Added a note about unsupported Verlet cutoff + Buckingham.

Refs #1192.

Change-Id: I2da3bf8c768de40531e1ffdf6f8cec73c9e53314

diff --git a/src/mdlib/forcerec.c b/src/mdlib/forcerec.c
index 6a1f9db5868e6b9da4ba824599bf726a9685762e..58fb1ea91350815e54d9263cdc7d432b05ef811c 100644 (file)
--- a/src/mdlib/forcerec.c
+++ b/src/mdlib/forcerec.c
@@ -2579,6 +2579,11 @@ 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",