Compute correct dV/dl when nstcalcenergy % nstdhdl != 0

author Berk Hess <hess@kth.se>

Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)

committer Berk Hess <hess@kth.se>

Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)
author Berk Hess <hess@kth.se>
Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)
committer Berk Hess <hess@kth.se>
Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)
diff --git a/docs/release-notes/2022/major/bugs-fixed.rst b/docs/release-notes/2022/major/bugs-fixed.rst

index 6a68e9674ff591d47fda2316dd49bf26138eed99..510658b250fdec3902a5aa6eec6375becababd18 100644 (file)
--- a/docs/release-notes/2022/major/bugs-fixed.rst
+++ b/docs/release-notes/2022/major/bugs-fixed.rst
@@ -13,6 +13,13 @@ undetectable.
  
  :issue:`3866`
  
  
  :issue:`3866`
  
+Correct dVremain/dl when nstdhdl > nstcalcenergy
+""""""""""""""""""""""""""""""""""""""""""""""""
+
+When nstcalcenergy was not a multiple of nstdhdl, incorrect dVremain/dl
+terms were written in the energy file. Note that all dH/dl output in
+both dhdl.xvg and the energy file, which is used by e.g. gmx bar, was correct.
+
  .. Note to developers!
     Please use """"""" to underline the individual entries for fixed issues in the subfolders,
     otherwise the formatting on the webpage is messed up.
  .. Note to developers!
     Please use """"""" to underline the individual entries for fixed issues in the subfolders,
     otherwise the formatting on the webpage is messed up.
diff --git a/src/gromacs/mdrun/md.cpp b/src/gromacs/mdrun/md.cpp

index 7caa1dc7085974e96ab24c936eb9ca5d4c344d84..687760caa71e45b43befc5a654a676075f12b724 100644 (file)
--- a/src/gromacs/mdrun/md.cpp
+++ b/src/gromacs/mdrun/md.cpp
@@ -171,7 +171,7 @@ void gmx::LegacySimulator::do_md()
      double       t, t0 = ir->init_t;
      gmx_bool     bGStatEveryStep, bGStat, bCalcVir, bCalcEnerStep, bCalcEner;
      gmx_bool     bNS = FALSE, bNStList, bStopCM, bFirstStep, bInitStep, bLastStep = FALSE;
      double       t, t0 = ir->init_t;
      gmx_bool     bGStatEveryStep, bGStat, bCalcVir, bCalcEnerStep, bCalcEner;
      gmx_bool     bNS = FALSE, bNStList, bStopCM, bFirstStep, bInitStep, bLastStep = FALSE;
-    gmx_bool     bDoDHDL = FALSE, bDoFEP = FALSE, bDoExpanded = FALSE;
+    gmx_bool     bDoExpanded = FALSE;
      gmx_bool     do_ene, do_log, do_verbose;
      gmx_bool     bMasterState;
      unsigned int force_flags;
      gmx_bool     do_ene, do_log, do_verbose;
      gmx_bool     bMasterState;
      unsigned int force_flags;
@@ -896,8 +896,6 @@ void gmx::LegacySimulator::do_md()
              /* find and set the current lambdas */
              state->lambda = currentLambdas(step, *(ir->fepvals), state->fep_state);
  
              /* find and set the current lambdas */
              state->lambda = currentLambdas(step, *(ir->fepvals), state->fep_state);
  
-            bDoDHDL = do_per_step(step, ir->fepvals->nstdhdl);
-            bDoFEP  = ((ir->efep != FreeEnergyPerturbationType::No) && do_per_step(step, nstfep));
              bDoExpanded = (do_per_step(step, ir->expandedvals->nstexpanded) && (ir->bExpanded)
                             && (!bFirstStep));
          }
              bDoExpanded = (do_per_step(step, ir->expandedvals->nstexpanded) && (ir->bExpanded)
                             && (!bFirstStep));
          }
@@ -1111,13 +1109,17 @@ void gmx::LegacySimulator::do_md()
              bCalcEner = TRUE;
          }
  
              bCalcEner = TRUE;
          }
  
+        // bCalcEner is only here for when the last step is not a mulitple of nstfep
+        const bool computeDHDL = ((ir->efep != FreeEnergyPerturbationType::No || ir->bSimTemp)
+                                  && (do_per_step(step, nstfep) || bCalcEner));
+
          /* Do we need global communication ? */
          bGStat = (bCalcVir || bCalcEner || bStopCM || do_per_step(step, nstglobalcomm)
                    || (EI_VV(ir->eI) && inputrecNvtTrotter(ir) && do_per_step(step - 1, nstglobalcomm)));
  
          force_flags = (GMX_FORCE_STATECHANGED | ((inputrecDynamicBox(ir)) ? GMX_FORCE_DYNAMICBOX : 0)
                         | GMX_FORCE_ALLFORCES | (bCalcVir ? GMX_FORCE_VIRIAL : 0)
          /* Do we need global communication ? */
          bGStat = (bCalcVir || bCalcEner || bStopCM || do_per_step(step, nstglobalcomm)
                    || (EI_VV(ir->eI) && inputrecNvtTrotter(ir) && do_per_step(step - 1, nstglobalcomm)));
  
          force_flags = (GMX_FORCE_STATECHANGED | ((inputrecDynamicBox(ir)) ? GMX_FORCE_DYNAMICBOX : 0)
                         | GMX_FORCE_ALLFORCES | (bCalcVir ? GMX_FORCE_VIRIAL : 0)
-                       | (bCalcEner ? GMX_FORCE_ENERGY : 0) | (bDoFEP ? GMX_FORCE_DHDL : 0));
+                       | (bCalcEner ? GMX_FORCE_ENERGY : 0) | (computeDHDL ? GMX_FORCE_DHDL : 0));
          if (simulationWork.useMts && !do_per_step(step, ir->nstfout))
          {
              // TODO: merge this with stepWork.useOnlyMtsCombinedForceBuffer
          if (simulationWork.useMts && !do_per_step(step, ir->nstfout))
          {
              // TODO: merge this with stepWork.useOnlyMtsCombinedForceBuffer
@@ -1842,7 +1844,9 @@ void gmx::LegacySimulator::do_md()
              }
              if (bCalcEner)
              {
              }
              if (bCalcEner)
              {
-                energyOutput.addDataAtEnergyStep(bDoDHDL,
+                const bool outputDHDL = (computeDHDL && do_per_step(step, ir->fepvals->nstdhdl));
+
+                energyOutput.addDataAtEnergyStep(outputDHDL,
                                                   bCalcEnerStep,
                                                   t,
                                                   md->tmass,
                                                   bCalcEnerStep,
                                                   t,
                                                   md->tmass,
diff --git a/src/gromacs/mdrunutility/freeenergy.cpp b/src/gromacs/mdrunutility/freeenergy.cpp

index 61466cff4ed934e54e8aaf5f45d3f8df7dc7d3d6..6b7ad3a3b0dd8ece242ebae3021b2740ca5bf34d 100644 (file)
--- a/src/gromacs/mdrunutility/freeenergy.cpp
+++ b/src/gromacs/mdrunutility/freeenergy.cpp
@@ -61,9 +61,13 @@ int computeFepPeriod(const t_inputrec& inputrec, const ReplicaExchangeParameters
      }
  
      // Set free energy calculation period as the greatest common
      }
  
      // Set free energy calculation period as the greatest common
-    // denominator of nstdhdl, nstexpanded, replica exchange interval,
+    // denominator of nstdhdl, nstcalcenergy, nstexpanded, replica exchange interval,
      // and AWH nstSampleCoord.
      int nstfep = inputrec.fepvals->nstdhdl;
      // and AWH nstSampleCoord.
      int nstfep = inputrec.fepvals->nstdhdl;
+    if (inputrec.nstcalcenergy > 0)
+    {
+        nstfep = std::gcd(inputrec.nstcalcenergy, nstfep);
+    }
      if (inputrec.bExpanded)
      {
          nstfep = std::gcd(inputrec.expandedvals->nstexpanded, nstfep);
      if (inputrec.bExpanded)
      {
          nstfep = std::gcd(inputrec.expandedvals->nstexpanded, nstfep);
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d.xml

index fefb6752ebf75eaad4b3476229e65684290a18b3..ef18e1054e5810a418a123e0581aeb394a75c5c0 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d.xml
@@ -24,29 +24,6 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">30.810368968245555</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">30.091952842926048</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">30.810368968245555</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">30.091952842926048</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.918582136826871</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-78.124028618156075</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-78.494137096512077</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-79.031570998273594</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-79.737380506903918</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-80.609921965073937</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-81.641203629735571</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-82.812078546976551</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-84.088865310692285</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-85.423667967862372</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-86.759022507510224</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-88.035827369731862</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-89.202559066450505</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-90.223739445468937</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-91.086115035376309</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-91.801438920119665</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-92.405181063462749</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-92.950836665173227</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-93.500176168343785</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-94.110809201461151</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1525.248411374062</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1525.0825593635209</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1525.248411374062</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1525.0825593635209</Real>
@@ -70,6 +47,29 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1464.4471138446297</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1465.9785237943797</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1464.4471138446297</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1465.9785237943797</Real>
    </Energy>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.918582136826871</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-78.124028618156075</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-78.494137096512077</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-79.031570998273594</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-79.737380506903918</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-80.609921965073937</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-81.641203629735571</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-82.812078546976551</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-84.088865310692285</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-85.423667967862372</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-86.759022507510224</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-88.035827369731862</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-89.202559066450505</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-90.223739445468937</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-91.086115035376309</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-91.801438920119665</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-92.405181063462749</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-92.950836665173227</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-93.500176168343785</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-94.110809201461151</Real>
+  </Energy>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s.xml

index 89daaccab65a24589b48cffc89e663aec6b544c3..e2bc3fb357f082ea3c20cbaf1f73ace81daf9bc0 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s.xml
@@ -24,29 +24,6 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">30.810646</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">30.092226</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">30.810646</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">30.092226</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.918587</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-78.123314</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-78.493698</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-79.030884</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-79.736992</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-80.609894</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-81.641418</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-82.811539</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-84.088631</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-85.423309</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-86.759109</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-88.036163</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-89.202881</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-90.223831</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-91.08606</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-91.802109</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-92.405746</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-92.950943</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-93.500961</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-94.111801</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1525.2646</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1525.0984</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1525.2646</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1525.0984</Real>
@@ -70,892 +47,27 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1464.4622</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1465.9945</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1464.4622</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1465.9945</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">599.66528</Real>
-      <Real Name="Y">-789.44562</Real>
-      <Real Name="Z">-85.737778</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-165.11247</Real>
-      <Real Name="Y">-249.46057</Real>
-      <Real Name="Z">33.569336</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-450.1994</Real>
-      <Real Name="Y">276.42099</Real>
-      <Real Name="Z">-221.56969</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-128.37119</Real>
-      <Real Name="Y">187.52614</Real>
-      <Real Name="Z">30.099119</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">914.44623</Real>
-      <Real Name="Y">783.73859</Real>
-      <Real Name="Z">-20.484112</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-105.63852</Real>
-      <Real Name="Y">193.12509</Real>
-      <Real Name="Z">-234.33603</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1202.8019</Real>
-      <Real Name="Y">-103.90425</Real>
-      <Real Name="Z">940.77008</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">192.58644</Real>
-      <Real Name="Y">-154.03302</Real>
-      <Real Name="Z">-462.12759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">282.3826</Real>
-      <Real Name="Y">-299.03049</Real>
-      <Real Name="Z">-66.356911</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">6.1401443</Real>
-      <Real Name="Y">-33.490257</Real>
-      <Real Name="Z">24.554802</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.7333183</Real>
-      <Real Name="Y">29.402895</Real>
-      <Real Name="Z">-14.659874</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-7.2076035</Real>
-      <Real Name="Y">15.433332</Real>
-      <Real Name="Z">-5.7955589</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-3.984848</Real>
-      <Real Name="Y">19.279953</Real>
-      <Real Name="Z">-6.2148895</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-3.230835</Real>
-      <Real Name="Y">-7.7033081</Real>
-      <Real Name="Z">4.5330448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">7.1444435</Real>
-      <Real Name="Y">-22.891417</Real>
-      <Real Name="Z">3.8408356</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.86951</Real>
-      <Real Name="Y">-59.13237</Real>
-      <Real Name="Z">-670.26263</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-396.02078</Real>
-      <Real Name="Y">36.171539</Real>
-      <Real Name="Z">385.30988</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.6104279</Real>
-      <Real Name="Y">-11.415237</Real>
-      <Real Name="Z">206.51918</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">359.0834</Real>
-      <Real Name="Y">404.16077</Real>
-      <Real Name="Z">-112.61637</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-34.417107</Real>
-      <Real Name="Y">-230.0759</Real>
-      <Real Name="Z">93.073967</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.96454</Real>
-      <Real Name="Y">-578.23145</Real>
-      <Real Name="Z">256.85809</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">650.07117</Real>
-      <Real Name="Y">-499.1936</Real>
-      <Real Name="Z">-425.14249</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-114.62727</Real>
-      <Real Name="Y">124.84856</Real>
-      <Real Name="Z">76.514702</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-649.7002</Real>
-      <Real Name="Y">443.28278</Real>
-      <Real Name="Z">221.66734</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.781006</Real>
-      <Real Name="Y">282.62637</Real>
-      <Real Name="Z">55.019501</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.358116</Real>
-      <Real Name="Y">-158.43953</Real>
-      <Real Name="Z">-105.95421</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-114.21526</Real>
-      <Real Name="Y">-209.83156</Real>
-      <Real Name="Z">-134.28979</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-590.19458</Real>
-      <Real Name="Y">249.39679</Real>
-      <Real Name="Z">846.56866</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">396.16833</Real>
-      <Real Name="Y">-41.720047</Real>
-      <Real Name="Z">-873.43469</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">174.59697</Real>
-      <Real Name="Y">-183.39058</Real>
-      <Real Name="Z">-65.696205</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1102.7775</Real>
-      <Real Name="Y">569.10339</Real>
-      <Real Name="Z">881.85455</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-162.20837</Real>
-      <Real Name="Y">-842.78052</Real>
-      <Real Name="Z">-367.55264</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-842.85242</Real>
-      <Real Name="Y">326.81381</Real>
-      <Real Name="Z">-591.1051</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">365.26489</Real>
-      <Real Name="Y">749.39349</Real>
-      <Real Name="Z">138.22836</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.044109</Real>
-      <Real Name="Y">-647.12854</Real>
-      <Real Name="Z">-49.255638</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-94.231606</Real>
-      <Real Name="Y">-129.66402</Real>
-      <Real Name="Z">-34.176052</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">32.838226</Real>
-      <Real Name="Y">-161.75587</Real>
-      <Real Name="Z">-904.25763</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.23129</Real>
-      <Real Name="Y">41.078434</Real>
-      <Real Name="Z">266.30493</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">384.25595</Real>
-      <Real Name="Y">-7.3632507</Real>
-      <Real Name="Z">682.93738</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">121.4017</Real>
-      <Real Name="Y">49.980804</Real>
-      <Real Name="Z">-862.30389</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-263.69293</Real>
-      <Real Name="Y">160.94006</Real>
-      <Real Name="Z">484.38959</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">9.5569305</Real>
-      <Real Name="Y">-196.69731</Real>
-      <Real Name="Z">167.59607</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-639.63373</Real>
-      <Real Name="Y">69.017532</Real>
-      <Real Name="Z">365.01788</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">546.63702</Real>
-      <Real Name="Y">-57.677101</Real>
-      <Real Name="Z">-10.672101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">141.84175</Real>
-      <Real Name="Y">-27.191811</Real>
-      <Real Name="Z">-246.2094</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-100.70122</Real>
-      <Real Name="Y">36.045456</Real>
-      <Real Name="Z">360.78549</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">244.54025</Real>
-      <Real Name="Y">-4.8426361</Real>
-      <Real Name="Z">-127.42924</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">56.342514</Real>
-      <Real Name="Y">-113.62152</Real>
-      <Real Name="Z">-114.04127</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-338.24884</Real>
-      <Real Name="Y">-2032.7753</Real>
-      <Real Name="Z">-703.48566</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">332.58862</Real>
-      <Real Name="Y">1309.0573</Real>
-      <Real Name="Z">324.7132</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">274.43466</Real>
-      <Real Name="Y">405.14215</Real>
-      <Real Name="Z">72.871353</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">444.82458</Real>
-      <Real Name="Y">1024.4498</Real>
-      <Real Name="Z">-839.75104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-157.34293</Real>
-      <Real Name="Y">-543.42224</Real>
-      <Real Name="Z">228.31209</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-286.54129</Real>
-      <Real Name="Y">-412.26746</Real>
-      <Real Name="Z">553.85535</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">51.171143</Real>
-      <Real Name="Y">94.10833</Real>
-      <Real Name="Z">1.8887901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.809124</Real>
-      <Real Name="Y">-41.415657</Real>
-      <Real Name="Z">-1.8277617</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.258768</Real>
-      <Real Name="Y">-30.904259</Real>
-      <Real Name="Z">10.073853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.90063</Real>
-      <Real Name="Y">975.09003</Real>
-      <Real Name="Z">405.9978</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">612.23328</Real>
-      <Real Name="Y">-687.55365</Real>
-      <Real Name="Z">-457.87106</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">39.639423</Real>
-      <Real Name="Y">-155.08127</Real>
-      <Real Name="Z">-20.219311</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">245.15596</Real>
-      <Real Name="Y">-469.85022</Real>
-      <Real Name="Z">-1398.0934</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-76.322693</Real>
-      <Real Name="Y">340.41776</Real>
-      <Real Name="Z">1038.1437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-373.03137</Real>
-      <Real Name="Y">24.000935</Real>
-      <Real Name="Z">222.23291</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">181.82599</Real>
-      <Real Name="Y">-125.39177</Real>
-      <Real Name="Z">-119.56694</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-86.637161</Real>
-      <Real Name="Y">126.63292</Real>
-      <Real Name="Z">74.149368</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-63.870872</Real>
-      <Real Name="Y">41.511715</Real>
-      <Real Name="Z">151.88623</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">330.09677</Real>
-      <Real Name="Y">-340.53506</Real>
-      <Real Name="Z">-69.700348</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.47961</Real>
-      <Real Name="Y">415.31592</Real>
-      <Real Name="Z">94.901894</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-103.43569</Real>
-      <Real Name="Y">68.48262</Real>
-      <Real Name="Z">38.340366</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">796.4538</Real>
-      <Real Name="Y">-867.43793</Real>
-      <Real Name="Z">-491.37979</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-355.24631</Real>
-      <Real Name="Y">324.9202</Real>
-      <Real Name="Z">569.43988</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-357.68066</Real>
-      <Real Name="Y">862.52191</Real>
-      <Real Name="Z">114.71693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.8463516</Real>
-      <Real Name="Y">-8.8901978</Real>
-      <Real Name="Z">3.4024582</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.46365166</Real>
-      <Real Name="Y">5.8056717</Real>
-      <Real Name="Z">-0.43207932</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.620285</Real>
-      <Real Name="Y">3.7745323</Real>
-      <Real Name="Z">-3.8265266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-388.64661</Real>
-      <Real Name="Y">864.46527</Real>
-      <Real Name="Z">241.60117</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">284.96515</Real>
-      <Real Name="Y">-486.15344</Real>
-      <Real Name="Z">-677.65973</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-319.14352</Real>
-      <Real Name="Y">-446.4856</Real>
-      <Real Name="Z">300.52011</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.90872</Real>
-      <Real Name="Y">25.464417</Real>
-      <Real Name="Z">-150.63272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.06683</Real>
-      <Real Name="Y">61.210426</Real>
-      <Real Name="Z">39.571358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.584198</Real>
-      <Real Name="Y">-35.130154</Real>
-      <Real Name="Z">73.548088</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-532.55835</Real>
-      <Real Name="Y">-1287.4309</Real>
-      <Real Name="Z">-326.60446</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">190.56363</Real>
-      <Real Name="Y">620.62494</Real>
-      <Real Name="Z">-282.01801</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.54196</Real>
-      <Real Name="Y">654.19672</Real>
-      <Real Name="Z">629.88391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1196.5449</Real>
-      <Real Name="Y">443.23883</Real>
-      <Real Name="Z">-794.1532</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">820.78809</Real>
-      <Real Name="Y">-311.40421</Real>
-      <Real Name="Z">572.94653</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">185.53062</Real>
-      <Real Name="Y">-31.918495</Real>
-      <Real Name="Z">40.225952</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">220.80016</Real>
-      <Real Name="Y">426.47736</Real>
-      <Real Name="Z">166.91711</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-30.688135</Real>
-      <Real Name="Y">-132.65866</Real>
-      <Real Name="Z">-72.784142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-110.54634</Real>
-      <Real Name="Y">-122.819</Real>
-      <Real Name="Z">-18.196966</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1046.8549</Real>
-      <Real Name="Y">-1077.1697</Real>
-      <Real Name="Z">-856.84955</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.21437</Real>
-      <Real Name="Y">210.81461</Real>
-      <Real Name="Z">194.85037</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">576.33301</Real>
-      <Real Name="Y">692.71161</Real>
-      <Real Name="Z">680.67407</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.82358</Real>
-      <Real Name="Y">385.53003</Real>
-      <Real Name="Z">-1021.1998</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.929909</Real>
-      <Real Name="Y">-315.53308</Real>
-      <Real Name="Z">752.41522</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.986607</Real>
-      <Real Name="Y">34.175095</Real>
-      <Real Name="Z">253.84048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.63455</Real>
-      <Real Name="Y">-515.03473</Real>
-      <Real Name="Z">-927.74969</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.86819</Real>
-      <Real Name="Y">80.805466</Real>
-      <Real Name="Z">145.19298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.64436</Real>
-      <Real Name="Y">258.38016</Real>
-      <Real Name="Z">803.24005</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-563.25543</Real>
-      <Real Name="Y">-97.633316</Real>
-      <Real Name="Z">-137.89397</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">384.15817</Real>
-      <Real Name="Y">-86.692322</Real>
-      <Real Name="Z">72.182175</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">249.70477</Real>
-      <Real Name="Y">26.183556</Real>
-      <Real Name="Z">92.113327</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">602.62756</Real>
-      <Real Name="Y">834.71289</Real>
-      <Real Name="Z">-264.96277</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-127.28015</Real>
-      <Real Name="Y">-205.22997</Real>
-      <Real Name="Z">15.862991</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-469.48383</Real>
-      <Real Name="Y">-874.80377</Real>
-      <Real Name="Z">-39.327316</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1620.0297</Real>
-      <Real Name="Y">-215.46436</Real>
-      <Real Name="Z">826.48676</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-828.24255</Real>
-      <Real Name="Y">378.35068</Real>
-      <Real Name="Z">-612.61035</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-235.54477</Real>
-      <Real Name="Y">-151.28896</Real>
-      <Real Name="Z">-333.93884</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-155.36661</Real>
-      <Real Name="Y">54.838631</Real>
-      <Real Name="Z">125.73298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">163.84279</Real>
-      <Real Name="Y">-162.27307</Real>
-      <Real Name="Z">29.681534</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">199.78683</Real>
-      <Real Name="Y">-7.0608482</Real>
-      <Real Name="Z">24.995243</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">819.8606</Real>
-      <Real Name="Y">-433.56052</Real>
-      <Real Name="Z">-61.051918</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-563.81854</Real>
-      <Real Name="Y">320.68457</Real>
-      <Real Name="Z">65.782906</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-438.63693</Real>
-      <Real Name="Y">415.3363</Real>
-      <Real Name="Z">-106.02238</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-128.81209</Real>
-      <Real Name="Y">-1826.0874</Real>
-      <Real Name="Z">30.866051</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">130.82208</Real>
-      <Real Name="Y">244.3372</Real>
-      <Real Name="Z">-31.60387</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.79926</Real>
-      <Real Name="Y">1231.0607</Real>
-      <Real Name="Z">-56.151333</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">444.7149</Real>
-      <Real Name="Y">1039.0757</Real>
-      <Real Name="Z">875.4375</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-316.3251</Real>
-      <Real Name="Y">-644.35712</Real>
-      <Real Name="Z">-597.62427</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-61.118347</Real>
-      <Real Name="Y">-239.92633</Real>
-      <Real Name="Z">-234.54068</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.60233</Real>
-      <Real Name="Y">-356.75443</Real>
-      <Real Name="Z">-437.8269</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-254.14807</Real>
-      <Real Name="Y">352.2558</Real>
-      <Real Name="Z">252.35645</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-155.10988</Real>
-      <Real Name="Y">139.90904</Real>
-      <Real Name="Z">494.03998</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">733.99982</Real>
-      <Real Name="Y">-329.26593</Real>
-      <Real Name="Z">-216.83014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-135.59769</Real>
-      <Real Name="Y">454.66699</Real>
-      <Real Name="Z">-8.4051304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-729.81018</Real>
-      <Real Name="Y">-149.13763</Real>
-      <Real Name="Z">169.20285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1101.7931</Real>
-      <Real Name="Y">1490.8157</Real>
-      <Real Name="Z">-676.02142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">178.91183</Real>
-      <Real Name="Y">-207.40578</Real>
-      <Real Name="Z">94.613853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">630.97168</Real>
-      <Real Name="Y">-958.14746</Real>
-      <Real Name="Z">444.9769</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">744.73083</Real>
-      <Real Name="Y">19.087006</Real>
-      <Real Name="Z">141.17676</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-164.20728</Real>
-      <Real Name="Y">97.164536</Real>
-      <Real Name="Z">-33.396427</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-916.78821</Real>
-      <Real Name="Y">125.11245</Real>
-      <Real Name="Z">-124.61278</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-782.60638</Real>
-      <Real Name="Y">-1260.8704</Real>
-      <Real Name="Z">103.52603</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">695.71466</Real>
-      <Real Name="Y">961.59021</Real>
-      <Real Name="Z">64.14856</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">52.193283</Real>
-      <Real Name="Y">262.62622</Real>
-      <Real Name="Z">-73.877975</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-123.11838</Real>
-      <Real Name="Y">-687.42004</Real>
-      <Real Name="Z">815.01263</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">141.29356</Real>
-      <Real Name="Y">501.02615</Real>
-      <Real Name="Z">-584.47968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-55.167038</Real>
-      <Real Name="Y">74.365921</Real>
-      <Real Name="Z">-119.77187</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">63.648689</Real>
-      <Real Name="Y">-117.68619</Real>
-      <Real Name="Z">283.99329</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-22.982372</Real>
-      <Real Name="Y">248.23776</Real>
-      <Real Name="Z">-50.688805</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-292.86185</Real>
-      <Real Name="Y">354.68918</Real>
-      <Real Name="Z">61.466476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">85.829468</Real>
-      <Real Name="Y">487.71689</Real>
-      <Real Name="Z">-76.985275</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-49.223026</Real>
-      <Real Name="Y">-181.17096</Real>
-      <Real Name="Z">69.19838</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">29.322023</Real>
-      <Real Name="Y">-193.39767</Real>
-      <Real Name="Z">30.1318</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">82.020027</Real>
-      <Real Name="Y">773.6925</Real>
-      <Real Name="Z">72.968086</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.041302</Real>
-      <Real Name="Y">-170.12675</Real>
-      <Real Name="Z">-65.025864</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-70.857193</Real>
-      <Real Name="Y">-729.27319</Real>
-      <Real Name="Z">-10.792496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.279152</Real>
-      <Real Name="Y">-726.14093</Real>
-      <Real Name="Z">-204.97104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">172.01529</Real>
-      <Real Name="Y">627.7052</Real>
-      <Real Name="Z">109.59398</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.084702</Real>
-      <Real Name="Y">178.71202</Real>
-      <Real Name="Z">41.241814</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-55.39518</Real>
-      <Real Name="Y">898.74902</Real>
-      <Real Name="Z">723.70233</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">75.323074</Real>
-      <Real Name="Y">-165.60365</Real>
-      <Real Name="Z">-174.96848</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">170.40924</Real>
-      <Real Name="Y">-685.98511</Real>
-      <Real Name="Z">-509.84503</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-287.3905</Real>
-      <Real Name="Y">317.66013</Real>
-      <Real Name="Z">-417.0358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">159.86263</Real>
-      <Real Name="Y">-261.68091</Real>
-      <Real Name="Z">437.6268</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">144.79877</Real>
-      <Real Name="Y">-124.24107</Real>
-      <Real Name="Z">88.912071</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-879.32556</Real>
-      <Real Name="Y">-115.06973</Real>
-      <Real Name="Z">-61.033722</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.70117</Real>
-      <Real Name="Y">-53.022957</Real>
-      <Real Name="Z">6.7651672</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">310.87463</Real>
-      <Real Name="Y">55.321651</Real>
-      <Real Name="Z">7.0785828</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1514.2024</Real>
-      <Real Name="Y">-279.20386</Real>
-      <Real Name="Z">-661.54224</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">291.3811</Real>
-      <Real Name="Y">-39.18541</Real>
-      <Real Name="Z">211.91287</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1065.5118</Real>
-      <Real Name="Y">346.20602</Real>
-      <Real Name="Z">337.10712</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-394.3623</Real>
-      <Real Name="Y">1468.5234</Real>
-      <Real Name="Z">329.46335</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2.2939692</Real>
-      <Real Name="Y">-745.30011</Real>
-      <Real Name="Z">-585.06238</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">365.43927</Real>
-      <Real Name="Y">-471.62317</Real>
-      <Real Name="Z">486.09906</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">202.49811</Real>
-      <Real Name="Y">435.46371</Real>
-      <Real Name="Z">127.56297</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-67.852455</Real>
-      <Real Name="Y">-122.33794</Real>
-      <Real Name="Z">-82.674789</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-224.90147</Real>
-      <Real Name="Y">-493.6763</Real>
-      <Real Name="Z">-109.64038</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1166.0264</Real>
-      <Real Name="Y">-2044.1102</Real>
-      <Real Name="Z">660.10229</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-132.72098</Real>
-      <Real Name="Y">1257.2104</Real>
-      <Real Name="Z">324.11588</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1029.0393</Real>
-      <Real Name="Y">404.56741</Real>
-      <Real Name="Z">-796.89166</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">791.56354</Real>
-      <Real Name="Y">-1315.8544</Real>
-      <Real Name="Z">-301.19534</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-250.3862</Real>
-      <Real Name="Y">689.70142</Real>
-      <Real Name="Z">27.984131</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-503.78079</Real>
-      <Real Name="Y">709.33191</Real>
-      <Real Name="Z">325.76355</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">71.341377</Real>
-      <Real Name="Y">804.25159</Real>
-      <Real Name="Z">1317.2124</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-101.43126</Real>
-      <Real Name="Y">-711.08521</Real>
-      <Real Name="Z">-1002.9359</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-102.1713</Real>
-      <Real Name="Y">26.346628</Real>
-      <Real Name="Z">-236.93565</Real>
-    </Vector>
-  </Sequence>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.918587</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-78.123314</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-78.493698</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-79.030884</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-79.736992</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-80.609894</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-81.641418</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-82.811539</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-84.088631</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-85.423309</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-86.759109</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-88.036163</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-89.202881</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-90.223831</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-91.08606</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-91.802109</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-92.405746</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-92.950943</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-93.500961</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-94.111801</Real>
+  </Energy>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d.xml

