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

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

diff --git a/src/gromacs/mdlib/md_support.c b/src/gromacs/mdlib/md_support.c
index 1558e45fa49755ad9f560a6334fbcb0cc841dff2..748768687bb94b1a5bb9cd5c3ced4ddf6cd88e45 100644 (file)
--- a/src/gromacs/mdlib/md_support.c
+++ b/src/gromacs/mdlib/md_support.c
@@ -49,6 +49,7 @@
 #include "macros.h"
 #include "md_logging.h"
 #include "md_support.h"
+#include "names.h"
 
 #include "gromacs/timing/wallcycle.h"
 
@@ -740,6 +741,11 @@ void check_ir_old_tpx_versions(t_commrec *cr, FILE *fplog,
                             "nstdhdl", &ir->fepvals->nstdhdl);
         }
     }
+
+    if (EI_VV(ir->eI) && IR_TWINRANGE(*ir) && ir->nstlist > 1)
+    {
+        gmx_fatal(FARGS, "Twin-range multiple time stepping does not work with integrator %s.", ei_names[ir->eI]);
+    }
 }
 
 void rerun_parallel_comm(t_commrec *cr, t_trxframe *fr,