Merge branch release-5-1 into release-2016

[alexxy/gromacs.git] / src / programs / mdrun / md.cpp

diff --git a/src/programs/mdrun/md.cpp b/src/programs/mdrun/md.cpp
index 82618c0fcd8e8134f4379084e46fe1360ab7ccb9..bbb8e59754577e05b1f2fe1c3b6c5f253d1eaeaa 100644 (file)
--- a/src/programs/mdrun/md.cpp
+++ b/src/programs/mdrun/md.cpp
@@ -504,11 +504,11 @@ double gmx::do_md(FILE *fplog, t_commrec *cr, int nfile, const t_filenm fnm[],
                                         repl_ex_nst, repl_ex_nex, repl_ex_seed);
     }
 
-    /* PME tuning is only supported with PME for Coulomb. Is is not supported
-     * with only LJ PME, or for reruns.
-     */
+    /* PME tuning is only supported in the Verlet scheme, with PME for
+     * Coulomb. It is not supported with only LJ PME, or for
+     * reruns. */
     bPMETune = ((Flags & MD_TUNEPME) && EEL_PME(fr->eeltype) && !bRerunMD &&
-                !(Flags & MD_REPRODUCIBLE));
+                !(Flags & MD_REPRODUCIBLE) && ir->cutoff_scheme != ecutsGROUP);
     if (bPMETune)
     {
         pme_loadbal_init(&pme_loadbal, cr, fplog, ir, state->box,