index 6a51e3a111c39cf3dbebcd7d9ce7c4f46cb4ea8e..8993d94fae08c5bbf20ae11362154e2a1afbe581 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d.xml
@@ -24,29 +24,6 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-6.7341386032752428</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-6.8309551871941947</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-6.7341386032752428</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-6.8309551871941947</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.711012001234735</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-77.492250690806941</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-77.223788930799998</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-76.92491278155066</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-76.629116727890903</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-76.3818040591011</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-76.231984705519125</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-76.21987385298425</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-76.364760653914942</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-76.657603978066106</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-77.060540493328602</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-77.512923367539287</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-77.942033603515682</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-78.276167670454242</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-78.457802813319603</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-78.454395238772634</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-78.264252790040217</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-77.915430446875618</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-77.457059694213513</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-76.944895839121145</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1465.6824123113265</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1465.6704323763943</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1465.6824123113265</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1465.6704323763943</Real>
@@ -70,6 +47,29 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1408.986184562069</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1411.9316178765794</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1408.986184562069</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1411.9316178765794</Real>
    </Energy>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.711012001234735</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-77.492250690806941</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-77.223788930799998</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-76.92491278155066</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-76.629116727890903</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-76.3818040591011</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-76.231984705519125</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-76.21987385298425</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-76.364760653914942</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-76.657603978066106</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-77.060540493328602</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-77.512923367539287</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-77.942033603515682</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-78.276167670454242</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-78.457802813319603</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-78.454395238772634</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-78.264252790040217</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-77.915430446875618</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-77.457059694213513</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-76.944895839121145</Real>
+  </Energy>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s.xml

index e2b8c95acaa02283c4dc53f554a2f9fc5a038396..f272059817af1637ef2c8aae2627a915dc814593 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s.xml
@@ -24,29 +24,6 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-6.7340264</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-6.8308268</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-6.7340264</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-6.8308268</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.710526</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-77.492188</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-77.22374</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-76.925095</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-76.629395</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-76.381966</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-76.231613</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-76.220352</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-76.364891</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-76.657516</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-77.060791</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-77.51268</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-77.941872</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-78.276093</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-78.457672</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-78.454803</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-78.264023</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-77.915649</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-77.457748</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-76.94519</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1465.6984</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1465.6885</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1465.6984</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1465.6885</Real>
@@ -70,892 +47,27 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1409.0063</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1411.9519</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1409.0063</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1411.9519</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">633.88702</Real>
-      <Real Name="Y">-773.7572</Real>
-      <Real Name="Z">-86.054512</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-173.46164</Real>
-      <Real Name="Y">-254.11159</Real>
-      <Real Name="Z">31.399275</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-460.76065</Real>
-      <Real Name="Y">273.63226</Real>
-      <Real Name="Z">-218.70953</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-124.68356</Real>
-      <Real Name="Y">188.89328</Real>
-      <Real Name="Z">21.255823</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">744.85315</Real>
-      <Real Name="Y">615.69745</Real>
-      <Real Name="Z">-32.883961</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-22.804447</Real>
-      <Real Name="Y">330.27072</Real>
-      <Real Name="Z">-154.90648</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-846.92877</Real>
-      <Real Name="Y">354.086</Real>
-      <Real Name="Z">1107.674</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-40.530876</Real>
-      <Real Name="Y">-295.73813</Real>
-      <Real Name="Z">-453.5372</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">275.31131</Real>
-      <Real Name="Y">-437.97052</Real>
-      <Real Name="Z">-229.88564</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">10.925804</Real>
-      <Real Name="Y">-30.976189</Real>
-      <Real Name="Z">20.380272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2.0141983</Real>
-      <Real Name="Y">27.856314</Real>
-      <Real Name="Z">-12.695366</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.2674408</Real>
-      <Real Name="Y">14.475534</Real>
-      <Real Name="Z">-4.0459976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.22610474</Real>
-      <Real Name="Y">23.698967</Real>
-      <Real Name="Z">-7.1104736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.8458405</Real>
-      <Real Name="Y">-9.5181484</Real>
-      <Real Name="Z">4.7690716</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.3456688</Real>
-      <Real Name="Y">-24.903942</Real>
-      <Real Name="Z">4.5986137</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.96179</Real>
-      <Real Name="Y">-59.604706</Real>
-      <Real Name="Z">-670.1571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.81146</Real>
-      <Real Name="Y">36.204243</Real>
-      <Real Name="Z">385.08865</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.8211288</Real>
-      <Real Name="Y">-11.299082</Real>
-      <Real Name="Z">206.28496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">394.35254</Real>
-      <Real Name="Y">432.302</Real>
-      <Real Name="Z">-97.789093</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-49.851814</Real>
-      <Real Name="Y">-238.51105</Real>
-      <Real Name="Z">85.78244</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-370.92975</Real>
-      <Real Name="Y">-600.14075</Real>
-      <Real Name="Z">242.79077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">643.13123</Real>
-      <Real Name="Y">-492.27921</Real>
-      <Real Name="Z">-420.98755</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.97176</Real>
-      <Real Name="Y">121.35711</Real>
-      <Real Name="Z">75.023636</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-645.06006</Real>
-      <Real Name="Y">438.33389</Real>
-      <Real Name="Z">218.99048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.026768</Real>
-      <Real Name="Y">295.72083</Real>
-      <Real Name="Z">69.88269</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.252739</Real>
-      <Real Name="Y">-163.91307</Real>
-      <Real Name="Z">-112.35473</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-116.12119</Real>
-      <Real Name="Y">-215.1304</Real>
-      <Real Name="Z">-140.17712</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-591.93005</Real>
-      <Real Name="Y">297.4751</Real>
-      <Real Name="Z">826.39581</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">397.93842</Real>
-      <Real Name="Y">-70.315125</Real>
-      <Real Name="Z">-868.24725</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">176.87331</Real>
-      <Real Name="Y">-199.27788</Real>
-      <Real Name="Z">-58.264145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1114.8737</Real>
-      <Real Name="Y">629.37103</Real>
-      <Real Name="Z">795.97894</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.5452</Real>
-      <Real Name="Y">-873.28632</Real>
-      <Real Name="Z">-339.25296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-870.47675</Real>
-      <Real Name="Y">286.55475</Real>
-      <Real Name="Z">-544.52521</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">357.06244</Real>
-      <Real Name="Y">756.97516</Real>
-      <Real Name="Z">146.16736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.1041641</Real>
-      <Real Name="Y">-651.95844</Real>
-      <Real Name="Z">-54.851482</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-90.345825</Real>
-      <Real Name="Y">-131.84966</Real>
-      <Real Name="Z">-37.247372</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.065874</Real>
-      <Real Name="Y">-139.34502</Real>
-      <Real Name="Z">-869.21814</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.01487</Real>
-      <Real Name="Y">7.3681002</Real>
-      <Real Name="Z">237.56253</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">409.19614</Real>
-      <Real Name="Y">-13.744324</Real>
-      <Real Name="Z">674.30859</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.802597</Real>
-      <Real Name="Y">49.907135</Real>
-      <Real Name="Z">-863.78381</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-246.26122</Real>
-      <Real Name="Y">161.93843</Real>
-      <Real Name="Z">488.15155</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.568638</Real>
-      <Real Name="Y">-198.69077</Real>
-      <Real Name="Z">167.75015</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-614.66638</Real>
-      <Real Name="Y">104.43056</Real>
-      <Real Name="Z">354.05258</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">537.62415</Real>
-      <Real Name="Y">-78.613785</Real>
-      <Real Name="Z">-4.2482901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.13351</Real>
-      <Real Name="Y">-43.662785</Real>
-      <Real Name="Z">-245.23721</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-106.55264</Real>
-      <Real Name="Y">29.611603</Real>
-      <Real Name="Z">363.04178</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">246.89545</Real>
-      <Real Name="Y">-1.2883682</Real>
-      <Real Name="Z">-127.71266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.181488</Real>
-      <Real Name="Y">-111.70288</Real>
-      <Real Name="Z">-115.61073</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-356.0928</Real>
-      <Real Name="Y">-2083.6243</Real>
-      <Real Name="Z">-694.72595</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">338.5383</Real>
-      <Real Name="Y">1335.4231</Real>
-      <Real Name="Z">310.34689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">276.91052</Real>
-      <Real Name="Y">426.71542</Real>
-      <Real Name="Z">68.866402</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">409.91794</Real>
-      <Real Name="Y">978.05811</Real>
-      <Real Name="Z">-851.61719</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-141.87756</Real>
-      <Real Name="Y">-531.63434</Real>
-      <Real Name="Z">230.45869</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-250.61594</Real>
-      <Real Name="Y">-386.77625</Real>
-      <Real Name="Z">568.34503</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">52.995796</Real>
-      <Real Name="Y">98.713974</Real>
-      <Real Name="Z">5.9983025</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.455554</Real>
-      <Real Name="Y">-43.458389</Real>
-      <Real Name="Z">-3.6231194</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.239048</Real>
-      <Real Name="Y">-33.183907</Real>
-      <Real Name="Z">8.2902775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-423.92447</Real>
-      <Real Name="Y">988.94885</Real>
-      <Real Name="Z">389.62555</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">598.97217</Real>
-      <Real Name="Y">-698.11646</Real>
-      <Real Name="Z">-450.10861</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">30.343487</Real>
-      <Real Name="Y">-160.39758</Real>
-      <Real Name="Z">-11.909855</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">157.71036</Real>
-      <Real Name="Y">-504.38611</Real>
-      <Real Name="Z">-1441.918</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-46.964081</Real>
-      <Real Name="Y">370.46133</Real>
-      <Real Name="Z">1053.1552</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-283.37589</Real>
-      <Real Name="Y">14.029888</Real>
-      <Real Name="Z">269.58932</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.54297</Real>
-      <Real Name="Y">-124.31937</Real>
-      <Real Name="Z">-117.58147</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-85.880951</Real>
-      <Real Name="Y">126.24585</Real>
-      <Real Name="Z">72.835114</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.938107</Real>
-      <Real Name="Y">40.618141</Real>
-      <Real Name="Z">150.70537</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">331.19748</Real>
-      <Real Name="Y">-338.35422</Real>
-      <Real Name="Z">-76.46907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.71738</Real>
-      <Real Name="Y">414.147</Real>
-      <Real Name="Z">98.183876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-104.25122</Real>
-      <Real Name="Y">67.408051</Real>
-      <Real Name="Z">41.300266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">722.24652</Real>
-      <Real Name="Y">-186.35585</Real>
-      <Real Name="Z">-593.45697</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-344.99899</Real>
-      <Real Name="Y">205.72141</Real>
-      <Real Name="Z">640.11542</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-247.02272</Real>
-      <Real Name="Y">324.86865</Real>
-      <Real Name="Z">148.15186</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.68489075</Real>
-      <Real Name="Y">-10.920052</Real>
-      <Real Name="Z">9.5551529</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.5278492</Real>
-      <Real Name="Y">6.9944229</Real>
-      <Real Name="Z">-2.9469452</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.7969704</Real>
-      <Real Name="Y">4.9394989</Real>
-      <Real Name="Z">-7.0647907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-406.91809</Real>
-      <Real Name="Y">846.02759</Real>
-      <Real Name="Z">252.74513</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">291.08258</Real>
-      <Real Name="Y">-480.01971</Real>
-      <Real Name="Z">-680.65302</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.95673</Real>
-      <Real Name="Y">-441.6496</Real>
-      <Real Name="Z">290.35007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.52753</Real>
-      <Real Name="Y">32.474689</Real>
-      <Real Name="Z">-151.86365</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.64911</Real>
-      <Real Name="Y">57.971031</Real>
-      <Real Name="Z">40.010414</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.314713</Real>
-      <Real Name="Y">-39.183544</Real>
-      <Real Name="Z">74.100586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-596.88306</Real>
-      <Real Name="Y">-1290.8757</Real>
-      <Real Name="Z">-302.88104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">218.88113</Real>
-      <Real Name="Y">615.97302</Real>
-      <Real Name="Z">-293.4668</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">393.9408</Real>
-      <Real Name="Y">650.36456</Real>
-      <Real Name="Z">617.01917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1193.564</Real>
-      <Real Name="Y">443.09839</Real>
-      <Real Name="Z">-792.07574</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">819.54901</Real>
-      <Real Name="Y">-311.52759</Real>
-      <Real Name="Z">572.28064</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">184.21558</Real>
-      <Real Name="Y">-31.884295</Real>
-      <Real Name="Z">38.946358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">216.15625</Real>
-      <Real Name="Y">430.48578</Real>
-      <Real Name="Z">164.33459</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.185656</Real>
-      <Real Name="Y">-134.87021</Real>
-      <Real Name="Z">-70.851448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-108.02281</Real>
-      <Real Name="Y">-124.21425</Real>
-      <Real Name="Z">-17.181404</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1046.2062</Real>
-      <Real Name="Y">-1074.0594</Real>
-      <Real Name="Z">-860.1192</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.09605</Real>
-      <Real Name="Y">209.2016</Real>
-      <Real Name="Z">196.16069</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">575.92712</Real>
-      <Real Name="Y">691.03589</Real>
-      <Real Name="Z">682.34711</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.87489</Real>
-      <Real Name="Y">390.16568</Real>
-      <Real Name="Z">-1022.8798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.947098</Real>
-      <Real Name="Y">-318.27917</Real>
-      <Real Name="Z">753.25494</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.99823</Real>
-      <Real Name="Y">32.162571</Real>
-      <Real Name="Z">254.53839</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.83133</Real>
-      <Real Name="Y">-511.42389</Real>
-      <Real Name="Z">-930.75775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.26678</Real>
-      <Real Name="Y">79.126808</Real>
-      <Real Name="Z">146.98911</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.370152</Real>
-      <Real Name="Y">256.5076</Real>
-      <Real Name="Z">804.46674</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-439.91162</Real>
-      <Real Name="Y">-223.48511</Real>
-      <Real Name="Z">-198.46278</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">224.94597</Real>
-      <Real Name="Y">60.396034</Real>
-      <Real Name="Z">145.17058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">225.78027</Real>
-      <Real Name="Y">77.065506</Real>
-      <Real Name="Z">123.62689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">568.81421</Real>
-      <Real Name="Y">813.69324</Real>
-      <Real Name="Z">-260.33954</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-117.33185</Real>
-      <Real Name="Y">-198.43544</Real>
-      <Real Name="Z">15.699821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.9657</Real>
-      <Real Name="Y">-861.01874</Real>
-      <Real Name="Z">-32.847767</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1744.8718</Real>
-      <Real Name="Y">-146.70538</Real>
-      <Real Name="Z">947.849</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-863.39832</Real>
-      <Real Name="Y">303.07144</Real>
-      <Real Name="Z">-704.97058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.04962</Real>
-      <Real Name="Y">-176.10233</Real>
-      <Real Name="Z">-382.00201</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-153.51324</Real>
-      <Real Name="Y">55.68367</Real>
-      <Real Name="Z">125.95101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">163.0448</Real>
-      <Real Name="Y">-162.75539</Real>
-      <Real Name="Z">29.864437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">198.87985</Real>
-      <Real Name="Y">-7.5582418</Real>
-      <Real Name="Z">25.019432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">685.05609</Real>
-      <Real Name="Y">-377.9234</Real>
-      <Real Name="Z">33.146976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-478.77271</Real>
-      <Real Name="Y">292.2962</Real>
-      <Real Name="Z">25.484558</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.64474</Real>
-      <Real Name="Y">328.12592</Real>
-      <Real Name="Z">-128.69678</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.69466</Real>
-      <Real Name="Y">-1811.087</Real>
-      <Real Name="Z">50.047211</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">128.98105</Real>
-      <Real Name="Y">237.25067</Real>
-      <Real Name="Z">-41.168339</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.38527</Real>
-      <Real Name="Y">1224.5275</Real>
-      <Real Name="Z">-63.084476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">423.29596</Real>
-      <Real Name="Y">1028.8195</Real>
-      <Real Name="Z">826.05914</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.67789</Real>
-      <Real Name="Y">-646.07843</Real>
-      <Real Name="Z">-555.45239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.187481</Real>
-      <Real Name="Y">-238.70564</Real>
-      <Real Name="Z">-216.71841</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-46.746235</Real>
-      <Real Name="Y">-451.4632</Real>
-      <Real Name="Z">-521.95026</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-158.08191</Real>
-      <Real Name="Y">376.0954</Real>
-      <Real Name="Z">254.38142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-93.62793</Real>
-      <Real Name="Y">161.07248</Real>
-      <Real Name="Z">477.57007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">845.27881</Real>
-      <Real Name="Y">-284.70667</Real>
-      <Real Name="Z">-278.60162</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-199.05646</Real>
-      <Real Name="Y">452.46191</Real>
-      <Real Name="Z">22.097107</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-761.22772</Real>
-      <Real Name="Y">-163.09402</Real>
-      <Real Name="Z">188.54041</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1086.9775</Real>
-      <Real Name="Y">1521.1305</Real>
-      <Real Name="Z">-673.2782</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.66171</Real>
-      <Real Name="Y">-219.61053</Real>
-      <Real Name="Z">95.491249</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">620.03485</Real>
-      <Real Name="Y">-974.03101</Real>
-      <Real Name="Z">441.56821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">743.2168</Real>
-      <Real Name="Y">29.398201</Real>
-      <Real Name="Z">149.53085</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.6862</Real>
-      <Real Name="Y">92.882713</Real>
-      <Real Name="Z">-36.452312</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-914.89764</Real>
-      <Real Name="Y">119.96918</Real>
-      <Real Name="Z">-128.94379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-822.6358</Real>
-      <Real Name="Y">-1220.017</Real>
-      <Real Name="Z">114.36189</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">707.68378</Real>
-      <Real Name="Y">941.33618</Real>
-      <Real Name="Z">60.082314</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">68.118355</Real>
-      <Real Name="Y">251.30519</Real>
-      <Real Name="Z">-76.473816</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-136.63136</Real>
-      <Real Name="Y">-697.25623</Real>
-      <Real Name="Z">809.2373</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.8913</Real>
-      <Real Name="Y">509.84113</Real>
-      <Real Name="Z">-581.41943</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.67886</Real>
-      <Real Name="Y">79.15834</Real>
-      <Real Name="Z">-119.01872</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">69.394867</Real>
-      <Real Name="Y">-148.72679</Real>
-      <Real Name="Z">342.33685</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.626726</Real>
-      <Real Name="Y">255.32982</Real>
-      <Real Name="Z">-74.753937</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-285.06201</Real>
-      <Real Name="Y">369.95981</Real>
-      <Real Name="Z">26.579353</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">82.454201</Real>
-      <Real Name="Y">466.0347</Real>
-      <Real Name="Z">-66.964439</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-52.497044</Real>
-      <Real Name="Y">-170.16011</Real>
-      <Real Name="Z">64.423462</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">32.73671</Real>
-      <Real Name="Y">-177.85536</Real>
-      <Real Name="Z">21.967014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.705185</Real>
-      <Real Name="Y">767.03796</Real>
-      <Real Name="Z">75.473351</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.588104</Real>
-      <Real Name="Y">-166.13193</Real>
-      <Real Name="Z">-66.487488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.568993</Real>
-      <Real Name="Y">-724.08154</Real>
-      <Real Name="Z">-12.754246</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.510574</Real>
-      <Real Name="Y">-723.00421</Real>
-      <Real Name="Z">-210.45476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.88062</Real>
-      <Real Name="Y">626.18372</Real>
-      <Real Name="Z">111.89783</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.519997</Real>
-      <Real Name="Y">176.58563</Real>
-      <Real Name="Z">44.482582</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">67.842163</Real>
-      <Real Name="Y">777.96057</Real>
-      <Real Name="Z">560.51276</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.387653</Real>
-      <Real Name="Y">-180.10947</Real>
-      <Real Name="Z">-82.72142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">139.17728</Real>
-      <Real Name="Y">-585.65979</Real>
-      <Real Name="Z">-443.16635</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-295.05496</Real>
-      <Real Name="Y">299.31772</Real>
-      <Real Name="Z">-420.42972</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">164.55542</Real>
-      <Real Name="Y">-252.1886</Real>
-      <Real Name="Z">436.97571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.03229</Real>
-      <Real Name="Y">-111.08784</Real>
-      <Real Name="Z">92.585892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-885.43817</Real>
-      <Real Name="Y">-83.6082</Real>
-      <Real Name="Z">-57.046852</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.81207</Real>
-      <Real Name="Y">-69.788956</Real>
-      <Real Name="Z">3.6640511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">312.90143</Real>
-      <Real Name="Y">42.177246</Real>
-      <Real Name="Z">7.3131104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1533.2123</Real>
-      <Real Name="Y">-267.98224</Real>
-      <Real Name="Z">-639.77484</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">298.84668</Real>
-      <Real Name="Y">-41.605171</Real>
-      <Real Name="Z">203.82086</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1071.9005</Real>
-      <Real Name="Y">337.55316</Real>
-      <Real Name="Z">324.01285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-412.06342</Real>
-      <Real Name="Y">1395.422</Real>
-      <Real Name="Z">324.65247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.269663</Real>
-      <Real Name="Y">-723.13293</Real>
-      <Real Name="Z">-590.00214</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">383.87311</Real>
-      <Real Name="Y">-438.32825</Real>
-      <Real Name="Z">485.93811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">200.20433</Real>
-      <Real Name="Y">440.55023</Real>
-      <Real Name="Z">126.63379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.497604</Real>
-      <Real Name="Y">-125.11058</Real>
-      <Real Name="Z">-82.321968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-223.47771</Real>
-      <Real Name="Y">-496.10773</Real>
-      <Real Name="Z">-108.89548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1155.9442</Real>
-      <Real Name="Y">-1972.644</Real>
-      <Real Name="Z">678.10028</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-122.95121</Real>
-      <Real Name="Y">1194.1389</Real>
-      <Real Name="Z">314.51654</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1030.7716</Real>
-      <Real Name="Y">372.63919</Real>
-      <Real Name="Z">-811.24615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">776.89423</Real>
-      <Real Name="Y">-1294.8624</Real>
-      <Real Name="Z">-289.82108</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-239.76584</Real>
-      <Real Name="Y">679.80609</Real>
-      <Real Name="Z">20.613815</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-496.59177</Real>
-      <Real Name="Y">693.43573</Real>
-      <Real Name="Z">319.41367</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">85.824654</Real>
-      <Real Name="Y">842.82404</Real>
-      <Real Name="Z">1349.6887</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-105.1994</Real>
-      <Real Name="Y">-723.44421</Real>
-      <Real Name="Z">-1015.3097</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.93722</Real>
-      <Real Name="Y">7.4774971</Real>
-      <Real Name="Z">-260.68109</Real>
-    </Vector>
-  </Sequence>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.710526</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-77.492188</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-77.22374</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-76.925095</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-76.629395</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-76.381966</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-76.231613</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-76.220352</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-76.364891</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-76.657516</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-77.060791</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-77.51268</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-77.941872</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-78.276093</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-78.457672</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-78.454803</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-78.264023</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-77.915649</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-77.457748</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-76.94519</Real>
+  </Energy>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s.xml

