Refactored pull data structures

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

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index d46d50f63772830550cdc198011d221c38e6d87d..cef361bfd6f67d066eb3c1c7f08ad37998e320dc 100644 (file)
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -57,6 +57,7 @@
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/mdebin_bar.h"
 #include "gromacs/pbcutil/pbc.h"
+#include "gromacs/pulling/pull.h"
 #include "gromacs/topology/mtop_util.h"
 #include "gromacs/utility/smalloc.h"
 
@@ -291,7 +292,7 @@ t_mdebin *init_mdebin(ener_file_t       fp_ene,
         }
         else if (i == F_COM_PULL)
         {
-            md->bEner[i] = (ir->bPull && ir->pull->bPotential);
+            md->bEner[i] = (ir->bPull && pull_have_potential(ir->pull_work));
         }
         else if (i == F_ECONSERVED)
         {