Add end-to-end tests of energy minimization

[alexxy/gromacs.git] / src / programs / mdrun / tests / refdata / MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.xml

<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
<ReferenceData>
  <Simulation Name="argon12">
    <Minimizer Name="steep">
      <Energy Name="Potential">
        <Real Name="Time 0.000000 Step 0 in frame 0">-0.97425707583544685</Real>
      </Energy>
    </Minimizer>
  </Simulation>
</ReferenceData>