Enable splitting of listed interaction calculation

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

diff --git a/src/gromacs/modularsimulator/simulatoralgorithm.cpp b/src/gromacs/modularsimulator/simulatoralgorithm.cpp
index 25d5e018c8184e1f8fa05961784f941c5af5f594..44886b83ca1c2280eaa92ee2df97b08ca00774c2 100644 (file)
--- a/src/gromacs/modularsimulator/simulatoralgorithm.cpp
+++ b/src/gromacs/modularsimulator/simulatoralgorithm.cpp
@@ -408,7 +408,7 @@ ModularSimulatorAlgorithmBuilder::ModularSimulatorAlgorithmBuilder(
             statePropagatorData_.get(), freeEnergyPerturbationData_.get(),
             legacySimulatorData->top_global, legacySimulatorData->inputrec, legacySimulatorData->mdAtoms,
             legacySimulatorData->enerd, legacySimulatorData->ekind, legacySimulatorData->constr,
-            legacySimulatorData->fplog, &legacySimulatorData->fr->listedForces->fcdata(),
+            legacySimulatorData->fplog, legacySimulatorData->fr->fcdata.get(),
             legacySimulatorData->mdModulesNotifier, MASTER(legacySimulatorData->cr),
             legacySimulatorData->observablesHistory, legacySimulatorData->startingBehavior);
 }