutoff_scheme]);
         }
+        /* Older tpr files can contain Coulomb user tables with the Verlet cutoff-scheme,
+         * while mdrun does not (and never did) support this.
+         */
+        if (EEL_USER(fr->ic->eeltype))
+        {
+            gmx_fatal(FARGS, "Combination of %s and cutoff scheme %s is not supported",
+                      eel_names[ir->coulombtype], ecutscheme_names[ir->cutoff_scheme]);
+        }
+
         fr->bvdwtab  = FALSE;
         fr->bcoultab = FALSE;
     }