Fix bonded tests

[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Restraints_ListedForcesTest_Ifunc_13.xml

diff --git a/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_13.xml b/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_13.xml
index f30217f41a7c94defd8977a809083785cb00b878..39502e4946ed01c5d865473c8315045ce0653eb1 100644 (file)
--- a/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_13.xml
+++ b/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_13.xml
@@ -1,38 +1,40 @@
 <?xml version="1.0"?>
 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
 <ReferenceData>
-  <FunctionType Name="ANGRES">
+  <FunctionType Name="RESTRANGLES">
     <FEP Name="No">
-      <Real Name="Epot ">2.0096189432334208</Real>
+      <Real Name="Epot ">2.0125856807485469</Real>
       <Real Name="dVdlambda ">0</Real>
-      <Vector Name="Central shift forces">
-        <Real Name="X">0</Real>
-        <Real Name="Y">0</Real>
-        <Real Name="Z">0</Real>
-      </Vector>
       <Sequence Name="Forces">
         <Int Name="Length">4</Int>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">-100</Real>
-          <Real Name="Z">0</Real>
+          <Real Name="X">23.578508969297374</Real>
+          <Real Name="Y">-65.549655712163073</Real>
+          <Real Name="Z">12.839773911655692</Real>
         </Vector>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">100</Real>
-          <Real Name="Z">0</Real>
+          <Real Name="X">-128.63262399345933</Real>
+          <Real Name="Y">100.1817148606079</Real>
+          <Real Name="Z">75.222724127191185</Real>
         </Vector>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">0</Real>
-          <Real Name="Z">-136.36363636363637</Real>
+          <Real Name="X">128.8558881888558</Real>
+          <Real Name="Y">-99.717691747554113</Real>
+          <Real Name="Z">-74.890193155125161</Real>
         </Vector>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">0</Real>
-          <Real Name="Z">136.36363636363637</Real>
+          <Real Name="X">-23.801773164693838</Real>
+          <Real Name="Y">65.085632599109289</Real>
+          <Real Name="Z">-13.172304883721727</Real>
         </Vector>
       </Sequence>
+      <Shift-Forces Name="Shift-forces">
+        <Vector Name="Central">
+          <Real Name="X">1.0658141036401503e-14</Real>
+          <Real Name="Y">0</Real>
+          <Real Name="Z">1.7763568394002505e-15</Real>
+        </Vector>
+      </Shift-Forces>
     </FEP>
   </FunctionType>
 </ReferenceData>