Add gapsys softcore function.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_53.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">5.4343542982235178</Real>
5   <Real Name="ECoul ">-17.366932205547741</Real>
6   <Real Name="dVdlCoul ">188.52893909837877</Real>
7   <Real Name="dVdlVdw ">-5.4343542982235178</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-177.92873649694485</Real>
12       <Real Name="Y">-266.89310474541685</Real>
13       <Real Name="Z">503.86137895762681</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-51.963391757537998</Real>
17       <Real Name="Y">-77.94508763630688</Real>
18       <Real Name="Z">-103.92678351507588</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">14.962415266603566</Real>
22       <Real Name="Y">22.443622899905357</Real>
23       <Real Name="Z">29.924830533207132</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">214.92971298787927</Real>
27       <Real Name="Y">322.39456948181839</Real>
28       <Real Name="Z">-429.85942597575803</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-177.92873649694485</Real>
34       <Real Name="Y">-266.89310474541685</Real>
35       <Real Name="Z">503.86137895762681</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>