index b92bb797476e21fcae7e88f6ad1043af79769592..ed1ff6185ed77690b516ae91e3dd7158adaafb23 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s.xml
@@ -47,892 +47,4 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1420.3698</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1423.0364</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1420.3698</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1423.0364</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">617.33661</Real>
-      <Real Name="Y">-780.51447</Real>
-      <Real Name="Z">-86.694389</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-169.13429</Real>
-      <Real Name="Y">-251.96469</Real>
-      <Real Name="Z">32.742085</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-454.9155</Real>
-      <Real Name="Y">275.3364</Real>
-      <Real Name="Z">-220.35951</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.52621</Real>
-      <Real Name="Y">187.76048</Real>
-      <Real Name="Z">25.407236</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">805.48761</Real>
-      <Real Name="Y">669.22736</Real>
-      <Real Name="Z">-34.901096</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-23.652775</Real>
-      <Real Name="Y">322.60388</Real>
-      <Real Name="Z">-212.35614</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-963.67493</Real>
-      <Real Name="Y">320.117</Real>
-      <Real Name="Z">1073.1449</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">17.54126</Real>
-      <Real Name="Y">-305.06851</Real>
-      <Real Name="Z">-406.89926</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">344.25427</Real>
-      <Real Name="Y">-377.22156</Real>
-      <Real Name="Z">-211.73772</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">7.9347687</Real>
-      <Real Name="Y">-32.547478</Real>
-      <Real Name="Z">22.989349</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.7136459</Real>
-      <Real Name="Y">28.822924</Real>
-      <Real Name="Z">-13.923183</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-7.9800415</Real>
-      <Real Name="Y">15.074156</Real>
-      <Real Name="Z">-5.139473</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.5753174</Real>
-      <Real Name="Y">20.93708</Real>
-      <Real Name="Z">-6.5507355</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-3.8364716</Real>
-      <Real Name="Y">-8.383873</Real>
-      <Real Name="Z">4.6215553</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">6.4699059</Real>
-      <Real Name="Y">-23.646114</Real>
-      <Real Name="Z">4.1250038</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.90411</Real>
-      <Real Name="Y">-59.309494</Real>
-      <Real Name="Z">-670.22308</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.94229</Real>
-      <Real Name="Y">36.183804</Real>
-      <Real Name="Z">385.22693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.6894455</Real>
-      <Real Name="Y">-11.371679</Real>
-      <Real Name="Z">206.43135</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">372.76163</Real>
-      <Real Name="Y">415.08405</Real>
-      <Real Name="Z">-106.87575</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-40.294144</Real>
-      <Real Name="Y">-233.29556</Real>
-      <Real Name="Z">90.301315</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-356.02478</Real>
-      <Real Name="Y">-587.08337</Real>
-      <Real Name="Z">251.21111</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">647.46844</Real>
-      <Real Name="Y">-496.60052</Real>
-      <Real Name="Z">-423.58368</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.63145</Real>
-      <Real Name="Y">123.53926</Real>
-      <Real Name="Z">75.955551</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-647.95801</Real>
-      <Real Name="Y">441.42059</Real>
-      <Real Name="Z">220.66132</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.763874</Real>
-      <Real Name="Y">287.49512</Real>
-      <Real Name="Z">60.575615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.318283</Real>
-      <Real Name="Y">-160.49477</Real>
-      <Real Name="Z">-108.35732</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-114.93105</Real>
-      <Real Name="Y">-211.82112</Real>
-      <Real Name="Z">-136.49985</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-590.88574</Real>
-      <Real Name="Y">267.36221</Real>
-      <Real Name="Z">839.0293</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">396.81281</Real>
-      <Real Name="Y">-52.672554</Real>
-      <Real Name="Z">-871.45374</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">175.44894</Real>
-      <Real Name="Y">-189.39462</Real>
-      <Real Name="Z">-62.891357</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1107.5161</Real>
-      <Real Name="Y">592.50647</Real>
-      <Real Name="Z">848.63428</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-162.84024</Real>
-      <Real Name="Y">-854.797</Real>
-      <Real Name="Z">-356.51849</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-854.72687</Real>
-      <Real Name="Y">309.68973</Real>
-      <Real Name="Z">-571.80908</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">362.18417</Real>
-      <Real Name="Y">752.2821</Real>
-      <Real Name="Z">141.23689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-7.8112259</Real>
-      <Real Name="Y">-648.95288</Real>
-      <Real Name="Z">-51.363411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-92.772888</Real>
-      <Real Name="Y">-130.48854</Real>
-      <Real Name="Z">-35.331146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">13.513041</Real>
-      <Real Name="Y">-155.12177</Real>
-      <Real Name="Z">-891.41486</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-93.938316</Real>
-      <Real Name="Y">26.177977</Real>
-      <Real Name="Z">254.17628</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">393.79816</Real>
-      <Real Name="Y">-9.936779</Real>
-      <Real Name="Z">679.60004</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">110.12297</Real>
-      <Real Name="Y">49.641937</Real>
-      <Real Name="Z">-862.85516</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-257.10236</Real>
-      <Real Name="Y">161.30362</Real>
-      <Real Name="Z">485.82635</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">13.702003</Real>
-      <Real Name="Y">-197.45633</Real>
-      <Real Name="Z">167.65471</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-630.30328</Real>
-      <Real Name="Y">82.253143</Real>
-      <Real Name="Z">360.92517</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">543.20892</Real>
-      <Real Name="Y">-65.6241</Real>
-      <Real Name="Z">-8.2377453</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">137.03171</Real>
-      <Real Name="Y">-33.424728</Real>
-      <Real Name="Z">-245.84113</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-102.85608</Real>
-      <Real Name="Y">33.591461</Real>
-      <Real Name="Z">361.58456</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">245.42336</Real>
-      <Real Name="Y">-3.5083618</Real>
-      <Real Name="Z">-127.53534</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">57.408455</Real>
-      <Real Name="Y">-112.90305</Real>
-      <Real Name="Z">-114.6322</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-343.68259</Real>
-      <Real Name="Y">-2053.6333</Real>
-      <Real Name="Z">-698.3858</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">334.17819</Real>
-      <Real Name="Y">1319.8096</Real>
-      <Real Name="Z">317.98193</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">275.0188</Real>
-      <Real Name="Y">413.62527</Real>
-      <Real Name="Z">71.077988</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">432.78394</Real>
-      <Real Name="Y">1006.4045</Real>
-      <Real Name="Z">-844.37518</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-151.4671</Real>
-      <Real Name="Y">-538.99146</Real>
-      <Real Name="Z">229.15048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.52936</Real>
-      <Real Name="Y">-402.388</Real>
-      <Real Name="Z">560.71997</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">51.855389</Real>
-      <Real Name="Y">95.835449</Real>
-      <Real Name="Z">3.4298553</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.051535</Real>
-      <Real Name="Y">-42.181683</Real>
-      <Real Name="Z">-2.5010204</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.626373</Real>
-      <Real Name="Y">-31.759125</Real>
-      <Real Name="Z">9.4050121</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-440.19217</Real>
-      <Real Name="Y">980.25952</Real>
-      <Real Name="Z">399.87769</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">607.22333</Real>
-      <Real Name="Y">-691.54602</Real>
-      <Real Name="Z">-454.94186</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">36.138149</Real>
-      <Real Name="Y">-157.0851</Real>
-      <Real Name="Z">-17.09235</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">213.91118</Real>
-      <Real Name="Y">-488.6087</Real>
-      <Real Name="Z">-1414.5408</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-65.932564</Real>
-      <Real Name="Y">354.58322</Real>
-      <Real Name="Z">1043.2621</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-331.3656</Real>
-      <Real Name="Y">19.885906</Real>
-      <Real Name="Z">245.51808</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">181.34485</Real>
-      <Real Name="Y">-124.98962</Real>
-      <Real Name="Z">-118.82239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-86.353584</Real>
-      <Real Name="Y">126.48776</Real>
-      <Real Name="Z">73.656525</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-63.521088</Real>
-      <Real Name="Y">41.176628</Real>
-      <Real Name="Z">151.44341</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">330.51007</Real>
-      <Real Name="Y">-339.71625</Real>
-      <Real Name="Z">-72.240265</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.56885</Real>
-      <Real Name="Y">414.87732</Real>
-      <Real Name="Z">96.133003</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-103.74152</Real>
-      <Real Name="Y">68.079659</Real>
-      <Real Name="Z">39.450329</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">755.07751</Real>
-      <Real Name="Y">-267.23724</Real>
-      <Real Name="Z">-577.46594</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-353.17859</Real>
-      <Real Name="Y">255.45401</Real>
-      <Real Name="Z">608.12933</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-268.47809</Real>
-      <Real Name="Y">283.25037</Real>
-      <Real Name="Z">151.70406</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.90224457</Real>
-      <Real Name="Y">-9.65271</Real>
-      <Real Name="Z">5.7056007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.092679977</Real>
-      <Real Name="Y">6.251564</Real>
-      <Real Name="Z">-1.3744984</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.3116379</Real>
-      <Real Name="Y">4.2114067</Real>
-      <Real Name="Z">-5.0407639</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-394.94681</Real>
-      <Real Name="Y">856.92358</Real>
-      <Real Name="Z">245.18097</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">287.25851</Real>
-      <Real Name="Y">-483.84351</Real>
-      <Real Name="Z">-678.78436</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-314.1795</Real>
-      <Real Name="Y">-444.65701</Real>
-      <Real Name="Z">296.65948</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.76575</Real>
-      <Real Name="Y">28.093269</Real>
-      <Real Name="Z">-151.09431</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.91019</Real>
-      <Real Name="Y">59.995651</Real>
-      <Real Name="Z">39.736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.483139</Real>
-      <Real Name="Y">-36.650173</Real>
-      <Real Name="Z">73.75528</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-557.96887</Real>
-      <Real Name="Y">-1285.3981</Real>
-      <Real Name="Z">-314.92886</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">201.60812</Real>
-      <Real Name="Y">618.4068</Real>
-      <Real Name="Z">-286.63455</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">379.58429</Real>
-      <Real Name="Y">652.41388</Real>
-      <Real Name="Z">624.79401</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1195.427</Real>
-      <Real Name="Y">443.18616</Real>
-      <Real Name="Z">-793.37415</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">820.32343</Real>
-      <Real Name="Y">-311.45047</Real>
-      <Real Name="Z">572.69684</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">185.03748</Real>
-      <Real Name="Y">-31.90567</Real>
-      <Real Name="Z">39.746109</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">219.05635</Real>
-      <Real Name="Y">427.98837</Real>
-      <Real Name="Z">165.94514</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-29.749557</Real>
-      <Real Name="Y">-133.48866</Real>
-      <Real Name="Z">-72.059021</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-109.59982</Real>
-      <Real Name="Y">-123.34273</Real>
-      <Real Name="Z">-17.81591</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1046.6116</Real>
-      <Real Name="Y">-1076.0034</Real>
-      <Real Name="Z">-858.07568</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.17</Real>
-      <Real Name="Y">210.20972</Real>
-      <Real Name="Z">195.34174</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">576.18079</Real>
-      <Real Name="Y">692.08319</Real>
-      <Real Name="Z">681.30145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.84282</Real>
-      <Real Name="Y">387.26837</Real>
-      <Real Name="Z">-1021.8298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.936356</Real>
-      <Real Name="Y">-316.56287</Real>
-      <Real Name="Z">752.7301</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.990967</Real>
-      <Real Name="Y">33.420403</Real>
-      <Real Name="Z">254.1022</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.33334</Real>
-      <Real Name="Y">-513.68066</Real>
-      <Real Name="Z">-928.87775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.64267</Real>
-      <Real Name="Y">80.175964</Real>
-      <Real Name="Z">145.86652</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.541534</Real>
-      <Real Name="Y">257.67795</Real>
-      <Real Name="Z">803.70007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-504.87671</Real>
-      <Real Name="Y">-155.15685</Real>
-      <Real Name="Z">-164.86368</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.1913</Real>
-      <Real Name="Y">16.228439</Real>
-      <Real Name="Z">135.49379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">238.37128</Real>
-      <Real Name="Y">47.363029</Real>
-      <Real Name="Z">105.86298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">589.6604</Real>
-      <Real Name="Y">826.8764</Real>
-      <Real Name="Z">-262.17026</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-123.51935</Real>
-      <Real Name="Y">-202.67856</Real>
-      <Real Name="Z">15.75489</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-461.92422</Real>
-      <Real Name="Y">-869.53784</Real>
-      <Real Name="Z">-37.157898</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1693.066</Real>
-      <Real Name="Y">-174.15359</Real>
-      <Real Name="Z">896.79138</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-862.94971</Real>
-      <Real Name="Y">314.30588</Real>
-      <Real Name="Z">-687.11066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-322.71545</Real>
-      <Real Name="Y">-175.96829</Real>
-      <Real Name="Z">-374.29053</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-154.6716</Real>
-      <Real Name="Y">55.155525</Real>
-      <Real Name="Z">125.81474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">163.54355</Real>
-      <Real Name="Y">-162.45393</Real>
-      <Real Name="Z">29.750122</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">199.44672</Real>
-      <Real Name="Y">-7.2473717</Real>
-      <Real Name="Z">25.004314</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">725.20752</Real>
-      <Real Name="Y">-430.76373</Real>
-      <Real Name="Z">7.2008438</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-512.58234</Real>
-      <Real Name="Y">294.11615</Real>
-      <Real Name="Z">37.104877</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-414.48853</Real>
-      <Real Name="Y">350.94092</Real>
-      <Real Name="Z">-121.14153</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.10907</Real>
-      <Real Name="Y">-1820.3712</Real>
-      <Real Name="Z">38.144524</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">130.1235</Real>
-      <Real Name="Y">241.66101</Real>
-      <Real Name="Z">-35.208729</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.01749</Real>
-      <Real Name="Y">1228.6007</Real>
-      <Real Name="Z">-58.759235</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">436.39532</Real>
-      <Real Name="Y">1034.939</Real>
-      <Real Name="Z">857.30328</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-312.27539</Real>
-      <Real Name="Y">-645.20398</Real>
-      <Real Name="Z">-580.97296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-59.260658</Real>
-      <Real Name="Y">-239.47542</Real>
-      <Real Name="Z">-227.79544</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">40.693493</Real>
-      <Real Name="Y">-377.20816</Real>
-      <Real Name="Z">-473.38165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-196.80806</Real>
-      <Real Name="Y">346.03714</Real>
-      <Real Name="Z">245.53894</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-125.08713</Real>
-      <Real Name="Y">145.33511</Real>
-      <Real Name="Z">477.83868</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">778.95544</Real>
-      <Real Name="Y">-311.1871</Real>
-      <Real Name="Z">-241.48091</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-162.85399</Real>
-      <Real Name="Y">453.18155</Real>
-      <Real Name="Z">4.5315399</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-742.05725</Real>
-      <Real Name="Y">-154.62598</Real>
-      <Real Name="Z">176.70192</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1096.1051</Real>
-      <Real Name="Y">1502.3936</Real>
-      <Real Name="Z">-674.96509</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">176.17151</Real>
-      <Real Name="Y">-212.01642</Real>
-      <Real Name="Z">94.94455</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">626.80078</Real>
-      <Real Name="Y">-964.20044</Real>
-      <Real Name="Z">443.67899</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">744.16345</Real>
-      <Real Name="Y">22.960342</Real>
-      <Real Name="Z">144.31339</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-164.01215</Real>
-      <Real Name="Y">95.556435</Real>
-      <Real Name="Z">-34.543884</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-916.07959</Real>
-      <Real Name="Y">123.17702</Real>
-      <Real Name="Z">-126.24118</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-798.04028</Real>
-      <Real Name="Y">-1242.7562</Real>
-      <Real Name="Z">108.21335</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">700.27899</Real>
-      <Real Name="Y">953.6933</Real>
-      <Real Name="Z">62.575523</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">58.251953</Real>
-      <Real Name="Y">258.16742</Real>
-      <Real Name="Z">-74.889671</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-128.15436</Real>
-      <Real Name="Y">-691.19086</Real>
-      <Real Name="Z">812.94385</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">144.88965</Real>
-      <Real Name="Y">504.397</Real>
-      <Real Name="Z">-583.37585</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-53.485317</Real>
-      <Real Name="Y">76.171822</Real>
-      <Real Name="Z">-119.49659</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">67.593575</Real>
-      <Real Name="Y">-129.6514</Real>
-      <Real Name="Z">309.33026</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-25.43799</Real>
-      <Real Name="Y">250.85448</Real>
-      <Real Name="Z">-60.291992</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-290.61942</Real>
-      <Real Name="Y">360.50009</Real>
-      <Real Name="Z">45.284187</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">83.772934</Real>
-      <Real Name="Y">479.87762</Real>
-      <Real Name="Z">-73.341759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.435299</Real>
-      <Real Name="Y">-177.02826</Real>
-      <Real Name="Z">67.396545</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">30.987606</Real>
-      <Real Name="Y">-187.59714</Real>
-      <Real Name="Z">27.104071</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">78.773163</Real>
-      <Real Name="Y">771.31555</Real>
-      <Real Name="Z">73.895294</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-48.361427</Real>
-      <Real Name="Y">-168.63474</Real>
-      <Real Name="Z">-65.576714</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.227707</Real>
-      <Real Name="Y">-727.33746</Real>
-      <Real Name="Z">-11.528174</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.365936</Real>
-      <Real Name="Y">-724.96466</Real>
-      <Real Name="Z">-207.02744</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.96478</Real>
-      <Real Name="Y">627.13464</Real>
-      <Real Name="Z">110.45792</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.24794</Real>
-      <Real Name="Y">177.91463</Real>
-      <Real Name="Z">42.457146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">52.939697</Real>
-      <Real Name="Y">814.13458</Real>
-      <Real Name="Z">588.21356</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">24.189129</Real>
-      <Real Name="Y">-185.58057</Real>
-      <Real Name="Z">-105.79498</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">130.35266</Real>
-      <Real Name="Y">-616.07758</Real>
-      <Real Name="Z">-446.39188</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.9827</Real>
-      <Real Name="Y">310.52808</Real>
-      <Real Name="Z">-419.03406</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">161.59464</Real>
-      <Real Name="Y">-258.08325</Real>
-      <Real Name="Z">437.42535</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">146.62549</Real>
-      <Real Name="Y">-119.18927</Real>
-      <Real Name="Z">90.629784</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-881.57263</Real>
-      <Real Name="Y">-102.95556</Real>
-      <Real Name="Z">-59.490646</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.73218</Real>
-      <Real Name="Y">-59.390209</Real>
-      <Real Name="Z">5.589119</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">311.63391</Real>
-      <Real Name="Y">50.355629</Real>
-      <Real Name="Z">7.166954</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1521.3552</Real>
-      <Real Name="Y">-274.7059</Real>
-      <Real Name="Z">-653.08289</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">294.19162</Real>
-      <Real Name="Y">-40.116096</Real>
-      <Real Name="Z">208.85138</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1067.9164</Real>
-      <Real Name="Y">342.88251</Real>
-      <Real Name="Z">332.12344</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.47821</Real>
-      <Real Name="Y">1438.0076</Real>
-      <Real Name="Z">325.95453</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">7.0083065</Real>
-      <Real Name="Y">-736.71198</Real>
-      <Real Name="Z">-586.96265</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">373.00073</Real>
-      <Real Name="Y">-458.66336</Real>
-      <Real Name="Z">485.55991</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">201.63794</Real>
-      <Real Name="Y">437.37115</Real>
-      <Real Name="Z">127.21452</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-67.344383</Real>
-      <Real Name="Y">-123.37768</Real>
-      <Real Name="Z">-82.54248</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-224.36757</Real>
-      <Real Name="Y">-494.58807</Real>
-      <Real Name="Z">-109.36105</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1162.127</Real>
-      <Real Name="Y">-2017.4215</Real>
-      <Real Name="Z">666.97101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.03601</Real>
-      <Real Name="Y">1230.618</Real>
-      <Real Name="Z">320.17947</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1029.7594</Real>
-      <Real Name="Y">392.19427</Real>
-      <Real Name="Z">-802.41577</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">786.0752</Real>
-      <Real Name="Y">-1308.1134</Real>
-      <Real Name="Z">-296.95157</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-246.38203</Real>
-      <Real Name="Y">685.94806</Real>
-      <Real Name="Z">25.197598</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-501.07248</Real>
-      <Real Name="Y">703.30817</Real>
-      <Real Name="Z">323.36243</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">76.651764</Real>
-      <Real Name="Y">818.48578</Real>
-      <Real Name="Z">1329.381</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-102.86015</Real>
-      <Real Name="Y">-715.75873</Real>
-      <Real Name="Z">-1007.6066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-106.73311</Real>
-      <Real Name="Y">19.04343</Real>
-      <Real Name="Z">-246.054</Real>
-    </Vector>
-  </Sequence>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d.xml

