Add lambda state to dhdl.xvg with AWH fep

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

diff --git a/src/gromacs/modularsimulator/energydata.cpp b/src/gromacs/modularsimulator/energydata.cpp
index fd24ac18ac6662177a3efc57913870e670e1be7e..8999abfc39920ba6f6549697776a673732d31157 100644 (file)
--- a/src/gromacs/modularsimulator/energydata.cpp
+++ b/src/gromacs/modularsimulator/energydata.cpp
@@ -259,7 +259,6 @@ void EnergyData::doStep(Step step, Time time, bool isEnergyCalculationStep, bool
             mdAtoms_->mdatoms()->tmass,
             enerd_,
             inputrec_->fepvals.get(),
-            inputrec_->expandedvals.get(),
             statePropagatorData_->constPreviousBox(),
             PTCouplingArrays({ parrinelloRahmanBoxVelocities_ ? parrinelloRahmanBoxVelocities_() : nullMatrix,
                                {},