fixed recent bug with grompp check for P-R P-coupling

Fix for recent commit 57dac834

Change-Id: I5bc631d6db848c8702a65c42ae27f096804abbf7

diff --git a/src/kernel/readir.c b/src/kernel/readir.c
index 18c3c18a2b5920d90e6726a48c587ef3a06e661a..8163d9275b2e520f156d5619d6f9dbe137f652d0 100644 (file)
--- a/src/kernel/readir.c
+++ b/src/kernel/readir.c
@@ -434,16 +434,17 @@ void check_ir(const char *mdparin,t_inputrec *ir, t_gromppopts *opts,
         sprintf(err_buf,"pressure coupling with PPPM not implemented, use PME");
         CHECK(ir->coulombtype == eelPPPM);
 
-        if (epcPARRINELLORAHMAN == ir->epct && opts->bGenVel)
+        if (epcPARRINELLORAHMAN == ir->epc && opts->bGenVel)
         {
             sprintf(warn_buf,
                     "You are generating velocities so I am assuming you "
                     "are equilibrating a system. You are using "
-                    "Parrinello-Rahman pressure coupling, but this can be "
+                    "%s pressure coupling, but this can be "
                     "unstable for equilibration. If your system crashes, try "
                     "equilibrating first with Berendsen pressure coupling. If "
                     "you are not equilibrating the system, you can probably "
-                    "ignore this warning.");
+                    "ignore this warning.",
+                    epcoupl_names[ir->epc]);
             warning(wi,warn_buf);
         }
     }