Rmove dependency on Constraints object from compute_globals(...)

[alexxy/gromacs.git] / src / gromacs / mdlib / md_support.cpp

diff --git a/src/gromacs/mdlib/md_support.cpp b/src/gromacs/mdlib/md_support.cpp
index 1f88c871db38f9bda00681e03ced3ffbf632082a..1455e0eeb570d36e6583decf6a4f16b4674d7967 100644 (file)
--- a/src/gromacs/mdlib/md_support.cpp
+++ b/src/gromacs/mdlib/md_support.cpp
@@ -297,7 +297,7 @@ void compute_globals(gmx_global_stat*               gstat,
                      tensor                         shake_vir,
                      tensor                         total_vir,
                      tensor                         pres,
-                     gmx::Constraints*              constr,
+                     gmx::ArrayRef<real>            constraintsRmsdData,
                      gmx::SimulationSignaller*      signalCoordinator,
                      const matrix                   lastbox,
                      int*                           totalNumberOfBondedInteractions,
@@ -366,7 +366,7 @@ void compute_globals(gmx_global_stat*               gstat,
                             shake_vir,
                             ir,
                             ekind,
-                            constr,
+                            constraintsRmsdData,
                             bStopCM ? vcm : nullptr,
                             signalBuffer.size(),
                             signalBuffer.data(),