Use ObservablesReducer for LINCS RMSD computation

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

diff --git a/src/gromacs/mdrun/mimic.cpp b/src/gromacs/mdrun/mimic.cpp
index 82f4bf7465d23982bcd900034ced501b2194d573..96b3666369ff0775d219c8b00b1150d6aeabd5a8 100644 (file)
--- a/src/gromacs/mdrun/mimic.cpp
+++ b/src/gromacs/mdrun/mimic.cpp
@@ -357,7 +357,6 @@ void gmx::LegacySimulator::do_mimic()
                         shake_vir,
                         total_vir,
                         pres,
-                        gmx::ArrayRef<real>{},
                         &nullSignaller,
                         state->box,
                         &bSumEkinhOld,
@@ -640,7 +639,6 @@ void gmx::LegacySimulator::do_mimic()
                             nullptr,
                             nullptr,
                             nullptr,
-                            constr != nullptr ? constr->rmsdData() : gmx::ArrayRef<real>{},
                             &signaller,
                             state->box,
                             &bSumEkinhOld,