corrected volume with serial NPT replica exchange

Replica exchange with replicas run in serial would only update
x and v, not the other state data. This gave incorrect volumes
with NPT replica exchange.
Fixes #1362

Change-Id: Ib726fbb75e800c624ef61f31e76a5d4a4e408b9c

diff --git a/src/kernel/repl_ex.c b/src/kernel/repl_ex.c
index 60cd71848a783e2395493ef9bd3b75d3fdfd9a95..3bbb3f94ef4b0304e48cc62c7960ac130487625a 100644 (file)
--- a/src/kernel/repl_ex.c
+++ b/src/kernel/repl_ex.c
@@ -1343,6 +1343,10 @@ gmx_bool replica_exchange(FILE *fplog, const t_commrec *cr, struct gmx_repl_ex *
                 pd_collect_state(cr, state);
             }
         }
+        else
+        {
+            copy_state_nonatomdata(state_local, state);
+        }
 
         if (MASTER(cr))
         {