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Merge branch release-2021
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
energydata.cpp
diff --git
a/src/gromacs/modularsimulator/energydata.cpp
b/src/gromacs/modularsimulator/energydata.cpp
index 53f72f6090521cd66a3afbff63b719e5a911d386..3cda75f3cea59a49e5a6d861b9d8558285072894 100644
(file)
--- a/
src/gromacs/modularsimulator/energydata.cpp
+++ b/
src/gromacs/modularsimulator/energydata.cpp
@@
-154,6
+154,7
@@
void EnergyData::teardown()
{
if (inputrec_->nstcalcenergy > 0 && isMasterRank_)
{
+ energyOutput_->printEnergyConservation(fplog_, inputrec_->simulation_part, EI_MD(inputrec_->eI));
energyOutput_->printAverages(fplog_, groups_);
}
}