Fix bonded tests

[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Restraints_ListedForcesTest_Ifunc_10.xml

diff --git a/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_10.xml b/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_10.xml
index f19b507f960753e9c971217078c29a4da7a84f87..04abf07625fc73f91c9dfd7230ec2407946b269e 100644 (file)
--- a/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_10.xml
+++ b/src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_10.xml
@@ -1,38 +1,40 @@
 <?xml version="1.0"?>
 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
 <ReferenceData>
-  <FunctionType Name="ANGRES">
+  <FunctionType Name="ANGRESZ">
     <FEP Name="No">
-      <Real Name="Epot ">22.476647220921073</Real>
+      <Real Name="Epot ">18.549935855671592</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">7.7882951620165883</Real>
-          <Real Name="Y">-129.80491936694315</Real>
-          <Real Name="Z">0</Real>
+          <Real Name="X">132.6797939441548</Real>
+          <Real Name="Y">18.391258566516527</Real>
+          <Real Name="Z">119.8082176165864</Real>
         </Vector>
         <Vector>
-          <Real Name="X">-7.7882951620165883</Real>
-          <Real Name="Y">129.80491936694315</Real>
-          <Real Name="Z">0</Real>
+          <Real Name="X">-135.25485317442698</Real>
+          <Real Name="Y">13.679933665054854</Real>
+          <Real Name="Z">-53.807038702283734</Real>
         </Vector>
         <Vector>
-          <Real Name="X">7.7743014194615565</Real>
-          <Real Name="Y">-129.57169032435928</Real>
-          <Real Name="Z">-130.03814840952703</Real>
+          <Real Name="X">130.61679761937407</Real>
+          <Real Name="Y">-13.424337126362484</Real>
+          <Real Name="Z">54.248837877265515</Real>
         </Vector>
         <Vector>
-          <Real Name="X">-7.7743014194615565</Real>
-          <Real Name="Y">129.57169032435928</Real>
-          <Real Name="Z">130.03814840952703</Real>
+          <Real Name="X">-128.04173838910188</Real>
+          <Real Name="Y">-18.646855105208896</Real>
+          <Real Name="Z">-120.25001679156819</Real>
         </Vector>
       </Sequence>
+      <Shift-Forces Name="Shift-forces">
+        <Vector Name="Central">
+          <Real Name="X">0</Real>
+          <Real Name="Y">0</Real>
+          <Real Name="Z">0</Real>
+        </Vector>
+      </Shift-Forces>
     </FEP>
   </FunctionType>
 </ReferenceData>