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

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <String Name="CommandLine">-trestart 200 -type x -sel 0 -maxtau 5</String>
   5   <OutputFiles Name="Files">
   6     <File Name="-o">
   7       <XvgLegend Name="DiffusionCoefficient"></XvgLegend>
   8       <XvgLegend Name="Legend">
   9         <String>title "Mean Squared Displacement"</String>
  10         <String>xaxis  label "tau (ps)"</String>
  11         <String>yaxis  label "MSD (nm\\S2\\N)"</String>
  12         <String>TYPE xy</String>
  13         <String>s0 legend "D[ particles] = 8.0000 (+/- 0.0000) (1e-5 cm^2/s)"</String>
  14       </XvgLegend>
  15       <XvgData Name="Data">
  16         <Sequence Name="Row0">
  17           <Int Name="Length">2</Int>
  18           <Real>0.000</Real>
  19           <Real>0</Real>
  20         </Sequence>
  21         <Sequence Name="Row1">
  22           <Int Name="Length">2</Int>
  23           <Real>1.000</Real>
  24           <Real>0.016</Real>
  25         </Sequence>
  26         <Sequence Name="Row2">
  27           <Int Name="Length">2</Int>
  28           <Real>2.000</Real>
  29           <Real>0.032</Real>
  30         </Sequence>
  31         <Sequence Name="Row3">
  32           <Int Name="Length">2</Int>
  33           <Real>3.000</Real>
  34           <Real>0.048</Real>
  35         </Sequence>
  36         <Sequence Name="Row4">
  37           <Int Name="Length">2</Int>
  38           <Real>4.000</Real>
  39           <Real>0.064</Real>
  40         </Sequence>
  41         <Sequence Name="Row5">
  42           <Int Name="Length">2</Int>
  43           <Real>5.000</Real>
  44           <Real>0.08</Real>
  45         </Sequence>
  46       </XvgData>
  47     </File>
  48   </OutputFiles>
  49 </ReferenceData>