index def03f7ab80c92b3c3d058401c0ef094da8a41d0..2583e4f7107e3a939a6948ebb2271e40450b04c1 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d.xml
@@ -104,109 +104,6 @@
      <Real Name="Time 0.099000 Step 99 in frame 99">12.950024535582697</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">13.552714790872287</Real>
    </Energy>
      <Real Name="Time 0.099000 Step 99 in frame 99">12.950024535582697</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">13.552714790872287</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.7167069130698</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-77.504538019882148</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-77.241986972113608</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-76.94418861569747</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-76.638612657375745</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-76.364325984603042</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-76.499833038534334</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-77.07106726823983</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-78.057734247165712</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-79.391317405669525</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-80.964019165874305</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-82.64642122675059</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-84.309599249022313</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-85.846865312153867</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-87.190729654585908</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-88.321856636036728</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-89.268522352527071</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-90.0970930379018</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-90.895834876066402</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-91.75555464236497</Real>
-    <Real Name="Time 0.021000 Step 21 in frame 21">-92.751062295310703</Real>
-    <Real Name="Time 0.022000 Step 22 in frame 22">-93.854268518833834</Real>
-    <Real Name="Time 0.023000 Step 23 in frame 23">-95.071429270337006</Real>
-    <Real Name="Time 0.024000 Step 24 in frame 24">-96.37134900224018</Real>
-    <Real Name="Time 0.025000 Step 25 in frame 25">-97.687254822341487</Real>
-    <Real Name="Time 0.026000 Step 26 in frame 26">-98.921920110387617</Real>
-    <Real Name="Time 0.027000 Step 27 in frame 27">-99.956057390485597</Real>
-    <Real Name="Time 0.028000 Step 28 in frame 28">-100.66127693461635</Real>
-    <Real Name="Time 0.029000 Step 29 in frame 29">-100.91778504384668</Real>
-    <Real Name="Time 0.030000 Step 30 in frame 30">-100.63480447477396</Real>
-    <Real Name="Time 0.031000 Step 31 in frame 31">-99.768957810073374</Real>
-    <Real Name="Time 0.032000 Step 32 in frame 32">-98.334724693711536</Real>
-    <Real Name="Time 0.033000 Step 33 in frame 33">-96.403243207560195</Real>
-    <Real Name="Time 0.034000 Step 34 in frame 34">-94.090183586608418</Real>
-    <Real Name="Time 0.035000 Step 35 in frame 35">-91.537358681385442</Real>
-    <Real Name="Time 0.036000 Step 36 in frame 36">-88.893864937520505</Real>
-    <Real Name="Time 0.037000 Step 37 in frame 37">-86.395775750000922</Real>
-    <Real Name="Time 0.038000 Step 38 in frame 38">-84.163669661191705</Real>
-    <Real Name="Time 0.039000 Step 39 in frame 39">-82.28691247203065</Real>
-    <Real Name="Time 0.040000 Step 40 in frame 40">-80.820311143939463</Real>
-    <Real Name="Time 0.041000 Step 41 in frame 41">-79.782523306961068</Real>
-    <Real Name="Time 0.042000 Step 42 in frame 42">-79.156401397675268</Real>
-    <Real Name="Time 0.043000 Step 43 in frame 43">-78.892569549919813</Real>
-    <Real Name="Time 0.044000 Step 44 in frame 44">-78.917330236536529</Real>
-    <Real Name="Time 0.045000 Step 45 in frame 45">-79.144600202348073</Real>
-    <Real Name="Time 0.046000 Step 46 in frame 46">-79.48879885603256</Real>
-    <Real Name="Time 0.047000 Step 47 in frame 47">-79.62316937115898</Real>
-    <Real Name="Time 0.048000 Step 48 in frame 48">-79.511622926608709</Real>
-    <Real Name="Time 0.049000 Step 49 in frame 49">-79.137831264951274</Real>
-    <Real Name="Time 0.050000 Step 50 in frame 50">-78.500981173554436</Real>
-    <Real Name="Time 0.051000 Step 51 in frame 51">-77.61254783977364</Real>
-    <Real Name="Time 0.052000 Step 52 in frame 52">-76.642226694475681</Real>
-    <Real Name="Time 0.053000 Step 53 in frame 53">-75.611405004204926</Real>
-    <Real Name="Time 0.054000 Step 54 in frame 54">-74.547715985118685</Real>
-    <Real Name="Time 0.055000 Step 55 in frame 55">-73.484700344204981</Real>
-    <Real Name="Time 0.056000 Step 56 in frame 56">-72.461038497678047</Real>
-    <Real Name="Time 0.057000 Step 57 in frame 57">-71.386039864939818</Real>
-    <Real Name="Time 0.058000 Step 58 in frame 58">-70.31231756759891</Real>
-    <Real Name="Time 0.059000 Step 59 in frame 59">-69.294696073686524</Real>
-    <Real Name="Time 0.060000 Step 60 in frame 60">-68.387160385429056</Real>
-    <Real Name="Time 0.061000 Step 61 in frame 61">-67.639127771841203</Real>
-    <Real Name="Time 0.062000 Step 62 in frame 62">-67.090807058596155</Real>
-    <Real Name="Time 0.063000 Step 63 in frame 63">-66.768023280788043</Real>
-    <Real Name="Time 0.064000 Step 64 in frame 64">-66.67791454926207</Real>
-    <Real Name="Time 0.065000 Step 65 in frame 65">-66.807259748498836</Real>
-    <Real Name="Time 0.066000 Step 66 in frame 66">-67.124409279901585</Real>
-    <Real Name="Time 0.067000 Step 67 in frame 67">-67.788491147784953</Real>
-    <Real Name="Time 0.068000 Step 68 in frame 68">-68.743156746709701</Real>
-    <Real Name="Time 0.069000 Step 69 in frame 69">-69.921891203317557</Real>
-    <Real Name="Time 0.070000 Step 70 in frame 70">-71.253011305740841</Real>
-    <Real Name="Time 0.071000 Step 71 in frame 71">-72.6633831567664</Real>
-    <Real Name="Time 0.072000 Step 72 in frame 72">-74.081439740027378</Real>
-    <Real Name="Time 0.073000 Step 73 in frame 73">-75.440754447786219</Real>
-    <Real Name="Time 0.074000 Step 74 in frame 74">-76.685476532415237</Real>
-    <Real Name="Time 0.075000 Step 75 in frame 75">-77.777893324193315</Real>
-    <Real Name="Time 0.076000 Step 76 in frame 76">-78.706523466566352</Real>
-    <Real Name="Time 0.077000 Step 77 in frame 77">-79.432796870106159</Real>
-    <Real Name="Time 0.078000 Step 78 in frame 78">-80.009735173140726</Real>
-    <Real Name="Time 0.079000 Step 79 in frame 79">-80.511357517342816</Real>
-    <Real Name="Time 0.080000 Step 80 in frame 80">-81.015994031309958</Real>
-    <Real Name="Time 0.081000 Step 81 in frame 81">-81.586945838181578</Real>
-    <Real Name="Time 0.082000 Step 82 in frame 82">-82.254888648210056</Real>
-    <Real Name="Time 0.083000 Step 83 in frame 83">-83.005730329297279</Real>
-    <Real Name="Time 0.084000 Step 84 in frame 84">-83.776855790135514</Real>
-    <Real Name="Time 0.085000 Step 85 in frame 85">-84.464189010981386</Real>
-    <Real Name="Time 0.086000 Step 86 in frame 86">-84.941409188230153</Real>
-    <Real Name="Time 0.087000 Step 87 in frame 87">-85.089290243256727</Real>
-    <Real Name="Time 0.088000 Step 88 in frame 88">-84.827772502342839</Real>
-    <Real Name="Time 0.089000 Step 89 in frame 89">-84.139440203066016</Real>
-    <Real Name="Time 0.090000 Step 90 in frame 90">-83.075301806441246</Real>
-    <Real Name="Time 0.091000 Step 91 in frame 91">-81.741896297091415</Real>
-    <Real Name="Time 0.092000 Step 92 in frame 92">-79.956098737850141</Real>
-    <Real Name="Time 0.093000 Step 93 in frame 93">-77.848592918820032</Real>
-    <Real Name="Time 0.094000 Step 94 in frame 94">-75.556143310741092</Real>
-    <Real Name="Time 0.095000 Step 95 in frame 95">-73.205387459851167</Real>
-    <Real Name="Time 0.096000 Step 96 in frame 96">-70.900410415119723</Real>
-    <Real Name="Time 0.097000 Step 97 in frame 97">-68.712660241273511</Real>
-    <Real Name="Time 0.098000 Step 98 in frame 98">-66.681454015849653</Real>
-    <Real Name="Time 0.099000 Step 99 in frame 99">-64.812274192206132</Real>
-    <Real Name="Time 0.100000 Step 100 in frame 100">-63.081207809337776</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1466.0645446442834</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1464.0411179378359</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1466.0645446442834</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1464.0411179378359</Real>
@@ -310,6 +207,109 @@
      <Real Name="Time 0.099000 Step 99 in frame 99">-1483.8650207359062</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">-1484.0093501579659</Real>
    </Energy>
      <Real Name="Time 0.099000 Step 99 in frame 99">-1483.8650207359062</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">-1484.0093501579659</Real>
    </Energy>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.8723566401097</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.7167069130698</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-77.504538019882148</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-77.241986972113608</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-76.94418861569747</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-76.638612657375745</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-76.364325984603042</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-76.499833038534334</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-77.07106726823983</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-78.057734247165712</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-79.391317405669525</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-80.964019165874305</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-82.64642122675059</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-84.309599249022313</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-85.846865312153867</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-87.190729654585908</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-88.321856636036728</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-89.268522352527071</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-90.0970930379018</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-90.895834876066402</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-91.75555464236497</Real>
+    <Real Name="Time 0.021000 Step 21 in frame 21">-92.751062295310703</Real>
+    <Real Name="Time 0.022000 Step 22 in frame 22">-93.854268518833834</Real>
+    <Real Name="Time 0.023000 Step 23 in frame 23">-95.071429270337006</Real>
+    <Real Name="Time 0.024000 Step 24 in frame 24">-96.37134900224018</Real>
+    <Real Name="Time 0.025000 Step 25 in frame 25">-97.687254822341487</Real>
+    <Real Name="Time 0.026000 Step 26 in frame 26">-98.921920110387617</Real>
+    <Real Name="Time 0.027000 Step 27 in frame 27">-99.956057390485597</Real>
+    <Real Name="Time 0.028000 Step 28 in frame 28">-100.66127693461635</Real>
+    <Real Name="Time 0.029000 Step 29 in frame 29">-100.91778504384668</Real>
+    <Real Name="Time 0.030000 Step 30 in frame 30">-100.63480447477396</Real>
+    <Real Name="Time 0.031000 Step 31 in frame 31">-99.768957810073374</Real>
+    <Real Name="Time 0.032000 Step 32 in frame 32">-98.334724693711536</Real>
+    <Real Name="Time 0.033000 Step 33 in frame 33">-96.403243207560195</Real>
+    <Real Name="Time 0.034000 Step 34 in frame 34">-94.090183586608418</Real>
+    <Real Name="Time 0.035000 Step 35 in frame 35">-91.537358681385442</Real>
+    <Real Name="Time 0.036000 Step 36 in frame 36">-88.893864937520505</Real>
+    <Real Name="Time 0.037000 Step 37 in frame 37">-86.395775750000922</Real>
+    <Real Name="Time 0.038000 Step 38 in frame 38">-84.163669661191705</Real>
+    <Real Name="Time 0.039000 Step 39 in frame 39">-82.28691247203065</Real>
+    <Real Name="Time 0.040000 Step 40 in frame 40">-80.820311143939463</Real>
+    <Real Name="Time 0.041000 Step 41 in frame 41">-79.782523306961068</Real>
+    <Real Name="Time 0.042000 Step 42 in frame 42">-79.156401397675268</Real>
+    <Real Name="Time 0.043000 Step 43 in frame 43">-78.892569549919813</Real>
+    <Real Name="Time 0.044000 Step 44 in frame 44">-78.917330236536529</Real>
+    <Real Name="Time 0.045000 Step 45 in frame 45">-79.144600202348073</Real>
+    <Real Name="Time 0.046000 Step 46 in frame 46">-79.48879885603256</Real>
+    <Real Name="Time 0.047000 Step 47 in frame 47">-79.62316937115898</Real>
+    <Real Name="Time 0.048000 Step 48 in frame 48">-79.511622926608709</Real>
+    <Real Name="Time 0.049000 Step 49 in frame 49">-79.137831264951274</Real>
+    <Real Name="Time 0.050000 Step 50 in frame 50">-78.500981173554436</Real>
+    <Real Name="Time 0.051000 Step 51 in frame 51">-77.61254783977364</Real>
+    <Real Name="Time 0.052000 Step 52 in frame 52">-76.642226694475681</Real>
+    <Real Name="Time 0.053000 Step 53 in frame 53">-75.611405004204926</Real>
+    <Real Name="Time 0.054000 Step 54 in frame 54">-74.547715985118685</Real>
+    <Real Name="Time 0.055000 Step 55 in frame 55">-73.484700344204981</Real>
+    <Real Name="Time 0.056000 Step 56 in frame 56">-72.461038497678047</Real>
+    <Real Name="Time 0.057000 Step 57 in frame 57">-71.386039864939818</Real>
+    <Real Name="Time 0.058000 Step 58 in frame 58">-70.31231756759891</Real>
+    <Real Name="Time 0.059000 Step 59 in frame 59">-69.294696073686524</Real>
+    <Real Name="Time 0.060000 Step 60 in frame 60">-68.387160385429056</Real>
+    <Real Name="Time 0.061000 Step 61 in frame 61">-67.639127771841203</Real>
+    <Real Name="Time 0.062000 Step 62 in frame 62">-67.090807058596155</Real>
+    <Real Name="Time 0.063000 Step 63 in frame 63">-66.768023280788043</Real>
+    <Real Name="Time 0.064000 Step 64 in frame 64">-66.67791454926207</Real>
+    <Real Name="Time 0.065000 Step 65 in frame 65">-66.807259748498836</Real>
+    <Real Name="Time 0.066000 Step 66 in frame 66">-67.124409279901585</Real>
+    <Real Name="Time 0.067000 Step 67 in frame 67">-67.788491147784953</Real>
+    <Real Name="Time 0.068000 Step 68 in frame 68">-68.743156746709701</Real>
+    <Real Name="Time 0.069000 Step 69 in frame 69">-69.921891203317557</Real>
+    <Real Name="Time 0.070000 Step 70 in frame 70">-71.253011305740841</Real>
+    <Real Name="Time 0.071000 Step 71 in frame 71">-72.6633831567664</Real>
+    <Real Name="Time 0.072000 Step 72 in frame 72">-74.081439740027378</Real>
+    <Real Name="Time 0.073000 Step 73 in frame 73">-75.440754447786219</Real>
+    <Real Name="Time 0.074000 Step 74 in frame 74">-76.685476532415237</Real>
+    <Real Name="Time 0.075000 Step 75 in frame 75">-77.777893324193315</Real>
+    <Real Name="Time 0.076000 Step 76 in frame 76">-78.706523466566352</Real>
+    <Real Name="Time 0.077000 Step 77 in frame 77">-79.432796870106159</Real>
+    <Real Name="Time 0.078000 Step 78 in frame 78">-80.009735173140726</Real>
+    <Real Name="Time 0.079000 Step 79 in frame 79">-80.511357517342816</Real>
+    <Real Name="Time 0.080000 Step 80 in frame 80">-81.015994031309958</Real>
+    <Real Name="Time 0.081000 Step 81 in frame 81">-81.586945838181578</Real>
+    <Real Name="Time 0.082000 Step 82 in frame 82">-82.254888648210056</Real>
+    <Real Name="Time 0.083000 Step 83 in frame 83">-83.005730329297279</Real>
+    <Real Name="Time 0.084000 Step 84 in frame 84">-83.776855790135514</Real>
+    <Real Name="Time 0.085000 Step 85 in frame 85">-84.464189010981386</Real>
+    <Real Name="Time 0.086000 Step 86 in frame 86">-84.941409188230153</Real>
+    <Real Name="Time 0.087000 Step 87 in frame 87">-85.089290243256727</Real>
+    <Real Name="Time 0.088000 Step 88 in frame 88">-84.827772502342839</Real>
+    <Real Name="Time 0.089000 Step 89 in frame 89">-84.139440203066016</Real>
+    <Real Name="Time 0.090000 Step 90 in frame 90">-83.075301806441246</Real>
+    <Real Name="Time 0.091000 Step 91 in frame 91">-81.741896297091415</Real>
+    <Real Name="Time 0.092000 Step 92 in frame 92">-79.956098737850141</Real>
+    <Real Name="Time 0.093000 Step 93 in frame 93">-77.848592918820032</Real>
+    <Real Name="Time 0.094000 Step 94 in frame 94">-75.556143310741092</Real>
+    <Real Name="Time 0.095000 Step 95 in frame 95">-73.205387459851167</Real>
+    <Real Name="Time 0.096000 Step 96 in frame 96">-70.900410415119723</Real>
+    <Real Name="Time 0.097000 Step 97 in frame 97">-68.712660241273511</Real>
+    <Real Name="Time 0.098000 Step 98 in frame 98">-66.681454015849653</Real>
+    <Real Name="Time 0.099000 Step 99 in frame 99">-64.812274192206132</Real>
+    <Real Name="Time 0.100000 Step 100 in frame 100">-63.081207809337776</Real>
+  </Energy>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Int Name="Length">177</Int>
      <Vector>
@@ -2086,3556 +2086,4 @@
        <Real Name="Z">-256.32515956116606</Real>
      </Vector>
    </Sequence>
        <Real Name="Z">-256.32515956116606</Real>
      </Vector>
    </Sequence>
-  <Sequence Name="Time 0.040000 Step 40 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">693.79815369223968</Real>
-      <Real Name="Y">-390.36441929407209</Real>
-      <Real Name="Z">54.710577492616977</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.974938170523814</Real>
-      <Real Name="Y">-39.875308969799995</Real>
-      <Real Name="Z">518.11171214441538</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">303.33173780175179</Real>
-      <Real Name="Y">269.30264354776301</Real>
-      <Real Name="Z">-702.03405872475503</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-46.782495713763247</Real>
-      <Real Name="Y">-180.51967725256705</Real>
-      <Real Name="Z">-396.01884238244611</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.524357285703545</Real>
-      <Real Name="Y">1520.7075345127323</Real>
-      <Real Name="Z">579.52018048643356</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-253.3481931598088</Real>
-      <Real Name="Y">-634.7530598614012</Real>
-      <Real Name="Z">461.074546915415</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-498.79736474127014</Real>
-      <Real Name="Y">-1732.9560043497872</Real>
-      <Real Name="Z">-952.37602451148041</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.364464343582171</Real>
-      <Real Name="Y">758.49483673975533</Real>
-      <Real Name="Z">-53.780619089886272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-135.38270920686503</Real>
-      <Real Name="Y">386.08297294531332</Real>
-      <Real Name="Z">158.29103164102506</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">12.271265937215389</Real>
-      <Real Name="Y">33.905192639722578</Real>
-      <Real Name="Z">1.5195768834209926</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.06346553411353284</Real>
-      <Real Name="Y">-11.742090662798628</Real>
-      <Real Name="Z">10.97606369572723</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-17.093858758387462</Real>
-      <Real Name="Y">-11.225622046670232</Real>
-      <Real Name="Z">-9.8742671046275969</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.0335157817758045</Real>
-      <Real Name="Y">-9.7149920624907011</Real>
-      <Real Name="Z">-50.078880419175064</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.46469069673456431</Real>
-      <Real Name="Y">2.3982315628647353</Real>
-      <Real Name="Z">19.683544429989553</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">8.6680773219634517</Real>
-      <Real Name="Y">0.82743473356893116</Real>
-      <Real Name="Z">23.164539021553168</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">192.09798095978056</Real>
-      <Real Name="Y">-112.75582012385024</Real>
-      <Real Name="Z">-672.35987741168992</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-190.89586640934152</Real>
-      <Real Name="Y">-42.129752774949878</Real>
-      <Real Name="Z">640.48280526834469</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">28.896622523178181</Real>
-      <Real Name="Y">-0.33072724178046542</Real>
-      <Real Name="Z">119.88466584052814</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">466.56324425214905</Real>
-      <Real Name="Y">1237.1307690030278</Real>
-      <Real Name="Z">-179.36756479028054</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-53.286090103821849</Real>
-      <Real Name="Y">-259.55196845301737</Real>
-      <Real Name="Z">13.64799129339336</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-577.308746780761</Real>
-      <Real Name="Y">-939.97662233851054</Real>
-      <Real Name="Z">96.498644090661571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">455.3383304250562</Real>
-      <Real Name="Y">-462.7017677141211</Real>
-      <Real Name="Z">-495.73528419326828</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-81.17550679640668</Real>
-      <Real Name="Y">172.51218743960857</Real>
-      <Real Name="Z">119.7906489245494</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-506.38633553053694</Real>
-      <Real Name="Y">382.94179002149588</Real>
-      <Real Name="Z">459.16462331690309</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">117.49784932864381</Real>
-      <Real Name="Y">463.37165042062776</Real>
-      <Real Name="Z">226.09222600027422</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-17.439253378993847</Real>
-      <Real Name="Y">-178.09450979140445</Real>
-      <Real Name="Z">-100.67882591749306</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-160.80165620408826</Real>
-      <Real Name="Y">-267.07686177905242</Real>
-      <Real Name="Z">-62.986609278236408</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-428.3171215505389</Real>
-      <Real Name="Y">-68.426192639882231</Real>
-      <Real Name="Z">1005.6115350560759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">422.79045649752726</Real>
-      <Real Name="Y">-57.60027453198343</Real>
-      <Real Name="Z">-917.43138808955882</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">244.90912134708893</Real>
-      <Real Name="Y">-125.01113124771904</Real>
-      <Real Name="Z">-13.678685052797945</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1531.4941741357998</Real>
-      <Real Name="Y">397.984818367755</Real>
-      <Real Name="Z">675.107799148298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-356.9755065158007</Real>
-      <Real Name="Y">-667.70007844719373</Real>
-      <Real Name="Z">-233.7585423056203</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1034.0291453437815</Real>
-      <Real Name="Y">236.03346760994211</Real>
-      <Real Name="Z">-666.97113984222779</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">126.63570106979485</Real>
-      <Real Name="Y">1059.9966438745951</Real>
-      <Real Name="Z">6.5748773391200714</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-104.38783517747892</Real>
-      <Real Name="Y">-531.01751530141917</Real>
-      <Real Name="Z">1.7814731558464381</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.207665367480466</Real>
-      <Real Name="Y">-326.36034885239093</Real>
-      <Real Name="Z">-39.522212613996423</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-156.69923844075558</Real>
-      <Real Name="Y">-54.678616500009241</Real>
-      <Real Name="Z">-816.76195335363491</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-173.31705880097849</Real>
-      <Real Name="Y">298.23475355602278</Real>
-      <Real Name="Z">260.89171587985595</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">426.74999838748045</Real>
-      <Real Name="Y">237.56683890619098</Real>
-      <Real Name="Z">367.21351407417023</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">656.75626596531697</Real>
-      <Real Name="Y">5.1732450755659647</Real>
-      <Real Name="Z">-479.36930655333185</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-336.03753520294231</Real>
-      <Real Name="Y">213.17518061490296</Real>
-      <Real Name="Z">639.06293637418742</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-123.49912224427652</Real>
-      <Real Name="Y">-289.89616944742744</Real>
-      <Real Name="Z">50.728804585497983</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1584.5517588944808</Real>
-      <Real Name="Y">298.31471687679311</Real>
-      <Real Name="Z">-82.491781272748909</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">840.59709794510434</Real>
-      <Real Name="Y">-89.255269281785289</Real>
-      <Real Name="Z">1.6914673805335738</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">284.26651850504129</Real>
-      <Real Name="Y">-17.704982947228778</Real>
-      <Real Name="Z">-122.53126301352552</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-360.99436530419666</Real>
-      <Real Name="Y">61.415595660198733</Real>
-      <Real Name="Z">373.32945717362037</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.864834995639683</Real>
-      <Real Name="Y">22.279190856142122</Real>
-      <Real Name="Z">-107.31547443491087</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">118.28571251074503</Real>
-      <Real Name="Y">-137.42388707030773</Real>
-      <Real Name="Z">-113.16186274425201</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-155.59081179416492</Real>
-      <Real Name="Y">-1083.8687095100222</Real>
-      <Real Name="Z">-155.52436385163884</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.5406244419540229</Real>
-      <Real Name="Y">1207.2181220040602</Real>
-      <Real Name="Z">359.55305665456092</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">242.24234782907092</Real>
-      <Real Name="Y">231.71660423726885</Real>
-      <Real Name="Z">14.907578113701275</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.741708750010943</Real>
-      <Real Name="Y">900.52260046291576</Real>
-      <Real Name="Z">-707.72231709343998</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">53.13045459992469</Real>
-      <Real Name="Y">-549.26577062774584</Real>
-      <Real Name="Z">194.30707583521831</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-219.69099927777077</Real>
-      <Real Name="Y">-527.2144422726102</Real>
-      <Real Name="Z">618.24237317025211</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">63.421962822290531</Real>
-      <Real Name="Y">139.46372559272797</Real>
-      <Real Name="Z">59.880011980440472</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-12.174398292482365</Real>
-      <Real Name="Y">-55.029211425188699</Real>
-      <Real Name="Z">-23.342335951250426</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-32.681827558122649</Real>
-      <Real Name="Y">-48.271487041327596</Real>
-      <Real Name="Z">-34.369328993680561</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-598.4363113234856</Real>
-      <Real Name="Y">867.11105648409637</Real>
-      <Real Name="Z">331.96121073007316</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">663.28353163366091</Real>
-      <Real Name="Y">-602.31053114472525</Real>
-      <Real Name="Z">-307.2971113404277</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">94.426592610785406</Real>
-      <Real Name="Y">-131.9742172188659</Real>
-      <Real Name="Z">-46.46605273809223</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">475.39922359319962</Real>
-      <Real Name="Y">-580.56235211914964</Real>
-      <Real Name="Z">-1571.0578757899759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.095620649942759</Real>
-      <Real Name="Y">302.48551689881191</Real>
-      <Real Name="Z">1049.7188464922137</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-730.2632725277216</Real>
-      <Real Name="Y">87.727169767916763</Real>
-      <Real Name="Z">195.97808307993191</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.191374134400689</Real>
-      <Real Name="Y">94.761309003199329</Real>
-      <Real Name="Z">-392.63746375124617</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.47379533930342</Real>
-      <Real Name="Y">78.589936940219815</Real>
-      <Real Name="Z">175.35817806114721</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.900450265180538</Real>
-      <Real Name="Y">-7.4777394716009091</Real>
-      <Real Name="Z">158.06255357046695</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">325.58296274158954</Real>
-      <Real Name="Y">-257.35261839544427</Real>
-      <Real Name="Z">-48.956443860098432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-413.56981901540189</Real>
-      <Real Name="Y">270.70597704750844</Real>
-      <Real Name="Z">-26.383720943880185</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-75.803770380222716</Real>
-      <Real Name="Y">19.191479992717063</Real>
-      <Real Name="Z">31.954266743019978</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1153.4983962821461</Real>
-      <Real Name="Y">-1029.260755849931</Real>
-      <Real Name="Z">-822.80633699760301</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-543.8116749727609</Real>
-      <Real Name="Y">357.57410586580068</Real>
-      <Real Name="Z">690.35101311528229</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-497.45996481842678</Real>
-      <Real Name="Y">888.0790678747918</Real>
-      <Real Name="Z">280.72844702393627</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.284060234046276</Real>
-      <Real Name="Y">-12.254565481702087</Real>
-      <Real Name="Z">26.999123828614913</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-7.0098181858902269</Real>
-      <Real Name="Y">5.915580075548263</Real>
-      <Real Name="Z">-10.020936019104319</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-5.6857636354811376</Real>
-      <Real Name="Y">6.4797276117258349</Real>
-      <Real Name="Z">-15.363806948318182</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-232.03337905112505</Real>
-      <Real Name="Y">1038.0646633815027</Real>
-      <Real Name="Z">286.13078946961974</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">504.25962480895345</Real>
-      <Real Name="Y">-414.64791445059996</Real>
-      <Real Name="Z">-522.03230180629384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-153.36933265876874</Real>
-      <Real Name="Y">-411.1620562186522</Real>
-      <Real Name="Z">192.71398948492856</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">295.43534527656305</Real>
-      <Real Name="Y">18.153549285255341</Real>
-      <Real Name="Z">-326.94037073013817</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-224.04960596258064</Real>
-      <Real Name="Y">-22.012578287542194</Real>
-      <Real Name="Z">71.024172164210682</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.424798961369575</Real>
-      <Real Name="Y">-12.173268869841435</Real>
-      <Real Name="Z">120.61221342539071</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-317.59847713959948</Real>
-      <Real Name="Y">-1057.5499100765214</Real>
-      <Real Name="Z">-601.10284259265393</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-59.027150819262083</Real>
-      <Real Name="Y">484.54916387361379</Real>
-      <Real Name="Z">-307.59204269740758</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">345.36130249036933</Real>
-      <Real Name="Y">429.77727493880616</Real>
-      <Real Name="Z">683.18008372439897</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-607.60050820173421</Real>
-      <Real Name="Y">274.71922838925684</Real>
-      <Real Name="Z">-337.3184482623974</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">472.61678988346699</Real>
-      <Real Name="Y">-354.26531925520288</Real>
-      <Real Name="Z">346.46868466783008</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.34372758156718</Real>
-      <Real Name="Y">0.27392826404025072</Real>
-      <Real Name="Z">54.547748301661514</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">25.853295076187059</Real>
-      <Real Name="Y">395.09035431376202</Real>
-      <Real Name="Z">48.685440859814804</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-24.446765782933703</Real>
-      <Real Name="Y">-141.24776476784265</Real>
-      <Real Name="Z">-82.74776487713973</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-87.436736311814713</Real>
-      <Real Name="Y">-193.4712448380327</Real>
-      <Real Name="Z">11.981330265463184</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-467.90325604079044</Real>
-      <Real Name="Y">-655.81637546647994</Real>
-      <Real Name="Z">-346.49149405614787</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">92.109674936785325</Real>
-      <Real Name="Y">136.00970364352682</Real>
-      <Real Name="Z">123.30537162347903</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">591.30622397416244</Real>
-      <Real Name="Y">407.66055943005972</Real>
-      <Real Name="Z">278.79173691320551</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-47.880469558046492</Real>
-      <Real Name="Y">-60.383278175076413</Real>
-      <Real Name="Z">-925.37858658890752</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-101.25929940181045</Real>
-      <Real Name="Y">-23.216776712698476</Real>
-      <Real Name="Z">748.62044410464864</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">22.743589903014247</Real>
-      <Real Name="Y">23.980154643692181</Real>
-      <Real Name="Z">231.58332560117276</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-507.9014542328178</Real>
-      <Real Name="Y">-570.54243604991302</Real>
-      <Real Name="Z">-903.96617438961096</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">83.234484013249428</Real>
-      <Real Name="Y">114.01545553451683</Real>
-      <Real Name="Z">234.50531660975221</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">308.86023693970139</Real>
-      <Real Name="Y">447.47380302960164</Real>
-      <Real Name="Z">654.76648916247336</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-609.31551612151475</Real>
-      <Real Name="Y">-304.86774169748344</Real>
-      <Real Name="Z">71.24425684170663</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">474.25886189628926</Real>
-      <Real Name="Y">-16.424616613430352</Real>
-      <Real Name="Z">-47.243450448061907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">250.78163315897726</Real>
-      <Real Name="Y">65.845124911008469</Real>
-      <Real Name="Z">5.5923986557716425</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">477.21126080559924</Real>
-      <Real Name="Y">1015.7541676835483</Real>
-      <Real Name="Z">93.414898503995573</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-78.101682424739209</Real>
-      <Real Name="Y">-175.87404638536918</Real>
-      <Real Name="Z">-22.901310835912781</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-479.58416966902962</Real>
-      <Real Name="Y">-711.89838554064113</Real>
-      <Real Name="Z">-243.7706419672266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1338.4165294453721</Real>
-      <Real Name="Y">14.663378996631629</Real>
-      <Real Name="Z">704.77173090078907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1080.6085651485309</Real>
-      <Real Name="Y">199.3512181402125</Real>
-      <Real Name="Z">-462.74001009010414</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-220.90870159828998</Real>
-      <Real Name="Y">-34.515039895302053</Real>
-      <Real Name="Z">-262.3293945427921</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-336.10792313768718</Real>
-      <Real Name="Y">213.37156584914743</Real>
-      <Real Name="Z">-135.93120858040871</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">131.33417623477249</Real>
-      <Real Name="Y">-126.08764618577973</Real>
-      <Real Name="Z">38.540712030933854</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">174.06853047810617</Real>
-      <Real Name="Y">-24.069711862143976</Real>
-      <Real Name="Z">38.943197018954685</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1058.6756748838627</Real>
-      <Real Name="Y">-319.76586455480384</Real>
-      <Real Name="Z">-59.906262013033952</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-546.64955816343991</Real>
-      <Real Name="Y">65.950213691203999</Real>
-      <Real Name="Z">263.9996989203259</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-310.90481996313048</Real>
-      <Real Name="Y">217.05679662652778</Real>
-      <Real Name="Z">-35.258437410525744</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-241.77266058080428</Real>
-      <Real Name="Y">-1135.5051500435466</Real>
-      <Real Name="Z">-45.44585122873707</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">115.19684244404129</Real>
-      <Real Name="Y">197.73844855707242</Real>
-      <Real Name="Z">-23.788426026604277</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">109.38402814681805</Real>
-      <Real Name="Y">969.51355035433676</Real>
-      <Real Name="Z">62.311038296114667</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">418.1379460404367</Real>
-      <Real Name="Y">967.04272206060205</Real>
-      <Real Name="Z">898.54573115192579</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-198.85969714655812</Real>
-      <Real Name="Y">-773.91949744861563</Real>
-      <Real Name="Z">-659.43259124805559</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-96.60068825214104</Real>
-      <Real Name="Y">-395.25492010154289</Real>
-      <Real Name="Z">-179.9308122652622</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">440.56650841678942</Real>
-      <Real Name="Y">-410.38470618804183</Real>
-      <Real Name="Z">-368.62756435318266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-109.58534387654473</Real>
-      <Real Name="Y">477.88749669060093</Real>
-      <Real Name="Z">67.964624776446868</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-160.38469377742638</Real>
-      <Real Name="Y">14.268724389752975</Real>
-      <Real Name="Z">406.96998836367891</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">473.01264692509062</Real>
-      <Real Name="Y">-533.8288569839026</Real>
-      <Real Name="Z">-73.755200871294704</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-74.908490666891439</Real>
-      <Real Name="Y">776.63418943170348</Real>
-      <Real Name="Z">-17.369714564832222</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-385.57187530308232</Real>
-      <Real Name="Y">-90.688191452946683</Real>
-      <Real Name="Z">244.26445195398392</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-752.78222148769225</Real>
-      <Real Name="Y">874.03644099260896</Real>
-      <Real Name="Z">-386.88993273787867</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">156.77516452137914</Real>
-      <Real Name="Y">-207.25938102497906</Real>
-      <Real Name="Z">95.546566508058078</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">497.73425841319113</Real>
-      <Real Name="Y">-776.07486714550669</Real>
-      <Real Name="Z">406.26985930901361</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1328.3194966304927</Real>
-      <Real Name="Y">-100.74687288983419</Real>
-      <Real Name="Z">231.29021392716518</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-200.73461084803671</Real>
-      <Real Name="Y">79.080191687974093</Real>
-      <Real Name="Z">-59.800900568268048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1093.2249579161232</Real>
-      <Real Name="Y">-53.662076258033096</Real>
-      <Real Name="Z">-130.93480386493064</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-561.81009874671201</Real>
-      <Real Name="Y">-852.74499293675478</Real>
-      <Real Name="Z">295.1949324938019</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">524.58278929084463</Real>
-      <Real Name="Y">772.84151633423903</Real>
-      <Real Name="Z">-23.577407058392268</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.901730563937178</Real>
-      <Real Name="Y">174.60927879870155</Real>
-      <Real Name="Z">-94.108722000508749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-251.73575436570715</Real>
-      <Real Name="Y">-612.40195496392505</Real>
-      <Real Name="Z">881.14783777517573</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">166.20805172688409</Real>
-      <Real Name="Y">453.22533707721209</Real>
-      <Real Name="Z">-656.98997084501457</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.211035679315238</Real>
-      <Real Name="Y">47.723920525614083</Real>
-      <Real Name="Z">-130.2680570528899</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">462.63879612668217</Real>
-      <Real Name="Y">-678.23579549815793</Real>
-      <Real Name="Z">-7.8576266796153362</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-107.5666328114971</Real>
-      <Real Name="Y">274.1985840177058</Real>
-      <Real Name="Z">-44.753419819254134</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-474.83570937382206</Real>
-      <Real Name="Y">352.30841735057282</Real>
-      <Real Name="Z">-7.7582977901127279</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">184.89224393947265</Real>
-      <Real Name="Y">411.85554157018964</Real>
-      <Real Name="Z">29.126491949741496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-108.63351071687877</Real>
-      <Real Name="Y">-154.65837783004923</Real>
-      <Real Name="Z">19.656708770131935</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-15.435791013642083</Real>
-      <Real Name="Y">-155.96309833306765</Real>
-      <Real Name="Z">-30.271404232977375</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.448498353634832</Real>
-      <Real Name="Y">829.97539404585666</Real>
-      <Real Name="Z">94.23120301958366</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.9912875783237567</Real>
-      <Real Name="Y">-157.23155479085116</Real>
-      <Real Name="Z">-52.988957441940016</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.1369746113234243</Real>
-      <Real Name="Y">-764.93823376319267</Real>
-      <Real Name="Z">-57.728962464083097</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">162.89236348026586</Real>
-      <Real Name="Y">-707.07427449772126</Real>
-      <Real Name="Z">-221.7988736957596</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">26.523301810012583</Real>
-      <Real Name="Y">736.0041523371184</Real>
-      <Real Name="Z">209.24747806697275</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-48.037373669645262</Real>
-      <Real Name="Y">155.60404771539163</Real>
-      <Real Name="Z">104.25764863714589</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.04969244229085</Real>
-      <Real Name="Y">692.00708618670728</Real>
-      <Real Name="Z">717.11154244825889</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">62.998221777464877</Real>
-      <Real Name="Y">-165.42352082216121</Real>
-      <Real Name="Z">-99.63109545703621</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">189.50949465332977</Real>
-      <Real Name="Y">-796.86490097207979</Real>
-      <Real Name="Z">-670.50471091960389</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-199.60190284165952</Real>
-      <Real Name="Y">213.13798802914675</Real>
-      <Real Name="Z">-338.35558498809326</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">70.505226326624779</Real>
-      <Real Name="Y">-218.57861167367162</Real>
-      <Real Name="Z">323.88299126622275</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">109.5802983639027</Real>
-      <Real Name="Y">-68.460217478443283</Real>
-      <Real Name="Z">72.338444192718015</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1045.2736239956478</Real>
-      <Real Name="Y">-113.09046184273281</Real>
-      <Real Name="Z">-58.138231366945782</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">806.23883677109825</Real>
-      <Real Name="Y">-115.19495146619019</Real>
-      <Real Name="Z">-76.241650065767402</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">317.98733087924495</Real>
-      <Real Name="Y">10.925063047931609</Real>
-      <Real Name="Z">11.935007702736613</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1324.8870293113018</Real>
-      <Real Name="Y">-46.386549580777739</Real>
-      <Real Name="Z">-223.36422813095916</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">224.12790871267282</Real>
-      <Real Name="Y">-141.92601249543753</Real>
-      <Real Name="Z">131.06316292930177</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1126.7990375084644</Real>
-      <Real Name="Y">244.33901882463624</Real>
-      <Real Name="Z">159.71286426769348</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-464.12679293405074</Real>
-      <Real Name="Y">1512.2647247725349</Real>
-      <Real Name="Z">-259.29420013269953</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">36.332127364334227</Real>
-      <Real Name="Y">-730.72735120704624</Real>
-      <Real Name="Z">-336.27671118200675</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">543.844014275787</Real>
-      <Real Name="Y">-626.94066876973056</Real>
-      <Real Name="Z">582.9080308368915</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">319.14386588904239</Real>
-      <Real Name="Y">700.48267298206292</Real>
-      <Real Name="Z">312.20367391367569</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.34323628415823</Real>
-      <Real Name="Y">-117.71731627331583</Real>
-      <Real Name="Z">-124.99239997399621</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-164.81539665059239</Real>
-      <Real Name="Y">-648.85868641307218</Real>
-      <Real Name="Z">-162.22161810389107</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">753.59174680051319</Real>
-      <Real Name="Y">-1452.1502505197157</Real>
-      <Real Name="Z">914.18031609774459</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-79.522671635316385</Real>
-      <Real Name="Y">955.3297675449013</Real>
-      <Real Name="Z">160.74330086631693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-820.59881692643194</Real>
-      <Real Name="Y">484.32118094109336</Real>
-      <Real Name="Z">-729.91543008396684</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">765.93961452739927</Real>
-      <Real Name="Y">-1992.1919602435084</Real>
-      <Real Name="Z">-617.67506599339913</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-175.58930185707419</Real>
-      <Real Name="Y">1093.1976072483401</Real>
-      <Real Name="Z">56.202491063374573</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-521.8738414652355</Real>
-      <Real Name="Y">503.61573277510945</Real>
-      <Real Name="Z">258.93274330122478</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">213.41892444911409</Real>
-      <Real Name="Y">609.26201506226982</Real>
-      <Real Name="Z">943.78153949300281</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-107.29166563416928</Real>
-      <Real Name="Y">-679.51512926709643</Real>
-      <Real Name="Z">-837.19855935846942</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-77.069671706191485</Real>
-      <Real Name="Y">-35.670524561943857</Real>
-      <Real Name="Z">-204.42797279376742</Real>
-    </Vector>
-  </Sequence>
-  <Sequence Name="Time 0.060000 Step 60 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">-389.48521184246658</Real>
-      <Real Name="Y">150.80867911810898</Real>
-      <Real Name="Z">1069.9549281192863</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">35.215855807575977</Real>
-      <Real Name="Y">229.4571198622163</Real>
-      <Real Name="Z">-598.20696671353426</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">11.383061165166644</Real>
-      <Real Name="Y">-97.495197765021146</Real>
-      <Real Name="Z">89.690785172488958</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">19.317183459296459</Real>
-      <Real Name="Y">-29.216576749912932</Real>
-      <Real Name="Z">20.181990589683959</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">726.09578903061333</Real>
-      <Real Name="Y">52.318665199288077</Real>
-      <Real Name="Z">-765.9376827817581</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-89.469921442818517</Real>
-      <Real Name="Y">-33.617655890167427</Real>
-      <Real Name="Z">-14.915505627204944</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-510.54929724867014</Real>
-      <Real Name="Y">-424.73016216193486</Real>
-      <Real Name="Z">150.37997299666782</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.009693997091553</Real>
-      <Real Name="Y">-2.9183046556527348</Real>
-      <Real Name="Z">-102.80521196166973</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.70792962267109</Real>
-      <Real Name="Y">238.90131925393391</Real>
-      <Real Name="Z">54.792219689895617</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">11.940725844342353</Real>
-      <Real Name="Y">53.678704621736301</Real>
-      <Real Name="Z">6.956716717966188</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.86847464743122771</Real>
-      <Real Name="Y">-23.768068456109638</Real>
-      <Real Name="Z">9.6510115957689209</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-12.689526594739533</Real>
-      <Real Name="Y">-15.621466679021481</Real>
-      <Real Name="Z">-15.52783629431487</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.6598848334416942</Real>
-      <Real Name="Y">-33.931215355221724</Real>
-      <Real Name="Z">-52.126793480503778</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.1454966442467747</Real>
-      <Real Name="Y">13.829256308667627</Real>
-      <Real Name="Z">19.995125669036511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">8.177016947710527</Real>
-      <Real Name="Y">11.946682136519451</Real>
-      <Real Name="Z">22.938506003425857</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">216.32821582804698</Real>
-      <Real Name="Y">-166.30841632667028</Real>
-      <Real Name="Z">-620.72667879711832</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-143.87096807951806</Real>
-      <Real Name="Y">121.95126578331384</Real>
-      <Real Name="Z">664.24334659144927</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.3101915916343216</Real>
-      <Real Name="Y">14.995196272137434</Real>
-      <Real Name="Z">118.90123329427496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">757.80934858003798</Real>
-      <Real Name="Y">1814.7988048507714</Real>
-      <Real Name="Z">-108.78797382889712</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.127521075048179</Real>
-      <Real Name="Y">-234.99657137802959</Real>
-      <Real Name="Z">-4.8377548765911342</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-640.55016029051683</Real>
-      <Real Name="Y">-1134.3794550671289</Real>
-      <Real Name="Z">-11.262027027911031</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">553.462071323847</Real>
-      <Real Name="Y">-628.62179614142644</Real>
-      <Real Name="Z">-696.42174740610824</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-76.819241707879115</Real>
-      <Real Name="Y">184.83707701807856</Real>
-      <Real Name="Z">120.22416215490944</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-568.80606669622273</Real>
-      <Real Name="Y">388.85410708968124</Real>
-      <Real Name="Z">515.30072603343694</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">97.480744191250565</Real>
-      <Real Name="Y">510.41222773081495</Real>
-      <Real Name="Z">38.732799777629907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.3836211310371151</Real>
-      <Real Name="Y">-179.85276889436153</Real>
-      <Real Name="Z">-77.321996729389753</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.372306707893941</Real>
-      <Real Name="Y">-217.34568107473635</Real>
-      <Real Name="Z">-8.8192642273732247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-635.51440794675557</Real>
-      <Real Name="Y">261.32866602021193</Real>
-      <Real Name="Z">1443.3049064320917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">554.52583614931712</Real>
-      <Real Name="Y">-110.42217487306996</Real>
-      <Real Name="Z">-1068.1386908023919</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">213.91460965755633</Real>
-      <Real Name="Y">-207.99700590441699</Real>
-      <Real Name="Z">-67.95093650757947</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1147.1683792302917</Real>
-      <Real Name="Y">332.72848344858323</Real>
-      <Real Name="Z">350.00082620885394</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.06128617134624</Real>
-      <Real Name="Y">-683.06959227601067</Real>
-      <Real Name="Z">-196.45306588974063</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-902.50311949083789</Real>
-      <Real Name="Y">348.24124997231274</Real>
-      <Real Name="Z">-452.21886878826513</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-394.59937577716744</Real>
-      <Real Name="Y">818.43787996201684</Real>
-      <Real Name="Z">-56.176665366784356</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.218765610380586</Real>
-      <Real Name="Y">-589.83769159781218</Real>
-      <Real Name="Z">62.965482817022462</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-131.78093155032025</Real>
-      <Real Name="Y">-405.41973744902737</Real>
-      <Real Name="Z">51.592981927728523</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-446.94217896825938</Real>
-      <Real Name="Y">-277.6798714455112</Real>
-      <Real Name="Z">-1210.905676240965</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-47.408038099622281</Real>
-      <Real Name="Y">166.214355384534</Real>
-      <Real Name="Z">403.90208172204592</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">552.32598689453323</Real>
-      <Real Name="Y">64.206318498659755</Real>
-      <Real Name="Z">809.69599635724546</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">707.12142333276495</Real>
-      <Real Name="Y">-332.52028272102689</Real>
-      <Real Name="Z">-847.38090116671799</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-252.70788993445316</Real>
-      <Real Name="Y">154.36590391000101</Real>
-      <Real Name="Z">271.04968165010632</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-92.85196885729863</Real>
-      <Real Name="Y">-279.24324250224976</Real>
-      <Real Name="Z">36.932768423870925</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-885.24778290993891</Real>
-      <Real Name="Y">309.28125589221037</Real>
-      <Real Name="Z">143.60552578910713</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">790.04658589960354</Real>
-      <Real Name="Y">-171.37881843648063</Real>
-      <Real Name="Z">38.269592410789322</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">146.44350457903823</Real>
-      <Real Name="Y">-13.179663584564484</Real>
-      <Real Name="Z">-165.6447990218004</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-26.19602789801479</Real>
-      <Real Name="Y">2.1715338570852225</Real>
-      <Real Name="Z">457.01996941709592</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-53.404185881426194</Real>
-      <Real Name="Y">103.07727876508211</Real>
-      <Real Name="Z">-173.10364628861316</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">24.069933736888828</Real>
-      <Real Name="Y">-40.045565562989708</Real>
-      <Real Name="Z">-111.21951821617529</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">146.71819942075876</Real>
-      <Real Name="Y">-1545.0397280172444</Real>
-      <Real Name="Z">-330.47487374942068</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-104.62261837031187</Real>
-      <Real Name="Y">1133.4866734546499</Real>
-      <Real Name="Z">289.27616525563894</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">156.12945914488742</Real>
-      <Real Name="Y">372.62263227294517</Real>
-      <Real Name="Z">30.272216511970214</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">924.60721995132394</Real>
-      <Real Name="Y">950.20111588201939</Real>
-      <Real Name="Z">-323.71720152140585</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-150.20136428291863</Real>
-      <Real Name="Y">-397.13254290643778</Real>
-      <Real Name="Z">162.4855141837582</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-466.04116733327618</Real>
-      <Real Name="Y">-660.48797512221392</Real>
-      <Real Name="Z">562.03694971796756</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">66.08326711351188</Real>
-      <Real Name="Y">124.67482599200372</Real>
-      <Real Name="Z">97.118723516388087</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.229044128012964</Real>
-      <Real Name="Y">-55.746586678181771</Real>
-      <Real Name="Z">-36.067982473585815</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-26.107282451196689</Real>
-      <Real Name="Y">-44.757281983944949</Real>
-      <Real Name="Z">-54.630833592895613</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-500.1800360470765</Real>
-      <Real Name="Y">1045.5941532978811</Real>
-      <Real Name="Z">520.92121851225181</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">298.27814779703749</Real>
-      <Real Name="Y">-755.52900959986277</Real>
-      <Real Name="Z">-501.81523203952753</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">115.04596002007911</Real>
-      <Real Name="Y">-164.35026142670452</Real>
-      <Real Name="Z">-85.657526732088499</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.72637907793143</Real>
-      <Real Name="Y">-65.538426012660977</Real>
-      <Real Name="Z">-389.90827964705375</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-96.3645277662512</Real>
-      <Real Name="Y">384.55433419786686</Real>
-      <Real Name="Z">860.37467769784428</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-416.43058161962108</Real>
-      <Real Name="Y">67.652402162826533</Real>
-      <Real Name="Z">31.666445624489807</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.734251313742391</Real>
-      <Real Name="Y">-46.284432766682585</Real>
-      <Real Name="Z">-472.70854008830918</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-33.72812394605625</Real>
-      <Real Name="Y">71.16228005245307</Real>
-      <Real Name="Z">182.92901894884693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">23.007510186271858</Real>
-      <Real Name="Y">12.456719766018999</Real>
-      <Real Name="Z">170.61364709605638</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">425.80657018760036</Real>
-      <Real Name="Y">-411.3614847027319</Real>
-      <Real Name="Z">-123.12349572668572</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-448.39422275338131</Real>
-      <Real Name="Y">449.56045621219607</Real>
-      <Real Name="Z">183.01218913835163</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-114.34815444295289</Real>
-      <Real Name="Y">35.257420791054642</Real>
-      <Real Name="Z">56.259024244806639</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">388.48851837001854</Real>
-      <Real Name="Y">-1046.0925044652204</Real>
-      <Real Name="Z">-502.82732028965148</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-437.07595840101902</Real>
-      <Real Name="Y">419.12616131886722</Real>
-      <Real Name="Z">580.94445028804091</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-189.90388016793028</Real>
-      <Real Name="Y">562.79835107824238</Real>
-      <Real Name="Z">143.18840542632165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">9.7106363085723544</Real>
-      <Real Name="Y">3.1316802297745312</Real>
-      <Real Name="Z">19.885968724063218</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-5.5483066195968505</Real>
-      <Real Name="Y">-1.5522416713415339</Real>
-      <Real Name="Z">-6.5343202899433876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.0801868363178517</Real>
-      <Real Name="Y">-3.2079068899512322</Real>
-      <Real Name="Z">-11.76264884850773</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-168.62794633434353</Real>
-      <Real Name="Y">1063.2380868339801</Real>
-      <Real Name="Z">-2.3127056045556031</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">414.93878790908497</Real>
-      <Real Name="Y">-456.40240969785913</Real>
-      <Real Name="Z">-418.97487724572972</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-253.62097856756307</Real>
-      <Real Name="Y">-392.39283900702219</Real>
-      <Real Name="Z">332.48078948295358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">250.21231707571556</Real>
-      <Real Name="Y">62.996157520253334</Real>
-      <Real Name="Z">-362.23863713815496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-143.67706065790338</Real>
-      <Real Name="Y">-63.114964297476973</Real>
-      <Real Name="Z">74.999243797575218</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-14.648204848062992</Real>
-      <Real Name="Y">-17.42087739032776</Real>
-      <Real Name="Z">156.94925494279784</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-355.35816795408698</Real>
-      <Real Name="Y">-1387.3804427718858</Real>
-      <Real Name="Z">-362.50830142526104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">32.650522728498643</Real>
-      <Real Name="Y">532.56869448547559</Real>
-      <Real Name="Z">-294.78701682933536</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">212.36734756414077</Real>
-      <Real Name="Y">635.17461968928524</Real>
-      <Real Name="Z">516.75176497758184</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-488.63359238697552</Real>
-      <Real Name="Y">250.31793816306899</Real>
-      <Real Name="Z">-275.04619266433349</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">447.39835515584332</Real>
-      <Real Name="Y">-333.26080400562523</Real>
-      <Real Name="Z">297.39614621698325</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">149.53904588939838</Real>
-      <Real Name="Y">-4.6312447635460501</Real>
-      <Real Name="Z">78.372466636551636</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">201.65702772709827</Real>
-      <Real Name="Y">70.901172294867337</Real>
-      <Real Name="Z">147.38263141857104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-88.416128738203582</Real>
-      <Real Name="Y">-97.723097079642827</Real>
-      <Real Name="Z">-108.18587655821516</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-144.39702222021677</Real>
-      <Real Name="Y">-243.26994312701143</Real>
-      <Real Name="Z">-0.24238140922607165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-637.29123030668495</Real>
-      <Real Name="Y">-480.33407167525621</Real>
-      <Real Name="Z">-276.16864930703662</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">165.88240953532767</Real>
-      <Real Name="Y">179.29314779972822</Real>
-      <Real Name="Z">152.73579045842919</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">486.63929471276595</Real>
-      <Real Name="Y">339.9903841421791</Real>
-      <Real Name="Z">254.29581670336108</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">281.11921512643499</Real>
-      <Real Name="Y">-124.09185895981983</Real>
-      <Real Name="Z">-1101.3938028323046</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-318.27999099485123</Real>
-      <Real Name="Y">43.148018625670602</Real>
-      <Real Name="Z">752.2137927362669</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-72.661398092550741</Real>
-      <Real Name="Y">44.953173155117881</Real>
-      <Real Name="Z">260.36389687511161</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-402.41808615309526</Real>
-      <Real Name="Y">-527.59656585080779</Real>
-      <Real Name="Z">-784.18409938955915</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">97.403375552252896</Real>
-      <Real Name="Y">94.09398703197337</Real>
-      <Real Name="Z">161.91687652746936</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">155.96696994812521</Real>
-      <Real Name="Y">391.94290957963705</Real>
-      <Real Name="Z">735.69049585965604</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-612.59917955735273</Real>
-      <Real Name="Y">-173.56594310523261</Real>
-      <Real Name="Z">80.601793218782547</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">374.14312303039554</Real>
-      <Real Name="Y">16.208262836987657</Real>
-      <Real Name="Z">-6.4694356291145354</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">203.34972831609531</Real>
-      <Real Name="Y">103.17932129909292</Real>
-      <Real Name="Z">32.642892900706101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1303.1381763738957</Real>
-      <Real Name="Y">1699.0096484679843</Real>
-      <Real Name="Z">42.743834128461714</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-221.93762675661992</Real>
-      <Real Name="Y">-225.51810811530538</Real>
-      <Real Name="Z">33.042716270844011</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-701.16425082360956</Real>
-      <Real Name="Y">-1272.5730967088764</Real>
-      <Real Name="Z">-137.61830076322164</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">917.65040231233434</Real>
-      <Real Name="Y">-326.28571134219828</Real>
-      <Real Name="Z">838.1302237131265</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-888.95053000462406</Real>
-      <Real Name="Y">69.181000116478145</Real>
-      <Real Name="Z">-483.02938868809088</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-276.17847420991296</Real>
-      <Real Name="Y">-92.592752765351065</Real>
-      <Real Name="Z">-317.11204996250297</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-391.51279909076186</Real>
-      <Real Name="Y">197.59658964578963</Real>
-      <Real Name="Z">-192.23713927827805</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">127.55958478297683</Real>
-      <Real Name="Y">-115.71265426359427</Real>
-      <Real Name="Z">61.977340751880959</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">165.38545336404536</Real>
-      <Real Name="Y">-8.6623444308787576</Real>
-      <Real Name="Z">44.106719253538003</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">874.97548014149038</Real>
-      <Real Name="Y">-299.85907039455947</Real>
-      <Real Name="Z">-148.13224193637905</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-318.69523576437166</Real>
-      <Real Name="Y">77.942915769342022</Real>
-      <Real Name="Z">72.229082953364966</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-336.78450072282209</Real>
-      <Real Name="Y">382.25319246431957</Real>
-      <Real Name="Z">-94.458069983738881</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-430.03996922440984</Real>
-      <Real Name="Y">-1036.9046132812364</Real>
-      <Real Name="Z">105.21411299558571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">160.88059288894723</Real>
-      <Real Name="Y">171.96951520954482</Real>
-      <Real Name="Z">-135.67267305621789</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">175.05609506684414</Real>
-      <Real Name="Y">921.22671253185672</Real>
-      <Real Name="Z">45.477575556080474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.508542660919137</Real>
-      <Real Name="Y">863.68004351882837</Real>
-      <Real Name="Z">781.80532189948065</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-149.40849112652521</Real>
-      <Real Name="Y">-756.33516347155125</Real>
-      <Real Name="Z">-712.14588034222754</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.038400633146367</Real>
-      <Real Name="Y">-328.23817895357814</Real>
-      <Real Name="Z">-182.24281849041404</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">157.17272472300459</Real>
-      <Real Name="Y">-239.35072092432708</Real>
-      <Real Name="Z">-427.92544471872185</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-251.77198610614795</Real>
-      <Real Name="Y">502.54559339517732</Real>
-      <Real Name="Z">166.85433673756108</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.199290094483111</Real>
-      <Real Name="Y">18.625876283590401</Real>
-      <Real Name="Z">409.27681976530704</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">486.51587283048212</Real>
-      <Real Name="Y">-1172.3190881487174</Real>
-      <Real Name="Z">-215.90811209861647</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.187101638985041</Real>
-      <Real Name="Y">896.47746433412181</Real>
-      <Real Name="Z">-21.661384517858348</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-571.87423625314898</Real>
-      <Real Name="Y">43.056967937428084</Real>
-      <Real Name="Z">192.64870741516336</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-553.78076945819021</Real>
-      <Real Name="Y">849.14464636213609</Real>
-      <Real Name="Z">-369.33246159334817</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">141.61408336253837</Real>
-      <Real Name="Y">-231.95697570227708</Real>
-      <Real Name="Z">84.075512717477693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">363.87603787124476</Real>
-      <Real Name="Y">-645.16810054095515</Real>
-      <Real Name="Z">448.82591738447633</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1888.3965930284335</Real>
-      <Real Name="Y">76.389759561518318</Real>
-      <Real Name="Z">273.3111123136585</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-207.13841510372868</Real>
-      <Real Name="Y">81.647868907211176</Real>
-      <Real Name="Z">-58.925060148085272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1095.7830321348315</Real>
-      <Real Name="Y">-103.23185554890068</Real>
-      <Real Name="Z">-290.87799593409568</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-609.57618291409665</Real>
-      <Real Name="Y">-1044.5233884201209</Real>
-      <Real Name="Z">407.71042302143462</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">658.6783053226452</Real>
-      <Real Name="Y">644.20085354306468</Real>
-      <Real Name="Z">-174.38245743844794</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">126.07314421176241</Real>
-      <Real Name="Y">213.50612440222159</Real>
-      <Real Name="Z">-114.47318303503468</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-217.04597459665914</Real>
-      <Real Name="Y">-399.56480480516672</Real>
-      <Real Name="Z">492.76108962896342</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">50.496996135409631</Real>
-      <Real Name="Y">411.18926367043304</Real>
-      <Real Name="Z">-478.03458745096799</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">8.1820575807360285</Real>
-      <Real Name="Y">49.605465334808549</Real>
-      <Real Name="Z">-89.481673361102594</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">551.72981359494736</Real>
-      <Real Name="Y">-494.53315491945153</Real>
-      <Real Name="Z">-263.77285676916756</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-106.92931507559089</Real>
-      <Real Name="Y">221.99785038147621</Real>
-      <Real Name="Z">4.1534996815670411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-586.8921786280165</Real>
-      <Real Name="Y">162.19353170363175</Real>
-      <Real Name="Z">296.75430685755555</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">48.88394849587749</Real>
-      <Real Name="Y">332.69126740489304</Real>
-      <Real Name="Z">143.67074800907244</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-101.74392933003423</Real>
-      <Real Name="Y">-195.92670165555725</Real>
-      <Real Name="Z">-14.434401249180954</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">22.178525848661607</Real>
-      <Real Name="Y">-139.29234098713022</Real>
-      <Real Name="Z">-61.380369294073432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-85.590716871116427</Real>
-      <Real Name="Y">1013.6221622617455</Real>
-      <Real Name="Z">141.75683662830585</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.485068534515669</Real>
-      <Real Name="Y">-144.622790502237</Real>
-      <Real Name="Z">-57.132558761851143</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.43105491833231</Real>
-      <Real Name="Y">-855.71489663193051</Real>
-      <Real Name="Z">-152.44907254501692</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">141.04533900370595</Real>
-      <Real Name="Y">-828.37046589235968</Real>
-      <Real Name="Z">-489.94165651435964</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">145.23325317438528</Real>
-      <Real Name="Y">749.73857071825375</Real>
-      <Real Name="Z">224.2175258878496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.75678968842638</Real>
-      <Real Name="Y">96.209403207902852</Real>
-      <Real Name="Z">120.37610985887764</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">30.120487026539635</Real>
-      <Real Name="Y">937.51111656872138</Real>
-      <Real Name="Z">575.62224791973017</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-60.235812611157314</Real>
-      <Real Name="Y">-162.04378384107585</Real>
-      <Real Name="Z">-90.760954994656601</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">81.297813221145319</Real>
-      <Real Name="Y">-784.5706972950494</Real>
-      <Real Name="Z">-431.6040073130979</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-103.09258602407516</Real>
-      <Real Name="Y">271.44311637863581</Real>
-      <Real Name="Z">-542.10892110976806</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">42.80507821910173</Real>
-      <Real Name="Y">-348.74960873073849</Real>
-      <Real Name="Z">544.27754783309001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">84.977310245326663</Real>
-      <Real Name="Y">-87.614704687568803</Real>
-      <Real Name="Z">124.37097082954084</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1358.0905352372893</Real>
-      <Real Name="Y">197.23097681006544</Real>
-      <Real Name="Z">55.329811430777539</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1030.4503890321892</Real>
-      <Real Name="Y">-281.40203880595959</Real>
-      <Real Name="Z">-6.7409975731880252</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">265.1041288859924</Real>
-      <Real Name="Y">-36.213484678103129</Real>
-      <Real Name="Z">-2.1561403568936157</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-987.19589307079173</Real>
-      <Real Name="Y">125.93019704906847</Real>
-      <Real Name="Z">-188.70800878188021</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">147.76134645404773</Real>
-      <Real Name="Y">-183.95555651109089</Real>
-      <Real Name="Z">184.71140456669391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1060.6551083152553</Real>
-      <Real Name="Y">172.40173463563613</Real>
-      <Real Name="Z">61.882782854305312</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-725.7672897091968</Real>
-      <Real Name="Y">1452.9192418005703</Real>
-      <Real Name="Z">-1053.705914625489</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2.0805520727013</Real>
-      <Real Name="Y">-529.53596320548979</Real>
-      <Real Name="Z">-234.64565863843407</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">211.59842247534363</Real>
-      <Real Name="Y">-810.36253768904498</Real>
-      <Real Name="Z">757.87332637910833</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">461.76653457164184</Real>
-      <Real Name="Y">1116.9789783588603</Real>
-      <Real Name="Z">578.02238632893432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-49.826700816850341</Real>
-      <Real Name="Y">-105.2805188799652</Real>
-      <Real Name="Z">-131.08358799468323</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-383.73510029313547</Real>
-      <Real Name="Y">-756.5457180469383</Real>
-      <Real Name="Z">-476.11740222717492</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">474.53794104446018</Real>
-      <Real Name="Y">-1256.8511608845076</Real>
-      <Real Name="Z">576.64471711566318</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">207.7280599828311</Real>
-      <Real Name="Y">918.66020890114498</Real>
-      <Real Name="Z">-120.44472562734418</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-671.98899325102707</Real>
-      <Real Name="Y">449.13350345815422</Real>
-      <Real Name="Z">-815.9688109372986</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">840.09999280195598</Real>
-      <Real Name="Y">-1322.033605206492</Real>
-      <Real Name="Z">-199.64330690279849</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-244.56596485844008</Real>
-      <Real Name="Y">986.09522968474198</Real>
-      <Real Name="Z">68.730932289299176</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-380.62249192053036</Real>
-      <Real Name="Y">421.23122825840414</Real>
-      <Real Name="Z">210.58736921348384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">366.97189913872432</Real>
-      <Real Name="Y">521.48198778764186</Real>
-      <Real Name="Z">941.1433577111568</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-208.12694019350394</Real>
-      <Real Name="Y">-672.27132140353524</Real>
-      <Real Name="Z">-563.57045202533675</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-94.152199013393783</Real>
-      <Real Name="Y">1.4640290445417961</Real>
-      <Real Name="Z">-203.15221635963428</Real>
-    </Vector>
-  </Sequence>
-  <Sequence Name="Time 0.080000 Step 80 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">417.48313581710227</Real>
-      <Real Name="Y">-1660.5583323946253</Real>
-      <Real Name="Z">745.1288554135698</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.125857663098419</Real>
-      <Real Name="Y">3.1858859084688347</Real>
-      <Real Name="Z">-23.828802696090502</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-676.77789720623366</Real>
-      <Real Name="Y">130.79487614674301</Real>
-      <Real Name="Z">94.728665655805713</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.897305257888235</Real>
-      <Real Name="Y">897.37759920111489</Real>
-      <Real Name="Z">104.01795851324815</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1092.9509197024086</Real>
-      <Real Name="Y">489.05127990095872</Real>
-      <Real Name="Z">-1733.9507997566086</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-859.47247873686104</Real>
-      <Real Name="Y">-446.91276435745016</Real>
-      <Real Name="Z">228.12616034970992</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1217.8302829061527</Real>
-      <Real Name="Y">1449.3693504398129</Real>
-      <Real Name="Z">528.85659862114073</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1009.7447680721041</Real>
-      <Real Name="Y">-379.946527723239</Real>
-      <Real Name="Z">84.257862629016046</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">454.17186019312311</Real>
-      <Real Name="Y">-466.24597165799292</Real>
-      <Real Name="Z">-12.80499375153417</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">18.699216953351318</Real>
-      <Real Name="Y">86.117309623008879</Real>
-      <Real Name="Z">-5.5601621194502684</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-11.396351940605037</Real>
-      <Real Name="Y">-41.471792180051352</Real>
-      <Real Name="Z">13.057904103461119</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.039670957727125</Real>
-      <Real Name="Y">-35.051184089052704</Real>
-      <Real Name="Z">-14.204692411084473</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.7531601265988925</Real>
-      <Real Name="Y">-42.174406074258073</Real>
-      <Real Name="Z">-60.03794000349157</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.032788710332230409</Real>
-      <Real Name="Y">18.736094499523798</Real>
-      <Real Name="Z">27.535824865739869</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.5571909236487258</Real>
-      <Real Name="Y">13.885300125209159</Real>
-      <Real Name="Z">25.93811034248931</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">264.15885817563401</Real>
-      <Real Name="Y">-204.11474699794846</Real>
-      <Real Name="Z">-448.99209199553417</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-286.92699378722364</Real>
-      <Real Name="Y">291.48123448703393</Real>
-      <Real Name="Z">399.26036506335373</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-42.310636923052627</Real>
-      <Real Name="Y">20.052604565870038</Real>
-      <Real Name="Z">141.72764036618545</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">458.43553524080528</Real>
-      <Real Name="Y">1870.2694913120299</Real>
-      <Real Name="Z">18.59824039528187</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.073446955553763</Real>
-      <Real Name="Y">-282.70625199375331</Real>
-      <Real Name="Z">17.952957421343548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-228.579932480667</Real>
-      <Real Name="Y">-1185.6491819114631</Real>
-      <Real Name="Z">2.170561152438907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">695.92925412569707</Real>
-      <Real Name="Y">-828.70347308473913</Real>
-      <Real Name="Z">-1073.3377398440537</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-74.601474593544381</Real>
-      <Real Name="Y">172.74115888602307</Real>
-      <Real Name="Z">129.12307602646146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-368.72269830692534</Real>
-      <Real Name="Y">473.89448422073468</Real>
-      <Real Name="Z">820.48827148910527</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">38.643236053293968</Real>
-      <Real Name="Y">509.30443383540182</Real>
-      <Real Name="Z">295.91351087619</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">6.4692848691631077</Real>
-      <Real Name="Y">-141.58091869550196</Real>
-      <Real Name="Z">-108.97409821426174</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-76.824254509499838</Real>
-      <Real Name="Y">-226.94268660746098</Real>
-      <Real Name="Z">-57.189861252544326</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-838.87892231992578</Real>
-      <Real Name="Y">402.62837296308936</Real>
-      <Real Name="Z">1505.8198295117813</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">589.65731013198899</Real>
-      <Real Name="Y">-104.28382526362206</Real>
-      <Real Name="Z">-1159.6189120058636</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">137.14513269378944</Real>
-      <Real Name="Y">-139.61265746895691</Real>
-      <Real Name="Z">-153.18197635278827</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1241.4943597622923</Real>
-      <Real Name="Y">202.74190604981388</Real>
-      <Real Name="Z">88.584487834631531</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-248.02397182473484</Real>
-      <Real Name="Y">-500.64258586277879</Real>
-      <Real Name="Z">-14.205002329278631</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1161.9256915600979</Real>
-      <Real Name="Y">277.2457566216558</Real>
-      <Real Name="Z">-392.57951689989346</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">78.306458917731078</Real>
-      <Real Name="Y">551.71092912183826</Real>
-      <Real Name="Z">-182.64447460452976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-189.9888911192206</Real>
-      <Real Name="Y">-492.38648892642391</Real>
-      <Real Name="Z">78.885549229949703</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-179.25985792694883</Real>
-      <Real Name="Y">-185.83010404318685</Real>
-      <Real Name="Z">100.33032570536751</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-359.67387384421727</Real>
-      <Real Name="Y">-182.69020217599819</Real>
-      <Real Name="Z">-1025.9294802350314</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-126.92919397985645</Real>
-      <Real Name="Y">163.32233551990771</Real>
-      <Real Name="Z">450.83390986526723</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">781.85327177238059</Real>
-      <Real Name="Y">-49.687375006206267</Real>
-      <Real Name="Z">638.88593209796761</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.203280768021022</Real>
-      <Real Name="Y">52.901838092009413</Real>
-      <Real Name="Z">-697.69900134900831</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-232.05821266536435</Real>
-      <Real Name="Y">223.19265708807245</Real>
-      <Real Name="Z">732.80376019718653</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1.4280176718089521</Real>
-      <Real Name="Y">-180.68738157511387</Real>
-      <Real Name="Z">77.48224315251295</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-796.00462902465881</Real>
-      <Real Name="Y">179.41199121882985</Real>
-      <Real Name="Z">-90.302719322760765</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">665.8801619221324</Real>
-      <Real Name="Y">-371.53329876652242</Real>
-      <Real Name="Z">125.95336454367821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">334.50433546637589</Real>
-      <Real Name="Y">172.11081935537504</Real>
-      <Real Name="Z">-254.68240814744115</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-80.302005503463377</Real>
-      <Real Name="Y">-214.67905351187289</Real>
-      <Real Name="Z">368.85487745345324</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-84.030281362201336</Real>
-      <Real Name="Y">247.7006180227481</Real>
-      <Real Name="Z">-267.49948993835136</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">13.015378149256684</Real>
-      <Real Name="Y">55.286442944873855</Real>
-      <Real Name="Z">-78.450220895270832</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-316.9363962625622</Real>
-      <Real Name="Y">-1111.8370775880337</Real>
-      <Real Name="Z">-184.8205161283642</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-26.483218193230631</Real>
-      <Real Name="Y">1030.7411570160241</Real>
-      <Real Name="Z">206.78623833740579</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">136.99397731571298</Real>
-      <Real Name="Y">236.20565102071856</Real>
-      <Real Name="Z">9.892061882549406</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.51315632164122</Real>
-      <Real Name="Y">800.28305583743258</Real>
-      <Real Name="Z">-220.83179571479448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-13.409831298728797</Real>
-      <Real Name="Y">-305.09629317166639</Real>
-      <Real Name="Z">6.2744221228296908</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-264.835754981126</Real>
-      <Real Name="Y">-475.55751190418749</Real>
-      <Real Name="Z">423.52025382788185</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">63.669977715217549</Real>
-      <Real Name="Y">77.255806618596864</Real>
-      <Real Name="Z">109.66238867774069</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-13.108301192713029</Real>
-      <Real Name="Y">-40.509172289404546</Real>
-      <Real Name="Z">-40.266115569838298</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.012897537731924</Real>
-      <Real Name="Y">-35.789953333083105</Real>
-      <Real Name="Z">-62.705808662766202</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-591.49359906302186</Real>
-      <Real Name="Y">1035.8396745418888</Real>
-      <Real Name="Z">592.53778840121527</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">350.88598848193209</Real>
-      <Real Name="Y">-820.46749073356523</Real>
-      <Real Name="Z">-301.47277535459074</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.679941645013962</Real>
-      <Real Name="Y">-190.23756297913002</Real>
-      <Real Name="Z">-38.18495903863198</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1293.3416386249837</Real>
-      <Real Name="Y">-682.5109098535346</Real>
-      <Real Name="Z">-610.92397553282285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">91.010368583949528</Real>
-      <Real Name="Y">269.8783153985421</Real>
-      <Real Name="Z">750.70965102371497</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-738.47561658264385</Real>
-      <Real Name="Y">244.75311421396219</Real>
-      <Real Name="Z">-80.03878605028757</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.137610288870771</Real>
-      <Real Name="Y">-227.11124001665746</Real>
-      <Real Name="Z">-438.30487633524882</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.93305978182644578</Real>
-      <Real Name="Y">69.373768697705245</Real>
-      <Real Name="Z">175.15901069807865</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">76.865988968402618</Real>
-      <Real Name="Y">52.643888268262728</Real>
-      <Real Name="Z">218.96790506747033</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">647.5820876416069</Real>
-      <Real Name="Y">-542.6678191271069</Real>
-      <Real Name="Z">-246.11583139543339</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-513.3364737094106</Real>
-      <Real Name="Y">548.73152319539008</Real>
-      <Real Name="Z">270.22993780701506</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-160.59594363575371</Real>
-      <Real Name="Y">19.230395423233631</Real>
-      <Real Name="Z">73.991171199862947</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">545.45291833100327</Real>
-      <Real Name="Y">-1100.7642380163113</Real>
-      <Real Name="Z">-1010.1761687784979</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-716.01713021239607</Real>
-      <Real Name="Y">299.75146837411546</Real>
-      <Real Name="Z">775.26673873170216</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-349.29757719233987</Real>
-      <Real Name="Y">664.11882542434614</Real>
-      <Real Name="Z">157.35067633506821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">11.189486716014116</Real>
-      <Real Name="Y">10.700714854694347</Real>
-      <Real Name="Z">25.948213275718487</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.5030939349850883</Real>
-      <Real Name="Y">-5.890133911178232</Real>
-      <Real Name="Z">-10.075794226481491</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-8.6720071969075647</Real>
-      <Real Name="Y">-6.4884953709419868</Real>
-      <Real Name="Z">-17.551032302900865</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-427.34732974259293</Real>
-      <Real Name="Y">945.62422956676289</Real>
-      <Real Name="Z">-243.11294174324556</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">527.77844013169192</Real>
-      <Real Name="Y">-343.89957542883809</Real>
-      <Real Name="Z">-121.68383574359319</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-242.3323330695456</Real>
-      <Real Name="Y">-489.84962102612627</Real>
-      <Real Name="Z">575.57893197393673</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.974366514392152</Real>
-      <Real Name="Y">127.50609506487979</Real>
-      <Real Name="Z">-371.31540613302684</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-65.704450374835702</Real>
-      <Real Name="Y">-90.111944058379891</Real>
-      <Real Name="Z">91.964425100193964</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">68.290450632337624</Real>
-      <Real Name="Y">-20.81648876649869</Real>
-      <Real Name="Z">151.07577339124282</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-446.81154632831942</Real>
-      <Real Name="Y">-985.97749426816904</Real>
-      <Real Name="Z">-330.87578866282968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-36.685831489296397</Real>
-      <Real Name="Y">454.75164755222039</Real>
-      <Real Name="Z">-214.35226174657154</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">187.19317485067984</Real>
-      <Real Name="Y">646.21620659531368</Real>
-      <Real Name="Z">481.23543625059261</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-478.47142589645489</Real>
-      <Real Name="Y">258.67600313589764</Real>
-      <Real Name="Z">-232.62138820277872</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">536.91673733136668</Real>
-      <Real Name="Y">-264.34920417941703</Real>
-      <Real Name="Z">215.88604810441117</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">122.42904354969878</Real>
-      <Real Name="Y">-19.040065857125711</Real>
-      <Real Name="Z">78.269783476907634</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-57.474171924871627</Real>
-      <Real Name="Y">35.612989645909863</Real>
-      <Real Name="Z">-110.07688152541418</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-110.96471615485953</Real>
-      <Real Name="Y">-130.22067791532029</Real>
-      <Real Name="Z">-142.08653944891736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-55.074732302726005</Real>
-      <Real Name="Y">-207.23162513401388</Real>
-      <Real Name="Z">22.736303658806293</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-416.12979118799961</Real>
-      <Real Name="Y">-532.23016808687191</Real>
-      <Real Name="Z">-318.14815003404601</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">143.2150814863362</Real>
-      <Real Name="Y">196.17331852851072</Real>
-      <Real Name="Z">181.41353286726695</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">412.72649434347926</Real>
-      <Real Name="Y">412.36456996117465</Real>
-      <Real Name="Z">244.77867276205637</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">639.85266994109247</Real>
-      <Real Name="Y">-101.01127123917598</Real>
-      <Real Name="Z">-818.68049112602682</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-394.95982756618065</Real>
-      <Real Name="Y">20.601175509182028</Real>
-      <Real Name="Z">681.49365196990914</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-168.45611037365828</Real>
-      <Real Name="Y">51.152760889132082</Real>
-      <Real Name="Z">166.57172747561964</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-351.83318164110523</Real>
-      <Real Name="Y">-417.46240914232328</Real>
-      <Real Name="Z">-645.38544651672953</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">100.94163194264792</Real>
-      <Real Name="Y">70.621933752140066</Real>
-      <Real Name="Z">100.15300556226805</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">31.323084771760463</Real>
-      <Real Name="Y">241.63725190461298</Real>
-      <Real Name="Z">567.98954213766353</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-703.03260782612699</Real>
-      <Real Name="Y">-185.602993543022</Real>
-      <Real Name="Z">-0.59853561341891748</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">621.69474220540815</Real>
-      <Real Name="Y">117.82533899266475</Real>
-      <Real Name="Z">-92.769963217147776</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">181.64754848905289</Real>
-      <Real Name="Y">108.73553447561764</Real>
-      <Real Name="Z">41.331261098124159</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1197.4804812717562</Real>
-      <Real Name="Y">1761.1787724638814</Real>
-      <Real Name="Z">411.53285599378648</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-282.10275508644304</Real>
-      <Real Name="Y">-203.19624419585853</Real>
-      <Real Name="Z">98.987671253915437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-921.57739533721065</Real>
-      <Real Name="Y">-1072.0346967875478</Real>
-      <Real Name="Z">-362.49159803273699</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">552.34537369327779</Real>
-      <Real Name="Y">-134.66622484998922</Real>
-      <Real Name="Z">476.5462874068599</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-825.87053763926485</Real>
-      <Real Name="Y">110.63862670886428</Real>
-      <Real Name="Z">-469.08984323495338</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-142.90542190901516</Real>
-      <Real Name="Y">-113.63958207580447</Real>
-      <Real Name="Z">-169.03001690049996</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-444.56165600850778</Real>
-      <Real Name="Y">71.188279850209895</Real>
-      <Real Name="Z">-134.6366948363476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">132.61094037807808</Real>
-      <Real Name="Y">-95.731937378984298</Real>
-      <Real Name="Z">65.38939059767371</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">136.64887304762496</Real>
-      <Real Name="Y">33.82687463806031</Real>
-      <Real Name="Z">24.674013484615262</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1131.6822805242764</Real>
-      <Real Name="Y">-448.3669674091675</Real>
-      <Real Name="Z">-133.47298486997047</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-436.98660504161296</Real>
-      <Real Name="Y">45.269070447271169</Real>
-      <Real Name="Z">123.8992503202055</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-420.22942702975985</Real>
-      <Real Name="Y">235.41910841906116</Real>
-      <Real Name="Z">-112.0095531586733</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-491.03661237649249</Real>
-      <Real Name="Y">-836.61706746357163</Real>
-      <Real Name="Z">252.85816072162146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">219.867563700727</Real>
-      <Real Name="Y">105.62448381059905</Real>
-      <Real Name="Z">-169.00678297257159</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">193.60069899401893</Real>
-      <Real Name="Y">849.00920904618215</Real>
-      <Real Name="Z">18.622482993276588</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">271.98674165859194</Real>
-      <Real Name="Y">551.70697526216361</Real>
-      <Real Name="Z">856.87522463461357</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-32.117681516582444</Real>
-      <Real Name="Y">-572.6158772099551</Real>
-      <Real Name="Z">-570.33868276245721</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-74.744567482858031</Real>
-      <Real Name="Y">-426.31190903888694</Real>
-      <Real Name="Z">-205.33857100813142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">405.67754670713117</Real>
-      <Real Name="Y">-507.07876224786577</Real>
-      <Real Name="Z">-901.51804348362828</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-167.96692731227478</Real>
-      <Real Name="Y">774.34191094699963</Real>
-      <Real Name="Z">128.06895723828433</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-187.44572561475289</Real>
-      <Real Name="Y">-223.55627651083958</Real>
-      <Real Name="Z">658.88942684897393</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">507.53772470647743</Real>
-      <Real Name="Y">-1273.4527922422096</Real>
-      <Real Name="Z">11.851926645724937</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-110.50153487965139</Real>
-      <Real Name="Y">1023.7788867750337</Real>
-      <Real Name="Z">-120.81773417729761</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-354.87255532282586</Real>
-      <Real Name="Y">61.164956544004383</Real>
-      <Real Name="Z">164.07579829833514</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.90132861893801</Real>
-      <Real Name="Y">589.91654030747907</Real>
-      <Real Name="Z">-489.08782624465886</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">178.48164837450554</Real>
-      <Real Name="Y">-197.10042969488302</Real>
-      <Real Name="Z">103.83666370189484</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">371.95717267686092</Real>
-      <Real Name="Y">-565.68147119096807</Real>
-      <Real Name="Z">448.57624367535755</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1605.8317243035747</Real>
-      <Real Name="Y">97.40376166094471</Real>
-      <Real Name="Z">191.41688404228884</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-180.48261929680177</Real>
-      <Real Name="Y">55.227492069559133</Real>
-      <Real Name="Z">-25.659610581756056</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1187.4098356639367</Real>
-      <Real Name="Y">-200.24574806739946</Real>
-      <Real Name="Z">-178.4185187645474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-776.04619967225153</Real>
-      <Real Name="Y">-854.14329384957273</Real>
-      <Real Name="Z">703.08772375584374</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">699.83503680531737</Real>
-      <Real Name="Y">682.03015619827897</Real>
-      <Real Name="Z">-359.7940557479738</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">193.69522003492455</Real>
-      <Real Name="Y">178.0224559202137</Real>
-      <Real Name="Z">-153.16116270175257</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-281.73657564374889</Real>
-      <Real Name="Y">-160.1098405043962</Real>
-      <Real Name="Z">302.07944030938995</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">314.11087222769828</Real>
-      <Real Name="Y">190.55456361496346</Real>
-      <Real Name="Z">-372.87905333924368</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.446762007682459</Real>
-      <Real Name="Y">1.5527080288712511</Real>
-      <Real Name="Z">-74.016383383087032</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">834.30297309556624</Real>
-      <Real Name="Y">-558.97919233869879</Real>
-      <Real Name="Z">-470.72040476920819</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-167.27927245193501</Real>
-      <Real Name="Y">176.25996038586027</Real>
-      <Real Name="Z">25.906500388042986</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-583.33522870085096</Real>
-      <Real Name="Y">264.214828591936</Real>
-      <Real Name="Z">200.07769517661993</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.950264603451238</Real>
-      <Real Name="Y">194.66424384509469</Real>
-      <Real Name="Z">70.575248537817984</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.494957010406317</Real>
-      <Real Name="Y">-187.38988065228995</Real>
-      <Real Name="Z">-15.261642766005561</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">74.39095410717708</Real>
-      <Real Name="Y">-141.10678622244825</Real>
-      <Real Name="Z">-61.803642656093189</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-130.77929498714747</Real>
-      <Real Name="Y">1252.1139327884555</Real>
-      <Real Name="Z">178.95834059737058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">38.140245773770062</Real>
-      <Real Name="Y">-154.74381067933058</Real>
-      <Real Name="Z">-75.452988650123658</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">143.53967873337564</Real>
-      <Real Name="Y">-953.24907511564959</Real>
-      <Real Name="Z">-101.34154661247503</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">140.4578809337321</Real>
-      <Real Name="Y">-973.90214781208147</Real>
-      <Real Name="Z">-614.51814783719408</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-96.16279190725804</Real>
-      <Real Name="Y">905.50042697831668</Real>
-      <Real Name="Z">342.92672331250844</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-54.405694183941293</Real>
-      <Real Name="Y">125.96469527599442</Real>
-      <Real Name="Z">142.62462150365187</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-314.02406735423295</Real>
-      <Real Name="Y">1215.8573545506904</Real>
-      <Real Name="Z">812.28121755056145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">74.090579319896023</Real>
-      <Real Name="Y">-150.56986488606358</Real>
-      <Real Name="Z">-116.35944648345418</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">86.742963398878061</Real>
-      <Real Name="Y">-1019.5218529605444</Real>
-      <Real Name="Z">-591.3487884053028</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-172.01455267172878</Real>
-      <Real Name="Y">269.07649174669456</Real>
-      <Real Name="Z">-639.17091448645647</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">255.67067034368353</Real>
-      <Real Name="Y">-290.12782764883707</Real>
-      <Real Name="Z">532.18580175690408</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">69.22641394752165</Real>
-      <Real Name="Y">-39.950670244759756</Real>
-      <Real Name="Z">92.765442681400572</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1673.7927896692222</Real>
-      <Real Name="Y">303.78465487901167</Real>
-      <Real Name="Z">61.984690575592474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1152.1813887163071</Real>
-      <Real Name="Y">-366.18637870336897</Real>
-      <Real Name="Z">110.65381068396444</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">209.99455096612022</Real>
-      <Real Name="Y">-45.745498707542524</Real>
-      <Real Name="Z">-24.782742610748933</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1272.0781554064033</Real>
-      <Real Name="Y">-110.37135699682059</Real>
-      <Real Name="Z">-337.17222473072201</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">388.65217333572281</Real>
-      <Real Name="Y">-45.727534523200475</Real>
-      <Real Name="Z">218.7604114779586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1050.3336098599909</Real>
-      <Real Name="Y">84.194711180556538</Real>
-      <Real Name="Z">34.147408226943384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-380.86778006205708</Real>
-      <Real Name="Y">1224.2991521825045</Real>
-      <Real Name="Z">-575.40187398249986</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">134.61354201623757</Real>
-      <Real Name="Y">-594.21486444748939</Real>
-      <Real Name="Z">-286.3118066730205</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">451.06725133012515</Real>
-      <Real Name="Y">-744.69461997358314</Real>
-      <Real Name="Z">605.70723571122267</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">565.38214341123705</Real>
-      <Real Name="Y">1419.0257991196877</Real>
-      <Real Name="Z">681.44399285758311</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-14.445745051650974</Real>
-      <Real Name="Y">-156.01324009696719</Real>
-      <Real Name="Z">-116.634004729851</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-323.72947069390909</Real>
-      <Real Name="Y">-972.23731480397907</Real>
-      <Real Name="Z">-330.28992189122346</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">557.59113984151804</Real>
-      <Real Name="Y">-956.96616397144896</Real>
-      <Real Name="Z">701.86802834897549</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">33.826835958369983</Real>
-      <Real Name="Y">671.26600223988464</Real>
-      <Real Name="Z">-117.36753370529625</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-619.59573189563116</Real>
-      <Real Name="Y">509.57917320092116</Real>
-      <Real Name="Z">-854.63428806543698</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">179.54534306558807</Real>
-      <Real Name="Y">-607.50008210681858</Real>
-      <Real Name="Z">-56.680398082541814</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-204.33101923943909</Real>
-      <Real Name="Y">564.74974602323573</Real>
-      <Real Name="Z">-102.49790255805648</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-354.55571051756419</Real>
-      <Real Name="Y">276.12499450262214</Real>
-      <Real Name="Z">216.72824712153778</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">543.44571560746272</Real>
-      <Real Name="Y">410.01304514012247</Real>
-      <Real Name="Z">680.16001350062868</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-326.91030353269366</Real>
-      <Real Name="Y">-583.36174948576263</Real>
-      <Real Name="Z">-576.03655185693481</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-134.9241843260387</Real>
-      <Real Name="Y">-54.539363373134591</Real>
-      <Real Name="Z">-165.16868615908751</Real>
-    </Vector>
-  </Sequence>
-  <Sequence Name="Time 0.100000 Step 100 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">-80.470375508402569</Real>
-      <Real Name="Y">350.75499280724966</Real>
-      <Real Name="Z">-256.9574860396956</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">80.615204766185599</Real>
-      <Real Name="Y">79.850719932664049</Real>
-      <Real Name="Z">-429.01502461358302</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-318.33290835696528</Real>
-      <Real Name="Y">-242.66792718273337</Real>
-      <Real Name="Z">424.28199385495111</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">91.389396581251845</Real>
-      <Real Name="Y">184.24457638440325</Real>
-      <Real Name="Z">435.33119894370327</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">995.84329585834223</Real>
-      <Real Name="Y">481.80307289536813</Real>
-      <Real Name="Z">-1605.2372628615319</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-124.45876484535816</Real>
-      <Real Name="Y">-143.00344326620601</Real>
-      <Real Name="Z">663.1472491894142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-910.63048602609683</Real>
-      <Real Name="Y">-2089.3544882773494</Real>
-      <Real Name="Z">272.75970790246066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-73.115642699948566</Real>
-      <Real Name="Y">800.98355269321826</Real>
-      <Real Name="Z">146.38716209031418</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">468.73336654611683</Real>
-      <Real Name="Y">528.28127655732919</Real>
-      <Real Name="Z">188.46963576543939</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">56.853877200843556</Real>
-      <Real Name="Y">91.767030375547421</Real>
-      <Real Name="Z">-73.245854234100747</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-36.949098480181007</Real>
-      <Real Name="Y">-62.854317944078332</Real>
-      <Real Name="Z">53.107061862847047</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-29.51221180981063</Real>
-      <Real Name="Y">-39.74461767409715</Real>
-      <Real Name="Z">22.842985520097074</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.406390675182905</Real>
-      <Real Name="Y">-43.919910077225012</Real>
-      <Real Name="Z">-43.059097144534633</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-13.022368220103083</Real>
-      <Real Name="Y">21.72868019647435</Real>
-      <Real Name="Z">21.067162220603677</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.861143337000982</Real>
-      <Real Name="Y">16.289635242648529</Real>
-      <Real Name="Z">19.23940986121309</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">284.37452198703164</Real>
-      <Real Name="Y">-206.54227124075854</Real>
-      <Real Name="Z">-387.45943197330359</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-430.72074017231614</Real>
-      <Real Name="Y">208.11857749446932</Real>
-      <Real Name="Z">280.94112908969623</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-72.58486671315957</Real>
-      <Real Name="Y">26.803364805793329</Real>
-      <Real Name="Z">127.97167307433519</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">217.50629860699033</Real>
-      <Real Name="Y">1323.3296729186259</Real>
-      <Real Name="Z">-69.175786428811861</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-47.944219582943163</Real>
-      <Real Name="Y">-272.2085432441433</Real>
-      <Real Name="Z">58.89692112387241</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-279.71239297522726</Real>
-      <Real Name="Y">-960.71499344671361</Real>
-      <Real Name="Z">-173.00739706596559</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">691.78324897017887</Real>
-      <Real Name="Y">-719.23362791137549</Real>
-      <Real Name="Z">-1131.4428639906926</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-119.32786205982254</Real>
-      <Real Name="Y">149.80746159076256</Real>
-      <Real Name="Z">138.36340594414679</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-590.61374256254771</Real>
-      <Real Name="Y">403.4039102007099</Real>
-      <Real Name="Z">761.4888783196094</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">159.82642064275439</Real>
-      <Real Name="Y">537.34184215662606</Real>
-      <Real Name="Z">294.8702839645066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1.8187804874068418</Real>
-      <Real Name="Y">-180.03982466156822</Real>
-      <Real Name="Z">-165.43363750231765</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-70.722385711306075</Real>
-      <Real Name="Y">-176.71675051746115</Real>
-      <Real Name="Z">-91.339657977643114</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-634.15511312513433</Real>
-      <Real Name="Y">418.02501779202595</Real>
-      <Real Name="Z">929.42232586489899</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">409.87032459193495</Real>
-      <Real Name="Y">-134.4878014433103</Real>
-      <Real Name="Z">-1011.1664359638603</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">127.86142734363521</Real>
-      <Real Name="Y">-138.50679608615576</Real>
-      <Real Name="Z">-88.109814869908604</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1414.010648122154</Real>
-      <Real Name="Y">-122.0641935677959</Real>
-      <Real Name="Z">469.37037726472556</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-445.17948385564847</Real>
-      <Real Name="Y">-629.83247831870256</Real>
-      <Real Name="Z">129.40214266103925</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1304.7877450708149</Real>
-      <Real Name="Y">447.05908036971107</Real>
-      <Real Name="Z">-211.45264013816688</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">405.91798160130395</Real>
-      <Real Name="Y">572.43463161994623</Real>
-      <Real Name="Z">-138.91971943440359</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-145.23467733429612</Real>
-      <Real Name="Y">-367.33675042617932</Real>
-      <Real Name="Z">134.65728199117399</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-188.67952661331245</Real>
-      <Real Name="Y">-102.2894345906753</Real>
-      <Real Name="Z">66.67607700877484</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-205.20131437765127</Real>
-      <Real Name="Y">-24.103884409514578</Real>
-      <Real Name="Z">-885.49406749815159</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-162.51471524416732</Real>
-      <Real Name="Y">154.51904695464395</Real>
-      <Real Name="Z">374.15370064831228</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">432.59248016850353</Real>
-      <Real Name="Y">-284.86905860034904</Real>
-      <Real Name="Z">554.1577070836438</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">392.06717609939767</Real>
-      <Real Name="Y">220.61703863501089</Real>
-      <Real Name="Z">-650.33843934020615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-400.1801541359149</Real>
-      <Real Name="Y">93.605218491932817</Real>
-      <Real Name="Z">775.80605089267544</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-88.335920800575309</Real>
-      <Real Name="Y">-98.829660739046005</Real>
-      <Real Name="Z">118.44104694775272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-533.22486451835186</Real>
-      <Real Name="Y">-304.67221681906352</Real>
-      <Real Name="Z">-171.16693936475977</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">543.98101869887682</Real>
-      <Real Name="Y">-120.92635097869447</Real>
-      <Real Name="Z">145.04280317069779</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">158.57226627591885</Real>
-      <Real Name="Y">134.32523334115871</Real>
-      <Real Name="Z">-32.998844685195273</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">189.22001440376246</Real>
-      <Real Name="Y">-170.92260258309506</Real>
-      <Real Name="Z">342.172136781414</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-264.68815779150765</Real>
-      <Real Name="Y">221.93944245006728</Real>
-      <Real Name="Z">-235.98071088581645</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-65.412902420931786</Real>
-      <Real Name="Y">68.072078800944553</Real>
-      <Real Name="Z">-87.826083487195405</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-93.092420120685205</Real>
-      <Real Name="Y">-1297.6295013688382</Real>
-      <Real Name="Z">-311.89193615443577</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-251.1963113967202</Real>
-      <Real Name="Y">999.37593338340878</Real>
-      <Real Name="Z">251.16187982880442</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">137.2496122533941</Real>
-      <Real Name="Y">256.61500940332633</Real>
-      <Real Name="Z">77.896414092182169</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">147.10226077152717</Real>
-      <Real Name="Y">455.04017376189807</Real>
-      <Real Name="Z">-590.62487522252377</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">115.05580255428606</Real>
-      <Real Name="Y">-250.45871681873393</Real>
-      <Real Name="Z">89.49512117542659</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-298.11032483571466</Real>
-      <Real Name="Y">-245.51015051313607</Real>
-      <Real Name="Z">368.43348305771747</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">61.057755808604767</Real>
-      <Real Name="Y">91.268221083173657</Real>
-      <Real Name="Z">134.55255442321968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-15.536847554435605</Real>
-      <Real Name="Y">-40.388750799070387</Real>
-      <Real Name="Z">-45.140883650764223</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.6788295183347017</Real>
-      <Real Name="Y">-46.284572466158643</Real>
-      <Real Name="Z">-72.650428124390004</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-597.91352128935796</Real>
-      <Real Name="Y">1112.4556805275611</Real>
-      <Real Name="Z">593.41550174263386</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">444.871609454652</Real>
-      <Real Name="Y">-443.73997874408377</Real>
-      <Real Name="Z">-469.25800970037375</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.13257022307665522</Real>
-      <Real Name="Y">-199.35021180138574</Real>
-      <Real Name="Z">-21.117018973553652</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1682.1351572508358</Real>
-      <Real Name="Y">-665.88314197241641</Real>
-      <Real Name="Z">-421.07778403784204</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-95.34063269504415</Real>
-      <Real Name="Y">396.87089922318262</Real>
-      <Real Name="Z">626.1343178555851</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1030.9644765523522</Real>
-      <Real Name="Y">212.16276955863495</Real>
-      <Real Name="Z">-54.515094359155512</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">154.52898852621161</Real>
-      <Real Name="Y">-197.70360275330569</Real>
-      <Real Name="Z">-508.5862923066345</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-41.254588364137462</Real>
-      <Real Name="Y">102.3688593731716</Real>
-      <Real Name="Z">214.17885178075139</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">86.323995101269517</Real>
-      <Real Name="Y">79.285454366317808</Real>
-      <Real Name="Z">326.50442896874324</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1096.8155865542828</Real>
-      <Real Name="Y">-903.58172303025253</Real>
-      <Real Name="Z">-573.63956993499028</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-680.40941059592637</Real>
-      <Real Name="Y">731.96316675120477</Real>
-      <Real Name="Z">179.79679141648126</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-214.97565510644586</Real>
-      <Real Name="Y">41.942638164221876</Real>
-      <Real Name="Z">133.70778549092017</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1528.2382395764212</Real>
-      <Real Name="Y">-398.86573518382028</Real>
-      <Real Name="Z">-1756.2318334449187</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-940.71009658176365</Real>
-      <Real Name="Y">328.44256142239499</Real>
-      <Real Name="Z">948.39362883227182</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-394.00726429746948</Real>
-      <Real Name="Y">225.93670085097347</Real>
-      <Real Name="Z">163.30037240194861</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.58010500634429718</Real>
-      <Real Name="Y">17.013798792665085</Real>
-      <Real Name="Z">22.849762241174474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.53662189605013566</Real>
-      <Real Name="Y">-9.0077658723944314</Real>
-      <Real Name="Z">-8.4459946389454466</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.9073981593518567</Real>
-      <Real Name="Y">-6.5636201490962733</Real>
-      <Real Name="Z">-13.663898432045574</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">533.23871425842935</Real>
-      <Real Name="Y">1007.0394154924159</Real>
-      <Real Name="Z">-480.18500341061758</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">214.85279863649492</Real>
-      <Real Name="Y">-517.59329996214387</Real>
-      <Real Name="Z">-26.284205349687507</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-566.10264063152442</Real>
-      <Real Name="Y">-518.93790719729986</Real>
-      <Real Name="Z">583.49486218652976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.5900056554803825</Real>
-      <Real Name="Y">101.19334933592913</Real>
-      <Real Name="Z">-385.88886417469536</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-42.623586101870032</Real>
-      <Real Name="Y">-95.381976889716469</Real>
-      <Real Name="Z">115.31521538474293</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">113.7193296062938</Real>
-      <Real Name="Y">12.115894024602676</Real>
-      <Real Name="Z">200.39525990251997</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-469.28552061898358</Real>
-      <Real Name="Y">-591.5663580025348</Real>
-      <Real Name="Z">-201.06668344044266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">130.07713160919141</Real>
-      <Real Name="Y">470.9262512974916</Real>
-      <Real Name="Z">-205.16050461135794</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">306.152029602315</Real>
-      <Real Name="Y">470.18757688629569</Real>
-      <Real Name="Z">585.73845993749308</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-539.82327761137981</Real>
-      <Real Name="Y">291.95850725044608</Real>
-      <Real Name="Z">-204.87246425179256</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">564.92226996899694</Real>
-      <Real Name="Y">-323.45535746138034</Real>
-      <Real Name="Z">213.6628979429135</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">114.96542942624916</Real>
-      <Real Name="Y">-40.357390920796199</Real>
-      <Real Name="Z">86.404650698957312</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">175.69145827035427</Real>
-      <Real Name="Y">165.02257919357237</Real>
-      <Real Name="Z">118.67955970079535</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-126.23311484605364</Real>
-      <Real Name="Y">-68.622104847425305</Real>
-      <Real Name="Z">-124.5101623410911</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-51.952144857058542</Real>
-      <Real Name="Y">-162.88030148504902</Real>
-      <Real Name="Z">-20.09353308527546</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.30271893456592</Real>
-      <Real Name="Y">-370.37257072821069</Real>
-      <Real Name="Z">-371.84712902114995</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">76.343516001430274</Real>
-      <Real Name="Y">171.76878791921439</Real>
-      <Real Name="Z">179.83467938376367</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">467.86087721395381</Real>
-      <Real Name="Y">402.95359683629869</Real>
-      <Real Name="Z">206.29434437732829</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">550.00371072675171</Real>
-      <Real Name="Y">-198.90170415950496</Real>
-      <Real Name="Z">-1030.4683362838441</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-496.320087292327</Real>
-      <Real Name="Y">15.573301495136221</Real>
-      <Real Name="Z">678.88011579200133</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-171.25089027177316</Real>
-      <Real Name="Y">159.05066843685651</Real>
-      <Real Name="Z">203.06403755555374</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-472.54497944084181</Real>
-      <Real Name="Y">-317.56356035502665</Real>
-      <Real Name="Z">-574.3359092738059</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">113.05925571186343</Real>
-      <Real Name="Y">46.616327103672745</Real>
-      <Real Name="Z">116.52175041886659</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">207.61688567754553</Real>
-      <Real Name="Y">180.03176836992236</Real>
-      <Real Name="Z">617.50887474607077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-727.91188605012371</Real>
-      <Real Name="Y">-53.232749912941173</Real>
-      <Real Name="Z">-103.59249611118864</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">327.93905433357008</Real>
-      <Real Name="Y">205.18150005924883</Real>
-      <Real Name="Z">171.9638717891437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">202.07683314875794</Real>
-      <Real Name="Y">192.82433748619763</Real>
-      <Real Name="Z">110.14927965284616</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">340.74417163539397</Real>
-      <Real Name="Y">960.7999225377805</Real>
-      <Real Name="Z">375.63818105329278</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-202.12643849786735</Real>
-      <Real Name="Y">-133.9928974745327</Real>
-      <Real Name="Z">150.72280337935254</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-662.18847898477338</Real>
-      <Real Name="Y">-1134.125955512827</Real>
-      <Real Name="Z">-84.852711911976144</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1159.4322770996482</Real>
-      <Real Name="Y">-56.610963457778197</Real>
-      <Real Name="Z">380.82996094267293</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-874.16343127792425</Real>
-      <Real Name="Y">385.7497069869903</Real>
-      <Real Name="Z">-289.99078849033361</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-273.62001723329837</Real>
-      <Real Name="Y">-72.168746790355812</Real>
-      <Real Name="Z">28.307125561827316</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-403.91534326804765</Real>
-      <Real Name="Y">62.873110094603511</Real>
-      <Real Name="Z">-212.15751347965494</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">108.98891621693943</Real>
-      <Real Name="Y">-64.482453690004746</Real>
-      <Real Name="Z">62.233184894454041</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">162.07772034712616</Real>
-      <Real Name="Y">69.345488985092629</Real>
-      <Real Name="Z">59.55714364391828</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">772.76436666144537</Real>
-      <Real Name="Y">-524.79775287055543</Real>
-      <Real Name="Z">187.23846686847705</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-264.98509096920668</Real>
-      <Real Name="Y">37.665715572679794</Real>
-      <Real Name="Z">13.024677647843134</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-348.25337451623045</Real>
-      <Real Name="Y">371.84466962337598</Real>
-      <Real Name="Z">-179.02371952592384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-549.28877180090694</Real>
-      <Real Name="Y">-821.31319241851111</Real>
-      <Real Name="Z">196.80794005573404</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">274.50236712231094</Real>
-      <Real Name="Y">72.581755928740364</Real>
-      <Real Name="Z">-182.68425753488387</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">116.75811248239779</Real>
-      <Real Name="Y">683.07793040935906</Real>
-      <Real Name="Z">-35.421281815473087</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">93.740065802858368</Real>
-      <Real Name="Y">879.03374968897492</Real>
-      <Real Name="Z">738.89723120028407</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-101.47979607943159</Real>
-      <Real Name="Y">-543.89243128183239</Real>
-      <Real Name="Z">-639.10506376935803</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">62.864925023173058</Real>
-      <Real Name="Y">-329.88777255751518</Real>
-      <Real Name="Z">-102.7810023074663</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">360.11943503670011</Real>
-      <Real Name="Y">-1233.1779807140078</Real>
-      <Real Name="Z">-913.06029874709463</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-339.93448112201713</Real>
-      <Real Name="Y">983.55211495574019</Real>
-      <Real Name="Z">-33.293443249194077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">49.867111823209903</Real>
-      <Real Name="Y">107.19249957400177</Real>
-      <Real Name="Z">524.16574288438892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">361.34181285778578</Real>
-      <Real Name="Y">-1205.9768619832532</Real>
-      <Real Name="Z">-153.79773162773461</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">98.122030385179272</Real>
-      <Real Name="Y">963.622355248541</Real>
-      <Real Name="Z">-5.0337807202246481</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-393.38743329111622</Real>
-      <Real Name="Y">-133.59762578895231</Real>
-      <Real Name="Z">249.15780407339963</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-329.36400465759164</Real>
-      <Real Name="Y">540.02667124724394</Real>
-      <Real Name="Z">-379.47457291559954</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">144.66217069581518</Real>
-      <Real Name="Y">-169.31399747841655</Real>
-      <Real Name="Z">62.995933264664075</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">350.93706805090727</Real>
-      <Real Name="Y">-615.22496673547857</Real>
-      <Real Name="Z">542.39718117818813</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">958.8348297547858</Real>
-      <Real Name="Y">169.44870725020175</Real>
-      <Real Name="Z">90.889116507278345</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-141.91877012282299</Real>
-      <Real Name="Y">-16.40148520052368</Real>
-      <Real Name="Z">-1.0194681269216517</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-863.97996901846489</Real>
-      <Real Name="Y">-311.63068993327192</Real>
-      <Real Name="Z">-95.751021380317141</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-740.39729230238629</Real>
-      <Real Name="Y">-1067.9582462984197</Real>
-      <Real Name="Z">843.67397086576284</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">733.28392148637079</Real>
-      <Real Name="Y">727.17031470846007</Real>
-      <Real Name="Z">-351.2882100377301</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">98.908263162233197</Real>
-      <Real Name="Y">188.73447094919487</Real>
-      <Real Name="Z">-276.3472174081719</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-222.91942135925493</Real>
-      <Real Name="Y">-163.15361823305022</Real>
-      <Real Name="Z">149.44052924138788</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">146.58440040238409</Real>
-      <Real Name="Y">263.44178011419206</Real>
-      <Real Name="Z">-242.39008504879013</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">35.79539196350585</Real>
-      <Real Name="Y">45.676648878868995</Real>
-      <Real Name="Z">-46.76263536001504</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2247.7903082525827</Real>
-      <Real Name="Y">-620.33115722059324</Real>
-      <Real Name="Z">-626.15367486079197</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-617.35656414400057</Real>
-      <Real Name="Y">316.10177748329323</Real>
-      <Real Name="Z">-52.365142069876576</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1121.1386205133208</Real>
-      <Real Name="Y">257.25995178265737</Real>
-      <Real Name="Z">397.39531621657829</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">72.85078125153656</Real>
-      <Real Name="Y">169.11484988364555</Real>
-      <Real Name="Z">55.985740726388798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.552564779788725</Real>
-      <Real Name="Y">-153.75708001004099</Real>
-      <Real Name="Z">-27.936313505590991</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.540564040855628</Real>
-      <Real Name="Y">-172.36168871122584</Real>
-      <Real Name="Z">-96.438546351881357</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-65.246780548120071</Real>
-      <Real Name="Y">1234.2535063887406</Real>
-      <Real Name="Z">198.04343090486495</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">19.895777724114737</Real>
-      <Real Name="Y">-157.68944150107194</Real>
-      <Real Name="Z">-90.680288632861391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-58.796634273445036</Real>
-      <Real Name="Y">-927.13378102733293</Real>
-      <Real Name="Z">-46.188775910015934</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.93640039449204</Real>
-      <Real Name="Y">-1052.9284615169117</Real>
-      <Real Name="Z">-292.04874454470206</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-124.10251294371136</Real>
-      <Real Name="Y">902.07435218013779</Real>
-      <Real Name="Z">524.06345064898369</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-70.710089949217377</Real>
-      <Real Name="Y">217.59016635516207</Real>
-      <Real Name="Z">82.680400505852418</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">91.798559446723885</Real>
-      <Real Name="Y">975.33725458002061</Real>
-      <Real Name="Z">226.67370601455917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.7548410158735095</Real>
-      <Real Name="Y">73.078056367197433</Real>
-      <Real Name="Z">91.714689506775912</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-303.22562825492088</Real>
-      <Real Name="Y">-735.25728584295337</Real>
-      <Real Name="Z">-392.41633573838567</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-77.691049214432894</Real>
-      <Real Name="Y">577.57615117413366</Real>
-      <Real Name="Z">-947.95927674705808</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-31.06808001828685</Real>
-      <Real Name="Y">-585.67695233801999</Real>
-      <Real Name="Z">674.35188272220216</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-30.388297464535597</Real>
-      <Real Name="Y">-33.688072569121701</Real>
-      <Real Name="Z">102.19386813705826</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1710.608915206268</Real>
-      <Real Name="Y">445.58984398929567</Real>
-      <Real Name="Z">-309.47986695016459</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1222.0269262775732</Real>
-      <Real Name="Y">-338.61498536017916</Real>
-      <Real Name="Z">161.77822708133056</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">248.94191337800689</Real>
-      <Real Name="Y">-69.122394288675423</Real>
-      <Real Name="Z">40.158422008350954</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1396.1548887018905</Real>
-      <Real Name="Y">-219.7841661067186</Real>
-      <Real Name="Z">-353.11999671586051</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.08508683863562</Real>
-      <Real Name="Y">24.70025154764026</Real>
-      <Real Name="Z">87.082581647696202</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1173.2269677971703</Real>
-      <Real Name="Y">272.48308566068607</Real>
-      <Real Name="Z">51.723242690437495</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.4178515056752019</Real>
-      <Real Name="Y">679.38690421674778</Real>
-      <Real Name="Z">-317.1291228661932</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.506338640600653</Real>
-      <Real Name="Y">-441.44288170479507</Real>
-      <Real Name="Z">-123.07978759742602</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">214.75480347773242</Real>
-      <Real Name="Y">-559.09242782614058</Real>
-      <Real Name="Z">557.49546136203946</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">399.84997713148175</Real>
-      <Real Name="Y">967.80180779656757</Real>
-      <Real Name="Z">391.8221794740461</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.2083924670883448</Real>
-      <Real Name="Y">-172.12220962096438</Real>
-      <Real Name="Z">-72.032481249598874</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-391.6116567420932</Real>
-      <Real Name="Y">-733.88694130558724</Real>
-      <Real Name="Z">-305.59803260264488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">788.88040134345886</Real>
-      <Real Name="Y">-854.10894681477816</Real>
-      <Real Name="Z">1371.4034117595063</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">33.646189526332087</Real>
-      <Real Name="Y">558.33570350317723</Real>
-      <Real Name="Z">-292.16666751875476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-588.00643267754833</Real>
-      <Real Name="Y">450.39769815834609</Real>
-      <Real Name="Z">-995.66142533643438</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">268.85427302238236</Real>
-      <Real Name="Y">-751.06051775782566</Real>
-      <Real Name="Z">41.871227908847061</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-160.20060292251719</Real>
-      <Real Name="Y">624.46879688282138</Real>
-      <Real Name="Z">71.392363524358601</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-320.62064214309487</Real>
-      <Real Name="Y">262.19127815756889</Real>
-      <Real Name="Z">66.478562474853987</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">377.59767922175115</Real>
-      <Real Name="Y">567.94026278069782</Real>
-      <Real Name="Z">651.91997202184416</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-409.91145740910378</Real>
-      <Real Name="Y">-675.95385792490492</Real>
-      <Real Name="Z">-501.94217462418743</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-118.68909340409331</Real>
-      <Real Name="Y">-117.02319901261541</Real>
-      <Real Name="Z">-184.70561693311549</Real>
-    </Vector>
-  </Sequence>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s.xml

