From: Erik Lindahl <erik@kth.se>
Date: Sun, 26 Jul 2015 17:32:49 +0000 (+0200)
Subject: Merge branch release-5-1
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=112241dea82b19d0a265556bd554fd8a84b60ded;hp=86f86f19d985cd5516b5f8bd5d3dab4760d4b573;p=alexxy%2Fgromacs.git

Merge branch release-5-1

No conflicts.

Change-Id: Ia0b6529e06e5f2a9c3c1bb49dd31870df7d4cea0
---

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index cef361bfd6..437f1a3b56 100644
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -1249,7 +1249,9 @@ void upd_mdebin(t_mdebin       *md,
             {
                 fprintf(md->fp_dhdl, " %#.8g", md->dE[i]);
             }
-            if ((md->epc != epcNO)  &&
+            if (md->bDynBox &&
+                md->bDiagPres &&
+                (md->epc != epcNO) &&
                 (enerd->n_lambda > 0) &&
                 (fep->init_lambda < 0))
             {