Merge branch 'release-4-5-patches' into rotation-4-5

[alexxy/gromacs.git] / src / mdlib / mdebin.c

diff --git a/src/mdlib/mdebin.c b/src/mdlib/mdebin.c
index 7db45ab477823d6f2f01ae825706c72d08fb0cdd..394ca899232c84da7056ea7b194111faabeed95c 100644 (file)
--- a/src/mdlib/mdebin.c
+++ b/src/mdlib/mdebin.c
@@ -235,7 +235,7 @@ t_mdebin *init_mdebin(ener_file_t fp_ene,
         else if (i == F_CONNBONDS)
             md->bEner[i] = FALSE;
         else if (i == F_COM_PULL)
-            md->bEner[i] = (ir->ePull == epullUMBRELLA || ir->ePull == epullCONST_F);
+            md->bEner[i] = (ir->ePull == epullUMBRELLA || ir->ePull == epullCONST_F || ir->bRot);
         else if (i == F_ECONSERVED)
             md->bEner[i] = ((ir->etc == etcNOSEHOOVER || ir->etc == etcVRESCALE) &&
                             (ir->epc == epcNO || ir->epc==epcMTTK));