index 4f5e84b14fda6e4d471c32cd9becf1c810e52408..e96b36415b2098645a19acbbf9ad898577a802bd 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s.xml
@@ -104,109 +104,6 @@
      <Real Name="Time 0.099000 Step 99 in frame 99">12.951029</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">13.553705</Real>
    </Energy>
      <Real Name="Time 0.099000 Step 99 in frame 99">12.951029</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">13.553705</Real>
    </Energy>
-  <Energy Name="dVcoul/dl">
-    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-77.716484</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-77.504288</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-77.242493</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-76.94445</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">-76.638924</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-76.364861</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-76.499763</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-77.071358</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-78.057755</Real>
-    <Real Name="Time 0.010000 Step 10 in frame 10">-79.391968</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-80.964645</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-82.647415</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-84.310303</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-85.847183</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">-87.190964</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-88.322319</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-89.269363</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-90.098076</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-90.895874</Real>
-    <Real Name="Time 0.020000 Step 20 in frame 20">-91.756027</Real>
-    <Real Name="Time 0.021000 Step 21 in frame 21">-92.751175</Real>
-    <Real Name="Time 0.022000 Step 22 in frame 22">-93.853714</Real>
-    <Real Name="Time 0.023000 Step 23 in frame 23">-95.070648</Real>
-    <Real Name="Time 0.024000 Step 24 in frame 24">-96.371155</Real>
-    <Real Name="Time 0.025000 Step 25 in frame 25">-97.685806</Real>
-    <Real Name="Time 0.026000 Step 26 in frame 26">-98.920258</Real>
-    <Real Name="Time 0.027000 Step 27 in frame 27">-99.954559</Real>
-    <Real Name="Time 0.028000 Step 28 in frame 28">-100.6597</Real>
-    <Real Name="Time 0.029000 Step 29 in frame 29">-100.91674</Real>
-    <Real Name="Time 0.030000 Step 30 in frame 30">-100.63353</Real>
-    <Real Name="Time 0.031000 Step 31 in frame 31">-99.768555</Real>
-    <Real Name="Time 0.032000 Step 32 in frame 32">-98.333786</Real>
-    <Real Name="Time 0.033000 Step 33 in frame 33">-96.40303</Real>
-    <Real Name="Time 0.034000 Step 34 in frame 34">-94.089249</Real>
-    <Real Name="Time 0.035000 Step 35 in frame 35">-91.536819</Real>
-    <Real Name="Time 0.036000 Step 36 in frame 36">-88.894089</Real>
-    <Real Name="Time 0.037000 Step 37 in frame 37">-86.395172</Real>
-    <Real Name="Time 0.038000 Step 38 in frame 38">-84.163986</Real>
-    <Real Name="Time 0.039000 Step 39 in frame 39">-82.286827</Real>
-    <Real Name="Time 0.040000 Step 40 in frame 40">-80.820839</Real>
-    <Real Name="Time 0.041000 Step 41 in frame 41">-79.782623</Real>
-    <Real Name="Time 0.042000 Step 42 in frame 42">-79.156143</Real>
-    <Real Name="Time 0.043000 Step 43 in frame 43">-78.892593</Real>
-    <Real Name="Time 0.044000 Step 44 in frame 44">-78.917526</Real>
-    <Real Name="Time 0.045000 Step 45 in frame 45">-79.144478</Real>
-    <Real Name="Time 0.046000 Step 46 in frame 46">-79.489128</Real>
-    <Real Name="Time 0.047000 Step 47 in frame 47">-79.623444</Real>
-    <Real Name="Time 0.048000 Step 48 in frame 48">-79.511932</Real>
-    <Real Name="Time 0.049000 Step 49 in frame 49">-79.138031</Real>
-    <Real Name="Time 0.050000 Step 50 in frame 50">-78.500427</Real>
-    <Real Name="Time 0.051000 Step 51 in frame 51">-77.612648</Real>
-    <Real Name="Time 0.052000 Step 52 in frame 52">-76.643219</Real>
-    <Real Name="Time 0.053000 Step 53 in frame 53">-75.611252</Real>
-    <Real Name="Time 0.054000 Step 54 in frame 54">-74.548294</Real>
-    <Real Name="Time 0.055000 Step 55 in frame 55">-73.485031</Real>
-    <Real Name="Time 0.056000 Step 56 in frame 56">-72.4608</Real>
-    <Real Name="Time 0.057000 Step 57 in frame 57">-71.385513</Real>
-    <Real Name="Time 0.058000 Step 58 in frame 58">-70.311348</Real>
-    <Real Name="Time 0.059000 Step 59 in frame 59">-69.294205</Real>
-    <Real Name="Time 0.060000 Step 60 in frame 60">-68.385994</Real>
-    <Real Name="Time 0.061000 Step 61 in frame 61">-67.637817</Real>
-    <Real Name="Time 0.062000 Step 62 in frame 62">-67.089478</Real>
-    <Real Name="Time 0.063000 Step 63 in frame 63">-66.766228</Real>
-    <Real Name="Time 0.064000 Step 64 in frame 64">-66.676643</Real>
-    <Real Name="Time 0.065000 Step 65 in frame 65">-66.805649</Real>
-    <Real Name="Time 0.066000 Step 66 in frame 66">-67.123459</Real>
-    <Real Name="Time 0.067000 Step 67 in frame 67">-67.788086</Real>
-    <Real Name="Time 0.068000 Step 68 in frame 68">-68.743294</Real>
-    <Real Name="Time 0.069000 Step 69 in frame 69">-69.921448</Real>
-    <Real Name="Time 0.070000 Step 70 in frame 70">-71.252861</Real>
-    <Real Name="Time 0.071000 Step 71 in frame 71">-72.66301</Real>
-    <Real Name="Time 0.072000 Step 72 in frame 72">-74.08239</Real>
-    <Real Name="Time 0.073000 Step 73 in frame 73">-75.440865</Real>
-    <Real Name="Time 0.074000 Step 74 in frame 74">-76.68605</Real>
-    <Real Name="Time 0.075000 Step 75 in frame 75">-77.778305</Real>
-    <Real Name="Time 0.076000 Step 76 in frame 76">-78.707558</Real>
-    <Real Name="Time 0.077000 Step 77 in frame 77">-79.432983</Real>
-    <Real Name="Time 0.078000 Step 78 in frame 78">-80.010605</Real>
-    <Real Name="Time 0.079000 Step 79 in frame 79">-80.512024</Real>
-    <Real Name="Time 0.080000 Step 80 in frame 80">-81.016243</Real>
-    <Real Name="Time 0.081000 Step 81 in frame 81">-81.58696</Real>
-    <Real Name="Time 0.082000 Step 82 in frame 82">-82.254745</Real>
-    <Real Name="Time 0.083000 Step 83 in frame 83">-83.005646</Real>
-    <Real Name="Time 0.084000 Step 84 in frame 84">-83.777626</Real>
-    <Real Name="Time 0.085000 Step 85 in frame 85">-84.464981</Real>
-    <Real Name="Time 0.086000 Step 86 in frame 86">-84.94146</Real>
-    <Real Name="Time 0.087000 Step 87 in frame 87">-85.089493</Real>
-    <Real Name="Time 0.088000 Step 88 in frame 88">-84.828125</Real>
-    <Real Name="Time 0.089000 Step 89 in frame 89">-84.139664</Real>
-    <Real Name="Time 0.090000 Step 90 in frame 90">-83.075638</Real>
-    <Real Name="Time 0.091000 Step 91 in frame 91">-81.742142</Real>
-    <Real Name="Time 0.092000 Step 92 in frame 92">-79.956558</Real>
-    <Real Name="Time 0.093000 Step 93 in frame 93">-77.849442</Real>
-    <Real Name="Time 0.094000 Step 94 in frame 94">-75.557968</Real>
-    <Real Name="Time 0.095000 Step 95 in frame 95">-73.206947</Real>
-    <Real Name="Time 0.096000 Step 96 in frame 96">-70.902786</Real>
-    <Real Name="Time 0.097000 Step 97 in frame 97">-68.715012</Real>
-    <Real Name="Time 0.098000 Step 98 in frame 98">-66.684258</Real>
-    <Real Name="Time 0.099000 Step 99 in frame 99">-64.815567</Real>
-    <Real Name="Time 0.100000 Step 100 in frame 100">-63.084229</Real>
-  </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1466.0806</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1464.0562</Real>
    <Energy Name="Potential">
      <Real Name="Time 0.000000 Step 0 in frame 0">-1466.0806</Real>
      <Real Name="Time 0.001000 Step 1 in frame 1">-1464.0562</Real>
@@ -310,892 +207,107 @@
      <Real Name="Time 0.099000 Step 99 in frame 99">-1483.8816</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">-1484.0251</Real>
    </Energy>
      <Real Name="Time 0.099000 Step 99 in frame 99">-1483.8816</Real>
      <Real Name="Time 0.100000 Step 100 in frame 100">-1484.0251</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">634.19263</Real>
-      <Real Name="Y">-774.12708</Real>
-      <Real Name="Z">-84.303528</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-173.31541</Real>
-      <Real Name="Y">-254.0132</Real>
-      <Real Name="Z">32.148266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-460.15817</Real>
-      <Real Name="Y">273.38</Real>
-      <Real Name="Z">-218.39685</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.14142</Real>
-      <Real Name="Y">188.88895</Real>
-      <Real Name="Z">21.105955</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">746.15997</Real>
-      <Real Name="Y">612.76343</Real>
-      <Real Name="Z">-42.128273</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-24.29751</Real>
-      <Real Name="Y">422.16827</Real>
-      <Real Name="Z">-169.40718</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-869.57709</Real>
-      <Real Name="Y">288.51993</Real>
-      <Real Name="Z">1096.8831</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-40.530876</Real>
-      <Real Name="Y">-295.73813</Real>
-      <Real Name="Z">-453.5372</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">275.31131</Real>
-      <Real Name="Y">-437.97052</Real>
-      <Real Name="Z">-229.88564</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">10.925804</Real>
-      <Real Name="Y">-30.976189</Real>
-      <Real Name="Z">20.380272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2.0141983</Real>
-      <Real Name="Y">27.856314</Real>
-      <Real Name="Z">-12.695366</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.2674408</Real>
-      <Real Name="Y">14.475534</Real>
-      <Real Name="Z">-4.0459976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.22610474</Real>
-      <Real Name="Y">23.698967</Real>
-      <Real Name="Z">-7.1104736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.8458405</Real>
-      <Real Name="Y">-9.5181484</Real>
-      <Real Name="Z">4.7690716</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.3456688</Real>
-      <Real Name="Y">-24.903942</Real>
-      <Real Name="Z">4.5986137</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.96179</Real>
-      <Real Name="Y">-59.604706</Real>
-      <Real Name="Z">-670.1571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.81146</Real>
-      <Real Name="Y">36.204243</Real>
-      <Real Name="Z">385.08865</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.8211288</Real>
-      <Real Name="Y">-11.299082</Real>
-      <Real Name="Z">206.28496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">394.23376</Real>
-      <Real Name="Y">432.20389</Real>
-      <Real Name="Z">-97.832077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-49.851814</Real>
-      <Real Name="Y">-238.51105</Real>
-      <Real Name="Z">85.78244</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-370.92975</Real>
-      <Real Name="Y">-600.14075</Real>
-      <Real Name="Z">242.79077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">643.12964</Real>
-      <Real Name="Y">-492.27518</Real>
-      <Real Name="Z">-420.98615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.97176</Real>
-      <Real Name="Y">121.35711</Real>
-      <Real Name="Z">75.023636</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-645.06006</Real>
-      <Real Name="Y">438.33389</Real>
-      <Real Name="Z">218.99048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.01516</Real>
-      <Real Name="Y">295.75125</Real>
-      <Real Name="Z">69.898956</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.252739</Real>
-      <Real Name="Y">-163.91307</Real>
-      <Real Name="Z">-112.35473</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-116.12119</Real>
-      <Real Name="Y">-215.1304</Real>
-      <Real Name="Z">-140.17712</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-591.88873</Real>
-      <Real Name="Y">297.67572</Real>
-      <Real Name="Z">826.32703</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">397.93842</Real>
-      <Real Name="Y">-70.315125</Real>
-      <Real Name="Z">-868.24725</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">176.87331</Real>
-      <Real Name="Y">-199.27788</Real>
-      <Real Name="Z">-58.264145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1115.2428</Real>
-      <Real Name="Y">630.13123</Real>
-      <Real Name="Z">795.2749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.5452</Real>
-      <Real Name="Y">-873.28632</Real>
-      <Real Name="Z">-339.25296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-870.47675</Real>
-      <Real Name="Y">286.55475</Real>
-      <Real Name="Z">-544.52521</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">357.06409</Real>
-      <Real Name="Y">756.95288</Real>
-      <Real Name="Z">146.15199</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.1041641</Real>
-      <Real Name="Y">-651.95844</Real>
-      <Real Name="Z">-54.851482</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-90.345825</Real>
-      <Real Name="Y">-131.84966</Real>
-      <Real Name="Z">-37.247372</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.522749</Real>
-      <Real Name="Y">-138.26599</Real>
-      <Real Name="Z">-868.80994</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.01487</Real>
-      <Real Name="Y">7.3681002</Real>
-      <Real Name="Z">237.56253</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">409.19614</Real>
-      <Real Name="Y">-13.744324</Real>
-      <Real Name="Z">674.30859</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.658508</Real>
-      <Real Name="Y">50.113556</Real>
-      <Real Name="Z">-863.78394</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-246.26122</Real>
-      <Real Name="Y">161.93843</Real>
-      <Real Name="Z">488.15155</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.568638</Real>
-      <Real Name="Y">-198.69077</Real>
-      <Real Name="Z">167.75015</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-614.59326</Real>
-      <Real Name="Y">104.52963</Real>
-      <Real Name="Z">354.02295</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">537.62415</Real>
-      <Real Name="Y">-78.613785</Real>
-      <Real Name="Z">-4.2482901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.13351</Real>
-      <Real Name="Y">-43.662785</Real>
-      <Real Name="Z">-245.23721</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-106.57373</Real>
-      <Real Name="Y">29.633194</Real>
-      <Real Name="Z">363.0675</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">246.89545</Real>
-      <Real Name="Y">-1.2883682</Real>
-      <Real Name="Z">-127.71266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.181488</Real>
-      <Real Name="Y">-111.70288</Real>
-      <Real Name="Z">-115.61073</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-356.38644</Real>
-      <Real Name="Y">-2083.3274</Real>
-      <Real Name="Z">-695.1687</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">338.5383</Real>
-      <Real Name="Y">1335.4231</Real>
-      <Real Name="Z">310.34689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">276.91052</Real>
-      <Real Name="Y">426.71542</Real>
-      <Real Name="Z">68.866402</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">408.59476</Real>
-      <Real Name="Y">979.02332</Real>
-      <Real Name="Z">-851.52771</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-141.87756</Real>
-      <Real Name="Y">-531.63434</Real>
-      <Real Name="Z">230.45869</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-250.61594</Real>
-      <Real Name="Y">-386.77625</Real>
-      <Real Name="Z">568.34503</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">52.995796</Real>
-      <Real Name="Y">98.713974</Real>
-      <Real Name="Z">5.9983025</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.455554</Real>
-      <Real Name="Y">-43.458389</Real>
-      <Real Name="Z">-3.6231194</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.239048</Real>
-      <Real Name="Y">-33.183907</Real>
-      <Real Name="Z">8.2902775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-423.87347</Real>
-      <Real Name="Y">988.98425</Real>
-      <Real Name="Z">389.59784</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">598.97217</Real>
-      <Real Name="Y">-698.11646</Real>
-      <Real Name="Z">-450.10861</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">30.343487</Real>
-      <Real Name="Y">-160.39758</Real>
-      <Real Name="Z">-11.909855</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">156.3821</Real>
-      <Real Name="Y">-502.43747</Real>
-      <Real Name="Z">-1442.8588</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-46.964081</Real>
-      <Real Name="Y">370.46133</Real>
-      <Real Name="Z">1053.1552</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-283.37589</Real>
-      <Real Name="Y">14.029888</Real>
-      <Real Name="Z">269.58932</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.54297</Real>
-      <Real Name="Y">-124.31937</Real>
-      <Real Name="Z">-117.58147</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-85.880951</Real>
-      <Real Name="Y">126.24585</Real>
-      <Real Name="Z">72.835114</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.938107</Real>
-      <Real Name="Y">40.618141</Real>
-      <Real Name="Z">150.70537</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">331.1973</Real>
-      <Real Name="Y">-338.35455</Real>
-      <Real Name="Z">-76.468491</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.71738</Real>
-      <Real Name="Y">414.147</Real>
-      <Real Name="Z">98.183876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-104.25122</Real>
-      <Real Name="Y">67.408051</Real>
-      <Real Name="Z">41.300266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">724.84436</Real>
-      <Real Name="Y">-281.00427</Real>
-      <Real Name="Z">-579.81964</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-344.99899</Real>
-      <Real Name="Y">205.72141</Real>
-      <Real Name="Z">640.11542</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-247.02272</Real>
-      <Real Name="Y">324.86865</Real>
-      <Real Name="Z">148.15186</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.68858337</Real>
-      <Real Name="Y">-10.919106</Real>
-      <Real Name="Z">9.5581284</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.5278492</Real>
-      <Real Name="Y">6.9944229</Real>
-      <Real Name="Z">-2.9469452</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.7969704</Real>
-      <Real Name="Y">4.9394989</Real>
-      <Real Name="Z">-7.0647907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-407.17618</Real>
-      <Real Name="Y">846.323</Real>
-      <Real Name="Z">253.05203</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">291.08258</Real>
-      <Real Name="Y">-480.01971</Real>
-      <Real Name="Z">-680.65302</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.95673</Real>
-      <Real Name="Y">-441.6496</Real>
-      <Real Name="Z">290.35007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.52753</Real>
-      <Real Name="Y">32.474689</Real>
-      <Real Name="Z">-151.86365</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.64911</Real>
-      <Real Name="Y">57.971031</Real>
-      <Real Name="Z">40.010414</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.314713</Real>
-      <Real Name="Y">-39.183544</Real>
-      <Real Name="Z">74.100586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-596.40063</Real>
-      <Real Name="Y">-1292.3043</Real>
-      <Real Name="Z">-304.08658</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">218.88113</Real>
-      <Real Name="Y">615.97302</Real>
-      <Real Name="Z">-293.4668</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">393.9408</Real>
-      <Real Name="Y">650.36456</Real>
-      <Real Name="Z">617.01917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1193.564</Real>
-      <Real Name="Y">443.09839</Real>
-      <Real Name="Z">-792.07574</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">819.54901</Real>
-      <Real Name="Y">-311.52759</Real>
-      <Real Name="Z">572.28064</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">184.21558</Real>
-      <Real Name="Y">-31.884295</Real>
-      <Real Name="Z">38.946358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">216.15796</Real>
-      <Real Name="Y">430.48004</Real>
-      <Real Name="Z">164.33713</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.185656</Real>
-      <Real Name="Y">-134.87021</Real>
-      <Real Name="Z">-70.851448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-108.02281</Real>
-      <Real Name="Y">-124.21425</Real>
-      <Real Name="Z">-17.181404</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1046.2062</Real>
-      <Real Name="Y">-1074.0594</Real>
-      <Real Name="Z">-860.1192</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.09605</Real>
-      <Real Name="Y">209.2016</Real>
-      <Real Name="Z">196.16069</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">575.92712</Real>
-      <Real Name="Y">691.03589</Real>
-      <Real Name="Z">682.34711</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.87489</Real>
-      <Real Name="Y">390.16568</Real>
-      <Real Name="Z">-1022.8798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.947098</Real>
-      <Real Name="Y">-318.27917</Real>
-      <Real Name="Z">753.25494</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.99823</Real>
-      <Real Name="Y">32.162571</Real>
-      <Real Name="Z">254.53839</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.83133</Real>
-      <Real Name="Y">-511.42389</Real>
-      <Real Name="Z">-930.75775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.26678</Real>
-      <Real Name="Y">79.126808</Real>
-      <Real Name="Z">146.98911</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.370152</Real>
-      <Real Name="Y">256.5076</Real>
-      <Real Name="Z">804.46674</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-438.49103</Real>
-      <Real Name="Y">-223.29904</Real>
-      <Real Name="Z">-199.42458</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">224.94597</Real>
-      <Real Name="Y">60.396034</Real>
-      <Real Name="Z">145.17058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">225.78027</Real>
-      <Real Name="Y">77.065506</Real>
-      <Real Name="Z">123.62689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">568.84772</Real>
-      <Real Name="Y">813.66687</Real>
-      <Real Name="Z">-260.69568</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-117.33185</Real>
-      <Real Name="Y">-198.43544</Real>
-      <Real Name="Z">15.699821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.9657</Real>
-      <Real Name="Y">-861.01874</Real>
-      <Real Name="Z">-32.847767</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1744.7604</Real>
-      <Real Name="Y">-146.67123</Real>
-      <Real Name="Z">947.77057</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-863.39832</Real>
-      <Real Name="Y">303.07144</Real>
-      <Real Name="Z">-704.97058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.04962</Real>
-      <Real Name="Y">-176.10233</Real>
-      <Real Name="Z">-382.00201</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-153.51324</Real>
-      <Real Name="Y">55.68367</Real>
-      <Real Name="Z">125.95101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">163.0448</Real>
-      <Real Name="Y">-162.75539</Real>
-      <Real Name="Z">29.864437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">198.87985</Real>
-      <Real Name="Y">-7.5582418</Real>
-      <Real Name="Z">25.019432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">688.69794</Real>
-      <Real Name="Y">-329.95221</Real>
-      <Real Name="Z">47.698727</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-478.77271</Real>
-      <Real Name="Y">292.2962</Real>
-      <Real Name="Z">25.484558</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.64474</Real>
-      <Real Name="Y">328.12592</Real>
-      <Real Name="Z">-128.69678</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.71068</Real>
-      <Real Name="Y">-1811.1239</Real>
-      <Real Name="Z">50.012383</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">128.98105</Real>
-      <Real Name="Y">237.25067</Real>
-      <Real Name="Z">-41.168339</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.38527</Real>
-      <Real Name="Y">1224.5275</Real>
-      <Real Name="Z">-63.084476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">423.39221</Real>
-      <Real Name="Y">1028.9681</Real>
-      <Real Name="Z">825.64862</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.67789</Real>
-      <Real Name="Y">-646.07843</Real>
-      <Real Name="Z">-555.45239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.187481</Real>
-      <Real Name="Y">-238.70564</Real>
-      <Real Name="Z">-216.71841</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-57.875359</Real>
-      <Real Name="Y">-445.92899</Real>
-      <Real Name="Z">-491.63687</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-158.08191</Real>
-      <Real Name="Y">376.0954</Real>
-      <Real Name="Z">254.38142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-93.62793</Real>
-      <Real Name="Y">161.07248</Real>
-      <Real Name="Z">477.57007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">846.57996</Real>
-      <Real Name="Y">-283.94788</Real>
-      <Real Name="Z">-279.26974</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-199.05646</Real>
-      <Real Name="Y">452.46191</Real>
-      <Real Name="Z">22.097107</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-761.22772</Real>
-      <Real Name="Y">-163.09402</Real>
-      <Real Name="Z">188.54041</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1087.0238</Real>
-      <Real Name="Y">1521.0636</Real>
-      <Real Name="Z">-673.28796</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.66171</Real>
-      <Real Name="Y">-219.61053</Real>
-      <Real Name="Z">95.491249</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">620.03485</Real>
-      <Real Name="Y">-974.03101</Real>
-      <Real Name="Z">441.56821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">743.216</Real>
-      <Real Name="Y">29.393684</Real>
-      <Real Name="Z">149.5282</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.6862</Real>
-      <Real Name="Y">92.882713</Real>
-      <Real Name="Z">-36.452312</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-914.89764</Real>
-      <Real Name="Y">119.96918</Real>
-      <Real Name="Z">-128.94379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-822.57422</Real>
-      <Real Name="Y">-1221.0959</Real>
-      <Real Name="Z">114.10788</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">707.68378</Real>
-      <Real Name="Y">941.33618</Real>
-      <Real Name="Z">60.082314</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">68.118355</Real>
-      <Real Name="Y">251.30519</Real>
-      <Real Name="Z">-76.473816</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-136.65074</Real>
-      <Real Name="Y">-697.22198</Real>
-      <Real Name="Z">809.18854</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.8913</Real>
-      <Real Name="Y">509.84113</Real>
-      <Real Name="Z">-581.41943</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.67886</Real>
-      <Real Name="Y">79.15834</Real>
-      <Real Name="Z">-119.01872</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">69.135803</Real>
-      <Real Name="Y">-148.68272</Real>
-      <Real Name="Z">341.82617</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.626726</Real>
-      <Real Name="Y">255.32982</Real>
-      <Real Name="Z">-74.753937</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-285.06201</Real>
-      <Real Name="Y">369.95981</Real>
-      <Real Name="Z">26.579353</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">82.820259</Real>
-      <Real Name="Y">465.88309</Real>
-      <Real Name="Z">-66.908447</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-52.497044</Real>
-      <Real Name="Y">-170.16011</Real>
-      <Real Name="Z">64.423462</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">32.73671</Real>
-      <Real Name="Y">-177.85536</Real>
-      <Real Name="Z">21.967014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.768799</Real>
-      <Real Name="Y">766.97827</Real>
-      <Real Name="Z">75.479279</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.588104</Real>
-      <Real Name="Y">-166.13193</Real>
-      <Real Name="Z">-66.487488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.568993</Real>
-      <Real Name="Y">-724.08154</Real>
-      <Real Name="Z">-12.754246</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.510574</Real>
-      <Real Name="Y">-723.00421</Real>
-      <Real Name="Z">-210.45476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.88062</Real>
-      <Real Name="Y">626.18372</Real>
-      <Real Name="Z">111.89783</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.519997</Real>
-      <Real Name="Y">176.58563</Real>
-      <Real Name="Z">44.482582</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">101.52298</Real>
-      <Real Name="Y">789.96918</Real>
-      <Real Name="Z">537.76044</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.387653</Real>
-      <Real Name="Y">-180.10947</Real>
-      <Real Name="Z">-82.72142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">139.17728</Real>
-      <Real Name="Y">-585.65979</Real>
-      <Real Name="Z">-443.16635</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-295.18738</Real>
-      <Real Name="Y">299.44061</Real>
-      <Real Name="Z">-420.08798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">164.55542</Real>
-      <Real Name="Y">-252.1886</Real>
-      <Real Name="Z">436.97571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.03229</Real>
-      <Real Name="Y">-111.08784</Real>
-      <Real Name="Z">92.585892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-885.46423</Real>
-      <Real Name="Y">-83.73024</Real>
-      <Real Name="Z">-57.06691</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.81207</Real>
-      <Real Name="Y">-69.788956</Real>
-      <Real Name="Z">3.6640511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">312.90143</Real>
-      <Real Name="Y">42.177246</Real>
-      <Real Name="Z">7.3131104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1533.2124</Real>
-      <Real Name="Y">-268.10193</Real>
-      <Real Name="Z">-639.90228</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">298.84668</Real>
-      <Real Name="Y">-41.605171</Real>
-      <Real Name="Z">203.82086</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1071.9005</Real>
-      <Real Name="Y">337.55316</Real>
-      <Real Name="Z">324.01285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-414.60535</Real>
-      <Real Name="Y">1396.6963</Real>
-      <Real Name="Z">326.30008</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.269663</Real>
-      <Real Name="Y">-723.13293</Real>
-      <Real Name="Z">-590.00214</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">383.87311</Real>
-      <Real Name="Y">-438.32825</Real>
-      <Real Name="Z">485.93811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">200.20433</Real>
-      <Real Name="Y">440.55023</Real>
-      <Real Name="Z">126.63379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.497604</Real>
-      <Real Name="Y">-125.11058</Real>
-      <Real Name="Z">-82.321968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-223.47771</Real>
-      <Real Name="Y">-496.10773</Real>
-      <Real Name="Z">-108.89548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1156.0057</Real>
-      <Real Name="Y">-1972.0508</Real>
-      <Real Name="Z">678.15936</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-122.95121</Real>
-      <Real Name="Y">1194.1389</Real>
-      <Real Name="Z">314.51654</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1030.7716</Real>
-      <Real Name="Y">372.63919</Real>
-      <Real Name="Z">-811.24615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">776.87927</Real>
-      <Real Name="Y">-1294.7695</Real>
-      <Real Name="Z">-289.79825</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-239.76584</Real>
-      <Real Name="Y">679.80609</Real>
-      <Real Name="Z">20.613815</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-496.59177</Real>
-      <Real Name="Y">693.43573</Real>
-      <Real Name="Z">319.41367</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">85.945656</Real>
-      <Real Name="Y">843.07758</Real>
-      <Real Name="Z">1349.7853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-105.1994</Real>
-      <Real Name="Y">-723.44421</Real>
-      <Real Name="Z">-1015.3097</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.93722</Real>
-      <Real Name="Y">7.4774971</Real>
-      <Real Name="Z">-260.68109</Real>
-    </Vector>
-  </Sequence>
+  <Energy Name="dVcoul/dl">
+    <Real Name="Time 0.000000 Step 0 in frame 0">-77.872757</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-77.716484</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-77.504288</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-77.242493</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-76.94445</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">-76.638924</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-76.364861</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-76.499763</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-77.071358</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-78.057755</Real>
+    <Real Name="Time 0.010000 Step 10 in frame 10">-79.391968</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-80.964645</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-82.647415</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-84.310303</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-85.847183</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">-87.190964</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-88.322319</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-89.269363</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-90.098076</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-90.895874</Real>
+    <Real Name="Time 0.020000 Step 20 in frame 20">-91.756027</Real>
+    <Real Name="Time 0.021000 Step 21 in frame 21">-92.751175</Real>
+    <Real Name="Time 0.022000 Step 22 in frame 22">-93.853714</Real>
+    <Real Name="Time 0.023000 Step 23 in frame 23">-95.070648</Real>
+    <Real Name="Time 0.024000 Step 24 in frame 24">-96.371155</Real>
+    <Real Name="Time 0.025000 Step 25 in frame 25">-97.685806</Real>
+    <Real Name="Time 0.026000 Step 26 in frame 26">-98.920258</Real>
+    <Real Name="Time 0.027000 Step 27 in frame 27">-99.954559</Real>
+    <Real Name="Time 0.028000 Step 28 in frame 28">-100.6597</Real>
+    <Real Name="Time 0.029000 Step 29 in frame 29">-100.91674</Real>
+    <Real Name="Time 0.030000 Step 30 in frame 30">-100.63353</Real>
+    <Real Name="Time 0.031000 Step 31 in frame 31">-99.768555</Real>
+    <Real Name="Time 0.032000 Step 32 in frame 32">-98.333786</Real>
+    <Real Name="Time 0.033000 Step 33 in frame 33">-96.40303</Real>
+    <Real Name="Time 0.034000 Step 34 in frame 34">-94.089249</Real>
+    <Real Name="Time 0.035000 Step 35 in frame 35">-91.536819</Real>
+    <Real Name="Time 0.036000 Step 36 in frame 36">-88.894089</Real>
+    <Real Name="Time 0.037000 Step 37 in frame 37">-86.395172</Real>
+    <Real Name="Time 0.038000 Step 38 in frame 38">-84.163986</Real>
+    <Real Name="Time 0.039000 Step 39 in frame 39">-82.286827</Real>
+    <Real Name="Time 0.040000 Step 40 in frame 40">-80.820839</Real>
+    <Real Name="Time 0.041000 Step 41 in frame 41">-79.782623</Real>
+    <Real Name="Time 0.042000 Step 42 in frame 42">-79.156143</Real>
+    <Real Name="Time 0.043000 Step 43 in frame 43">-78.892593</Real>
+    <Real Name="Time 0.044000 Step 44 in frame 44">-78.917526</Real>
+    <Real Name="Time 0.045000 Step 45 in frame 45">-79.144478</Real>
+    <Real Name="Time 0.046000 Step 46 in frame 46">-79.489128</Real>
+    <Real Name="Time 0.047000 Step 47 in frame 47">-79.623444</Real>
+    <Real Name="Time 0.048000 Step 48 in frame 48">-79.511932</Real>
+    <Real Name="Time 0.049000 Step 49 in frame 49">-79.138031</Real>
+    <Real Name="Time 0.050000 Step 50 in frame 50">-78.500427</Real>
+    <Real Name="Time 0.051000 Step 51 in frame 51">-77.612648</Real>
+    <Real Name="Time 0.052000 Step 52 in frame 52">-76.643219</Real>
+    <Real Name="Time 0.053000 Step 53 in frame 53">-75.611252</Real>
+    <Real Name="Time 0.054000 Step 54 in frame 54">-74.548294</Real>
+    <Real Name="Time 0.055000 Step 55 in frame 55">-73.485031</Real>
+    <Real Name="Time 0.056000 Step 56 in frame 56">-72.4608</Real>
+    <Real Name="Time 0.057000 Step 57 in frame 57">-71.385513</Real>
+    <Real Name="Time 0.058000 Step 58 in frame 58">-70.311348</Real>
+    <Real Name="Time 0.059000 Step 59 in frame 59">-69.294205</Real>
+    <Real Name="Time 0.060000 Step 60 in frame 60">-68.385994</Real>
+    <Real Name="Time 0.061000 Step 61 in frame 61">-67.637817</Real>
+    <Real Name="Time 0.062000 Step 62 in frame 62">-67.089478</Real>
+    <Real Name="Time 0.063000 Step 63 in frame 63">-66.766228</Real>
+    <Real Name="Time 0.064000 Step 64 in frame 64">-66.676643</Real>
+    <Real Name="Time 0.065000 Step 65 in frame 65">-66.805649</Real>
+    <Real Name="Time 0.066000 Step 66 in frame 66">-67.123459</Real>
+    <Real Name="Time 0.067000 Step 67 in frame 67">-67.788086</Real>
+    <Real Name="Time 0.068000 Step 68 in frame 68">-68.743294</Real>
+    <Real Name="Time 0.069000 Step 69 in frame 69">-69.921448</Real>
+    <Real Name="Time 0.070000 Step 70 in frame 70">-71.252861</Real>
+    <Real Name="Time 0.071000 Step 71 in frame 71">-72.66301</Real>
+    <Real Name="Time 0.072000 Step 72 in frame 72">-74.08239</Real>
+    <Real Name="Time 0.073000 Step 73 in frame 73">-75.440865</Real>
+    <Real Name="Time 0.074000 Step 74 in frame 74">-76.68605</Real>
+    <Real Name="Time 0.075000 Step 75 in frame 75">-77.778305</Real>
+    <Real Name="Time 0.076000 Step 76 in frame 76">-78.707558</Real>
+    <Real Name="Time 0.077000 Step 77 in frame 77">-79.432983</Real>
+    <Real Name="Time 0.078000 Step 78 in frame 78">-80.010605</Real>
+    <Real Name="Time 0.079000 Step 79 in frame 79">-80.512024</Real>
+    <Real Name="Time 0.080000 Step 80 in frame 80">-81.016243</Real>
+    <Real Name="Time 0.081000 Step 81 in frame 81">-81.58696</Real>
+    <Real Name="Time 0.082000 Step 82 in frame 82">-82.254745</Real>
+    <Real Name="Time 0.083000 Step 83 in frame 83">-83.005646</Real>
+    <Real Name="Time 0.084000 Step 84 in frame 84">-83.777626</Real>
+    <Real Name="Time 0.085000 Step 85 in frame 85">-84.464981</Real>
+    <Real Name="Time 0.086000 Step 86 in frame 86">-84.94146</Real>
+    <Real Name="Time 0.087000 Step 87 in frame 87">-85.089493</Real>
+    <Real Name="Time 0.088000 Step 88 in frame 88">-84.828125</Real>
+    <Real Name="Time 0.089000 Step 89 in frame 89">-84.139664</Real>
+    <Real Name="Time 0.090000 Step 90 in frame 90">-83.075638</Real>
+    <Real Name="Time 0.091000 Step 91 in frame 91">-81.742142</Real>
+    <Real Name="Time 0.092000 Step 92 in frame 92">-79.956558</Real>
+    <Real Name="Time 0.093000 Step 93 in frame 93">-77.849442</Real>
+    <Real Name="Time 0.094000 Step 94 in frame 94">-75.557968</Real>
+    <Real Name="Time 0.095000 Step 95 in frame 95">-73.206947</Real>
+    <Real Name="Time 0.096000 Step 96 in frame 96">-70.902786</Real>
+    <Real Name="Time 0.097000 Step 97 in frame 97">-68.715012</Real>
+    <Real Name="Time 0.098000 Step 98 in frame 98">-66.684258</Real>
+    <Real Name="Time 0.099000 Step 99 in frame 99">-64.815567</Real>
+    <Real Name="Time 0.100000 Step 100 in frame 100">-63.084229</Real>
+  </Energy>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d.xml

