COM pulling options per coord, improved cylinder

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

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index 84b1db0f3d12f3329f77a1eadbdab3da1d902420..d46d50f63772830550cdc198011d221c38e6d87d 100644 (file)
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -291,7 +291,7 @@ t_mdebin *init_mdebin(ener_file_t       fp_ene,
         }
         else if (i == F_COM_PULL)
         {
-            md->bEner[i] = (ir->ePull == epullUMBRELLA || ir->ePull == epullCONST_F || ir->bRot);
+            md->bEner[i] = (ir->bPull && ir->pull->bPotential);
         }
         else if (i == F_ECONSERVED)
         {