Merge branch release-5-0 into release-5-1

Conflicts:
	CMakeLists.txt
Version numbering management code has moved to new home, nothing
needs to change here from the bumps to numbering in release-5-0
branch.

Change-Id: I8e45709c83d5c181900cca50b2ccba489630bbe7

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index cef361bfd6f67d066eb3c1c7f08ad37998e320dc..437f1a3b56e38aba8f8174d60822b052e844274b 100644 (file)
--- 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))
             {