index 48a421200849b20d495226905cdb6a68276bc342..2e651c0cefa2a052942c8f4c623a9589cbfbc839 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d.xml
@@ -3,48 +3,48 @@
  <ReferenceData>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.033102414228267</Real>
  <ReferenceData>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.033102414228267</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">38.458030961999079</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">29.183531046067664</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">20.182417064644202</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">12.550122240966058</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.3034853294425357</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.3034853294425357</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">0.83176295631482233</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.4768426619453336</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-9.8606607661823062</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-15.118588323549741</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-19.702625156669566</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-19.702625156669566</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-22.836743573998486</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-23.628185407163024</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-21.232173411490258</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-15.171743697728484</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8027143642586889</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8027143642586889</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">5.3663465855331278</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">15.917391594311852</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">23.367087857025933</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">26.111070007847289</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.934031805396216</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0045634464401</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.934031805396216</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0045634464401</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">16.051558265889156</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">15.60047111656084</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">14.815487247001691</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">13.720242520953043</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">126.98017610175094</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">126.66878500764227</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">126.08521182765173</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">125.27059606489036</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.29227237903201</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.29227237903201</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">10.928317580067109</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">9.4519046985736921</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">8.0455454578105261</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">6.7523265839446225</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">123.23325961817784</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">122.17298931481794</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">121.16785225546532</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">120.24033267609654</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.38007293785594</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.38007293785594</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">4.4653090950906105</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">3.3886895186148323</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">2.3035378941694447</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">1.203808656347114</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">118.55506349067713</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">117.72876747070711</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">116.87770483967418</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">116.0024569240917</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.12522481633813</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.12522481633813</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.88180765037741793</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-1.7516126457103169</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-2.4643984630031568</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-3.0484358084141334</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">114.27272002335596</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">113.45359041608074</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">112.64480896625909</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">111.79476574797278</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">110.83970023529147</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">110.83970023529147</Real>
    </Energy>
    <Energy Name="Potential">
@@ -72,25 +72,25 @@
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825785243975439</Real>
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825785243975439</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.6903350438301099</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.7480902443642281</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-1.7949576248266248</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-1.8261076167896726</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-2.134255318407754</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-2.1841117769948832</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-2.228237185476253</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-2.2618306829869779</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802515417416744</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802515417416744</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-1.8226240081408844</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-1.7829582188958324</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-1.7188840477690097</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-1.6339280410837524</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-2.2802687371227561</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-2.2608008536340689</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-2.2227989042588714</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-2.1685184838402893</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1007565042945853</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1007565042945853</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-1.4226353979556594</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-1.3086920210367499</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-1.1978530595382837</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-1.0959291434774192</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-2.0219745451108206</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-1.9345880110575673</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-1.8408531933727732</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-1.7432913509845227</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.644942435693292</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.644942435693292</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.93451200521819466</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-0.87796452736256991</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-0.83685870759164716</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-0.80984754328916675</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-1.5493738069056155</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-1.4604675339672466</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-1.3820731971842306</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-1.3175452045790588</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.2692007990010661</Real>
    </Energy>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.2692007990010661</Real>
    </Energy>
    <Energy Name="dVremain/dl">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d.xml

