Use ObservablesReducer for LINCS RMSD computation

[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 1d25bc85c5ec18ec8fe56a899eadab3df71d3b13..c56dcf430fff875729be799d77c9bd84d68790c1 100644 (file)
--- a/src/gromacs/mdlib/md_support.cpp
+++ b/src/gromacs/mdlib/md_support.cpp
@@ -299,7 +299,6 @@ void compute_globals(gmx_global_stat*               gstat,
                      tensor                         shake_vir,
                      tensor                         total_vir,
                      tensor                         pres,
-                     gmx::ArrayRef<real>            constraintsRmsdData,
                      gmx::SimulationSignaller*      signalCoordinator,
                      const matrix                   lastbox,
                      gmx_bool*                      bSumEkinhOld,
@@ -369,7 +368,6 @@ void compute_globals(gmx_global_stat*               gstat,
                             shake_vir,
                             *ir,
                             ekind,
-                            constraintsRmsdData,
                             bStopCM ? vcm : nullptr,
                             signalBuffer,
                             *bSumEkinhOld,