Use ObservablesReducer for LINCS RMSD computation

[alexxy/gromacs.git] / src / gromacs / modularsimulator / computeglobalselement.cpp

diff --git a/src/gromacs/modularsimulator/computeglobalselement.cpp b/src/gromacs/modularsimulator/computeglobalselement.cpp
index 4c3894dd6dc2ececb8ea22121c0f9bc1f65ab5fe..6586f9a6fa5ac250cbc7b852a3a60cecd96a19b1 100644 (file)
--- a/src/gromacs/modularsimulator/computeglobalselement.cpp
+++ b/src/gromacs/modularsimulator/computeglobalselement.cpp
@@ -304,8 +304,6 @@ void ComputeGlobalsElement<algorithm>::compute(gmx::Step            step,
                     energyData_->constraintVirial(step),
                     energyData_->totalVirial(step),
                     energyData_->pressure(step),
-                    (((flags & CGLO_ENERGY) != 0) && constr_ != nullptr) ? constr_->rmsdData()
-                                                                         : gmx::ArrayRef<real>{},
                     signaller,
                     lastbox,
                     energyData_->needToSumEkinhOld(),