Add gapsys softcore function.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_66.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">7.6802835669165956</Real>
5   <Real Name="ECoul ">-69.091686142388497</Real>
6   <Real Name="dVdlCoul ">52.681814591753323</Real>
7   <Real Name="dVdlVdw ">-7.1291612299081022</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-80.941829908812309</Real>
12       <Real Name="Y">-121.41274486321822</Real>
13       <Real Name="Z">154.13957273005445</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">23.571669397563412</Real>
17       <Real Name="Y">35.357504096345068</Real>
18       <Real Name="Z">47.143338795126773</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">-21.635647625670902</Real>
22       <Real Name="Y">-32.453471438506362</Real>
23       <Real Name="Z">-43.271295251341805</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">79.005808136919796</Real>
27       <Real Name="Y">118.50871220537951</Real>
28       <Real Name="Z">-158.01161627383942</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-80.941829908812309</Real>
34       <Real Name="Y">-121.41274486321822</Real>
35       <Real Name="Z">154.13957273005445</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>