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

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

diff --git a/src/gromacs/mdrun/mimic.cpp b/src/gromacs/mdrun/mimic.cpp
index 38d0d6ef3373c918f67f4dbc2e437645a61a0348..970bb40afe3fd60c5ebc37d3ad06fb0559e8fc8c 100644 (file)
--- a/src/gromacs/mdrun/mimic.cpp
+++ b/src/gromacs/mdrun/mimic.cpp
@@ -364,7 +364,7 @@ void gmx::LegacySimulator::do_mimic()
                         shake_vir,
                         total_vir,
                         pres,
-                        constr,
+                        gmx::ArrayRef<real>{},
                         &nullSignaller,
                         state->box,
                         &totalNumberOfBondedInteractions,
@@ -652,7 +652,7 @@ void gmx::LegacySimulator::do_mimic()
                             nullptr,
                             nullptr,
                             nullptr,
-                            constr,
+                            constr != nullptr ? constr->rmsdData() : gmx::ArrayRef<real>{},
                             &signaller,
                             state->box,
                             &totalNumberOfBondedInteractions,