src/programs/mdrun/tests/refdata/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Simulation Name="alanine_vsite_vacuo">
   5     <Minimizer Name="cg">
   6       <Energy Name="Potential">
   7         <Real Name="Time 0.000000 Step 0 in frame 0">-133.03444555671706</Real>
   8         <Real Name="Time 0.000000 Step 0 in frame 1">-147.76071249343909</Real>
   9         <Real Name="Time 4.000000 Step 4 in frame 2">-169.41077894123521</Real>
  10       </Energy>
  11     </Minimizer>
  12   </Simulation>
  13 </ReferenceData>