src/gromacs/gmxpreprocess/tests/refdata/SolvateTest_update_Topology_Works.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <OutputFiles Name="Files">
   5     <File Name="-o">
   6       <GroFile Name="Header">
   7         <String Name="Title">Test system for solvate</String>
   8         <Int Name="Number of atoms">12141</Int>
   9       </GroFile>
  10     </File>
  11     <File Name="-p">
  12       <String Name="Contents"><![CDATA[
  13 [ system ]
  14 ; Name
  15 simple system in water
  16
  17 [ molecules ]
  18 ; Compound  #mols
  19 A         1
  20 B         1
  21 HOH              1876
  22 SOL              2169
  23 ]]></String>
  24     </File>
  25   </OutputFiles>
  26 </ReferenceData>