X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmodularsimulator%2Fenergydata.cpp;h=8999abfc39920ba6f6549697776a673732d31157;hb=f25c404f340028dafc8446cf07d556d02b476b60;hp=fd24ac18ac6662177a3efc57913870e670e1be7e;hpb=0a8eeb13f2ba12ebcac6bddb2e3471f3b2a644f5;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/modularsimulator/energydata.cpp b/src/gromacs/modularsimulator/energydata.cpp
index fd24ac18ac..8999abfc39 100644
--- 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,
                                {},