src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolumeSelection.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <String Name="CommandLine">freevolume -select 'not resname = CO2' -seed 17</String>
   5   <OutputData Name="Data">
   6     <AnalysisData Name="freevolume">
   7       <DataFrame Name="Frame0">
   8         <Real Name="X">0.000000</Real>
   9         <Sequence Name="Y">
  10           <Int Name="Length">2</Int>
  11           <DataValue>
  12             <Real Name="Value">38.779182</Real>
  13           </DataValue>
  14           <DataValue>
  15             <Real Name="Value">68.921501</Real>
  16           </DataValue>
  17         </Sequence>
  18       </DataFrame>
  19     </AnalysisData>
  20   </OutputData>
  21 </ReferenceData>