Use ObservablesReducer for LINCS RMSD computation

[alexxy/gromacs.git] / src / gromacs / mdrun / rerun.cpp

diff --git a/src/gromacs/mdrun/rerun.cpp b/src/gromacs/mdrun/rerun.cpp
index 14eb21ffad675179f26ea0bbdef019b48d140b4d..3ee37edb73684a536091234b68cba7c93d402561 100644 (file)
--- a/src/gromacs/mdrun/rerun.cpp
+++ b/src/gromacs/mdrun/rerun.cpp
@@ -406,7 +406,6 @@ void gmx::LegacySimulator::do_rerun()
                         shake_vir,
                         total_vir,
                         pres,
-                        gmx::ArrayRef<real>{},
                         &nullSignaller,
                         state->box,
                         &bSumEkinhOld,
@@ -755,7 +754,6 @@ void gmx::LegacySimulator::do_rerun()
                             shake_vir,
                             total_vir,
                             pres,
-                            constr != nullptr ? constr->rmsdData() : gmx::ArrayRef<real>{},
                             &signaller,
                             state->box,
                             &bSumEkinhOld,