Pass restraint data structures to bonded functions

[alexxy/gromacs.git] / src / gromacs / listed_forces / listed_forces.cpp

diff --git a/src/gromacs/listed_forces/listed_forces.cpp b/src/gromacs/listed_forces/listed_forces.cpp
index d855b2e09611ddde3ecfd2e7c76915e5f62a20fe..10e54fb419a2e07a43fd4aa8d8d40de8da1cf976 100644 (file)
--- a/src/gromacs/listed_forces/listed_forces.cpp
+++ b/src/gromacs/listed_forces/listed_forces.cpp
@@ -470,6 +470,8 @@ real calc_one_bond(int                           thread,
                           &(dvdl[efptFTYPE]),
                           md,
                           fcd,
+                          nullptr,
+                          nullptr,
                           global_atom_index);
         }
         else
@@ -486,6 +488,8 @@ real calc_one_bond(int                           thread,
                                     &(dvdl[efptFTYPE]),
                                     md,
                                     fcd,
+                                    fcd->disres,
+                                    fcd->orires,
                                     global_atom_index,
                                     flavor);
         }