Merge release-4-6 into release-5-0

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

diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c
index 67cd36f34184ba820b4ab4a6196dd56fc135078a..8db62ab92d8cc649abe64b7c8ae31f4cefd44611 100644 (file)
--- a/src/gromacs/mdlib/forcerec.c
+++ b/src/gromacs/mdlib/forcerec.c
@@ -2861,6 +2861,11 @@ void init_forcerec(FILE              *fp,
         gmx_fatal(FARGS, "Switch/shift interaction not supported with Buckingham");
     }
 
+    if (fr->bBHAM && fr->cutoff_scheme == ecutsVERLET)
+    {
+        gmx_fatal(FARGS, "Verlet cutoff-scheme is not supported with Buckingham");
+    }
+
     if (fp)
     {
         fprintf(fp, "Cut-off's:   NS: %g   Coulomb: %g   %s: %g\n",