src/programs/mdrun/tests/refdata/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Simulation Name="glycine_vacuo">
   5     <Minimizer Name="steep">
   6       <Energy Name="Potential">
   7         <Real Name="Time 0.000000 Step 0 in frame 0">2188.6237283779924</Real>
   8         <Real Name="Time 1.000000 Step 1 in frame 1">1675.0453968909394</Real>
   9         <Real Name="Time 2.000000 Step 2 in frame 2">1195.8320909425499</Real>
  10         <Real Name="Time 3.000000 Step 3 in frame 3">739.9882578718873</Real>
  11         <Real Name="Time 4.000000 Step 4 in frame 4">319.37689975152063</Real>
  12       </Energy>
  13     </Minimizer>
  14   </Simulation>
  15 </ReferenceData>