index 4dd585f77ff16a3f144069cb92fea6c7156b80e2..d961be5d0b1cb4c80513b4947e73399d37cf62d3 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d.xml
@@ -49,25 +49,25 @@
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825785243975439</Real>
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825785243975439</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.6903376934977044</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.748053714986554</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-1.7947939397992085</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-1.8257050545709432</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-2.1342588204777044</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-2.1841226346416613</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-2.2282514062195089</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-2.2618447678669726</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802875040909001</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802875040909001</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-1.8215801186171843</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-1.7817437907957581</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-1.7178155893139864</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-1.6335054183997877</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-2.2803995514038418</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-2.261154045181331</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-2.2235320684967634</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-2.1697827431259205</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1026736793883423</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1026736793883423</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-1.4257874754439002</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-1.3151491105120527</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-1.2087833360961275</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-1.1124585376894369</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-2.024649867913725</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-1.9381681338343224</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-1.8456173131945168</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-1.7497451445906373</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6538828147092139</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6538828147092139</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.96479363249064976</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-0.91594470410191797</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-0.88293197391377587</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-0.86440484459185463</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-1.5619043958963859</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-1.4779467125105146</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-1.4059776581985854</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-1.3492732805843997</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.3098986228409404</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.3098986228409404</Real>
    </Energy>
    <Energy Name="Potential">
@@ -95,48 +95,48 @@
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0045634464401</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0045634464401</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">16.051556422630199</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">15.601383653836436</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">14.819771493603341</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">13.732408901441765</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">126.98017942550541</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">126.669527224718</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">126.08864792151606</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">125.28026685318869</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.31328262369578</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.31328262369578</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">10.97689828622282</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">9.5295557894673166</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">8.1569479746769105</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">6.8984520917133949</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">123.27161228826282</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">122.2343362322473</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">121.25610233487052</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">120.35670821818186</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.52310233838712</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.52310233838712</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">4.6691574279138877</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">3.6130768931060757</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">2.5472908574089175</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">1.4732978185964711</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">118.72180180645439</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">117.91712515570555</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">117.08901459101375</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">116.24254842101644</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.40237999500786</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.40237999500786</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.51742252359242968</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-1.3216943254446463</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-1.9718699243729461</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-2.5120504186779726</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">114.5927778828628</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">113.81491197098185</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">113.03596400608019</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">112.19566608613165</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">111.22526057316639</Real>
    </Energy>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.033102414228267</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">111.22526057316639</Real>
    </Energy>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.033102414228267</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">38.458089081189264</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">29.187189008460063</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">20.183670641879946</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">12.520212869548995</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.1913708147056816</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.1913708147056816</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">0.57950758913829148</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.91521381246136</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-10.505384909972419</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-15.954182399078592</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-20.666436422511126</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-20.666436422511126</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-23.805649033330099</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-24.41570882636745</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-21.622911883048172</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-15.014462657866183</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.1297498191267747</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.1297498191267747</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">6.2947149987075521</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">16.717520919876918</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">23.72384339572697</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">25.920641595598589</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.326288997347525</Real>
    </Energy>
    <Sequence Name="Time 0.000000 Step 0 F">
      <Real Name="Time 0.020000 Step 20 in frame 20">23.326288997347525</Real>
    </Energy>
    <Sequence Name="Time 0.000000 Step 0 F">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s.xml

