Remove group scheme search code

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

diff --git a/src/gromacs/mdrun/runner.cpp b/src/gromacs/mdrun/runner.cpp
index 97406657aa8ad7e85db1bb1003e56feee93029ef..46fd316caba3c1c42ef684ee37e30f4393300887 100644 (file)
--- a/src/gromacs/mdrun/runner.cpp
+++ b/src/gromacs/mdrun/runner.cpp
@@ -1595,7 +1595,7 @@ int Mdrunner::mdrunner()
     free_gpu_resources(fr, physicalNodeComm);
     free_gpu(nonbondedDeviceInfo);
     free_gpu(pmeDeviceInfo);
-    done_forcerec(fr, mtop.molblock.size(), mtop.groups.groups[SimulationAtomGroupType::EnergyOutput].nr);
+    done_forcerec(fr, mtop.molblock.size());
     sfree(fcd);
 
     if (doMembed)