src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_31.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Real Name="EVdw ">5.853205445506128</Real>
   5   <Real Name="ECoul ">-61.20791980865792</Real>
   6   <Real Name="dVdlCoul ">60.447382846936364</Real>
   7   <Real Name="dVdlVdw ">-5.8511380489996379</Real>
   8   <Sequence Name="Forces">
   9     <Int Name="Length">4</Int>
  10     <Vector>
  11       <Real Name="X">-78.08963814735273</Real>
  12       <Real Name="Y">-117.13445722102884</Real>
  13       <Real Name="Z">418.05392210960792</Real>
  14     </Vector>
  15     <Vector>
  16       <Real Name="X">-43.832993611765417</Real>
  17       <Real Name="Y">-65.749490417648033</Real>
  18       <Real Name="Z">-87.665987223530735</Real>
  19     </Vector>
  20     <Vector>
  21       <Real Name="X">-21.635667841960316</Real>
  22       <Real Name="Y">-32.453501762940483</Real>
  23       <Real Name="Z">-43.271335683920633</Real>
  24     </Vector>
  25     <Vector>
  26       <Real Name="X">143.55829960107846</Real>
  27       <Real Name="Y">215.33744940161736</Real>
  28       <Real Name="Z">-287.11659920215658</Real>
  29     </Vector>
  30   </Sequence>
  31   <Shift-Forces Name="Shift-forces">
  32     <Vector Name="Central">
  33       <Real Name="X">-78.08963814735273</Real>
  34       <Real Name="Y">-117.13445722102884</Real>
  35       <Real Name="Z">418.05392210960792</Real>
  36     </Vector>
  37   </Shift-Forces>
  38 </ReferenceData>