index cebb4df8af82a0ab51699a0451fd7fca0a01938d..88e4246c7312369c0988d9fcf08027fd7734ad21 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s.xml
@@ -49,25 +49,25 @@
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825417</Real>
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825417</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.6902883</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.7480044</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-1.7947222</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-1.825639</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-2.1342018</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-2.1840563</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-2.228199</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-2.2618012</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802336</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802336</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-1.8215189</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-1.7816609</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-1.7177445</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-1.6334401</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-2.2803528</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-2.2610927</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-2.2234628</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-2.1697109</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1025841</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1025841</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-1.4256949</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-1.3150051</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-1.2086637</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-1.1123482</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-2.0245776</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-1.9380425</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-1.8455036</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-1.7496431</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6537619</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6537619</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.96471792</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-0.91590434</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-0.88288331</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-0.86436594</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-1.5618367</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-1.477923</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-1.4059085</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-1.3492022</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.3098623</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.3098623</Real>
    </Energy>
    <Energy Name="Potential">
@@ -95,48 +95,48 @@
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0049</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.0049</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">16.051685</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">15.601051</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">14.820145</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">13.731802</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">126.97887</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">126.66846</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">126.08806</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">125.27914</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.31335</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.31335</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">10.975838</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">9.5287704</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">8.1561337</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">6.8978367</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">123.27105</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">122.23379</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">121.25505</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">120.35613</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.52326</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.52326</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">4.6690807</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">3.6124668</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">2.5464401</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">1.4729633</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">118.72171</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">117.91666</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">117.0883</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">116.24145</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.40311</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.40311</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.51775742</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-1.3212109</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-1.9715462</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-2.5115433</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">114.59235</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">113.81493</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">113.03636</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">112.19577</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">111.22552</Real>
    </Energy>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.032852</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">111.22552</Real>
    </Energy>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.032852</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">38.456932</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">29.185734</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">20.182152</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">12.519086</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.1912212</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.1912212</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">0.57992887</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.9157867</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-10.506035</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-15.954282</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-20.667431</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-20.667431</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-23.806871</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-24.416809</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-21.624128</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-15.016253</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.1307201</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.1307201</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">6.2941051</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">16.71825</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">23.725412</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">25.923847</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.331295</Real>
    </Energy>
  </ReferenceData>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.331295</Real>
    </Energy>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s.xml

index bcbccbbb62174b3af998e122858efa61fa42c251..c5d834425a069d90b6b53a8ecf4aff96fca53448 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s.xml
@@ -3,48 +3,48 @@
  <ReferenceData>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.032852</Real>
  <ReferenceData>
    <Energy Name="dVbonded/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">46.032852</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">38.456829</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">29.182606</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">20.18182</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">12.550433</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.3042445</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">6.3042445</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">0.83313179</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.4766369</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-9.8599253</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-15.118002</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-19.700371</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-19.700371</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-22.835737</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-23.62693</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-21.231983</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-15.171934</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8039188</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8039188</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">5.3647118</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">15.91717</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">23.368095</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">26.112976</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.93647</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.00491</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">23.93647</Real>
    </Energy>
    <Energy Name="dVcoul/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">127.00491</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">16.051716</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">15.600168</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">14.815523</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">13.719791</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">126.97895</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">126.66783</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">126.0849</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">125.26963</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.29242</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">124.29242</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">10.927763</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">9.4516869</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">8.0457726</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">6.752018</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">123.23263</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">122.17291</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">121.16786</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">120.23953</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.37987</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">119.37987</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">4.4654522</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">3.3888321</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">2.3031368</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">1.2034798</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">118.55535</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">117.72813</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">116.87734</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">116.00233</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.12468</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">115.12468</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.88201714</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-1.7513542</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-2.4653072</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-3.048893</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">114.27234</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">113.4532</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">112.64407</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">111.79519</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">110.83897</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">110.83897</Real>
    </Energy>
    <Energy Name="Potential">
@@ -72,25 +72,25 @@
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825417</Real>
    </Energy>
    <Energy Name="dVvdw/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825417</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.6902876</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.7480447</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-1.7949224</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-1.8260604</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-2.1342037</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-2.1840565</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-2.2281892</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-2.261766</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802114</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802114</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-1.8226135</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-1.7829289</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-1.718869</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-1.6339163</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-2.2802384</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-2.2607629</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-2.2227721</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-2.1685052</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1007881</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-2.1007881</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-1.4226643</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-1.3087132</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-1.1978877</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-1.0959595</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-2.0220149</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-1.9346248</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-1.8408732</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-1.7433021</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6449302</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-1.6449302</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-0.93450642</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-0.8779397</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-0.83684194</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-0.80985886</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-1.5493664</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-1.4604323</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-1.3820536</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-1.3175548</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.2692176</Real>
    </Energy>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.020000 Step 20 in frame 20">-1.2692176</Real>
    </Energy>
    <Energy Name="dVremain/dl">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d.xml

index 92a2bc3c59b75912b24cd39edde24245801819d5..5c625aed1db51dad2faa4fc90cb6b4c23814839d 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVrestraint/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">206.51491586754966</Real>
  <ReferenceData>
    <Energy Name="dVrestraint/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">206.51491586754966</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">0</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">205.9672682749077</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">203.98955747551011</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">200.58100595410374</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">195.78444760937489</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">189.68837520273797</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">182.43922480266292</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">174.25835950857123</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">165.45104603452398</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">156.39468574905212</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">147.50181391851598</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">147.50181391851598</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">0</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">139.16653638139871</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">131.7134381247418</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">125.36728350740445</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">120.24958953021185</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">116.39407906903023</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">113.76732266054407</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">112.28498263962287</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">111.82195820925479</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">112.22007939199675</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">113.29750734216381</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">113.29750734216381</Real>
    </Energy>
    <Energy Name="Potential">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s.xml

index 60a445e1be849681e46002bf0f6894c21e28d0d2..8910941e3f07b714ca198883625d6c9043f3a873 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVrestraint/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">206.51497</Real>
  <ReferenceData>
    <Energy Name="dVrestraint/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">206.51497</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">0</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">0</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">0</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">0</Real>
-    <Real Name="Time 0.005000 Step 5 in frame 5">0</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">0</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">0</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">0</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">0</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">205.96756</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">203.98979</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">200.58139</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">195.78532</Real>
+    <Real Name="Time 0.005000 Step 5 in frame 5">189.68976</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">182.44023</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">174.25943</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">165.45218</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">156.39548</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">147.50229</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">147.50229</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">0</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">0</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">0</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">0</Real>
-    <Real Name="Time 0.015000 Step 15 in frame 15">0</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">0</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">0</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">0</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">0</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">139.16727</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">131.71378</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">125.36689</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">120.2494</Real>
+    <Real Name="Time 0.015000 Step 15 in frame 15">116.39388</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">113.76642</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">112.28382</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">111.82099</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">112.21928</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">113.29707</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">113.29707</Real>
    </Energy>
    <Energy Name="Potential">
@@ -47,892 +47,4 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1375.6964</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1374.7496</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1375.6964</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1374.7496</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">1328.0801</Real>
-      <Real Name="Y">-905.41962</Real>
-      <Real Name="Z">-186.25797</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-168.43202</Real>
-      <Real Name="Y">-246.43636</Real>
-      <Real Name="Z">-51.156475</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1021.8512</Real>
-      <Real Name="Y">337.99335</Real>
-      <Real Name="Z">-144.86295</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-126.20997</Real>
-      <Real Name="Y">187.18262</Real>
-      <Real Name="Z">32.50943</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">501.29007</Real>
-      <Real Name="Y">1182.1635</Real>
-      <Real Name="Z">187.31845</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">243.30983</Real>
-      <Real Name="Y">-321.04724</Real>
-      <Real Name="Z">-452.61737</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1481.8146</Real>
-      <Real Name="Y">77.127632</Real>
-      <Real Name="Z">1126.9567</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">371.7384</Real>
-      <Real Name="Y">-259.90472</Real>
-      <Real Name="Z">-593.56976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">299.84711</Real>
-      <Real Name="Y">-271.19147</Real>
-      <Real Name="Z">3.3099022</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.9437332</Real>
-      <Real Name="Y">-34.118774</Real>
-      <Real Name="Z">25.598434</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.4130936</Real>
-      <Real Name="Y">29.789534</Real>
-      <Real Name="Z">-15.151001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.692646</Real>
-      <Real Name="Y">15.672777</Real>
-      <Real Name="Z">-6.2329483</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.92453</Real>
-      <Real Name="Y">18.175198</Real>
-      <Real Name="Z">-5.9909973</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.827095</Real>
-      <Real Name="Y">-7.2495995</Real>
-      <Real Name="Z">4.4740391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">7.5941353</Real>
-      <Real Name="Y">-22.388287</Real>
-      <Real Name="Z">3.6513939</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.84644</Real>
-      <Real Name="Y">-59.014282</Real>
-      <Real Name="Z">-670.28906</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-396.07312</Real>
-      <Real Name="Y">36.163364</Real>
-      <Real Name="Z">385.3652</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.5577545</Real>
-      <Real Name="Y">-11.444275</Real>
-      <Real Name="Z">206.57773</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">350.32874</Real>
-      <Real Name="Y">397.17709</Real>
-      <Real Name="Z">-116.30058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-30.5585</Real>
-      <Real Name="Y">-227.96716</Real>
-      <Real Name="Z">94.896805</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-339.72333</Real>
-      <Real Name="Y">-572.75415</Real>
-      <Real Name="Z">260.37488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">651.81378</Real>
-      <Real Name="Y">-500.94174</Real>
-      <Real Name="Z">-426.18787</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-115.29115</Real>
-      <Real Name="Y">125.72142</Real>
-      <Real Name="Z">76.887466</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-650.86029</Real>
-      <Real Name="Y">444.51999</Real>
-      <Real Name="Z">222.33656</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-22.49205</Real>
-      <Real Name="Y">279.29849</Real>
-      <Real Name="Z">51.27597</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.384453</Real>
-      <Real Name="Y">-157.0712</Real>
-      <Real Name="Z">-104.35411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.73877</Real>
-      <Real Name="Y">-208.50685</Real>
-      <Real Name="Z">-132.81796</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-589.78198</Real>
-      <Real Name="Y">237.27377</Real>
-      <Real Name="Z">851.64764</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">395.72586</Real>
-      <Real Name="Y">-34.571304</Real>
-      <Real Name="Z">-874.73145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">174.02786</Real>
-      <Real Name="Y">-179.41884</Real>
-      <Real Name="Z">-67.554199</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1099.5664</Real>
-      <Real Name="Y">553.65118</Real>
-      <Real Name="Z">903.68042</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-161.87419</Real>
-      <Real Name="Y">-835.15405</Real>
-      <Real Name="Z">-374.62759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-835.94647</Real>
-      <Real Name="Y">336.87842</Real>
-      <Real Name="Z">-602.75006</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">367.31354</Real>
-      <Real Name="Y">747.55859</Real>
-      <Real Name="Z">136.28569</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-11.529114</Real>
-      <Real Name="Y">-645.92108</Real>
-      <Real Name="Z">-47.856651</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-95.203033</Real>
-      <Real Name="Y">-129.11758</Real>
-      <Real Name="Z">-33.408222</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">46.295322</Real>
-      <Real Name="Y">-167.90427</Real>
-      <Real Name="Z">-913.22412</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-121.78538</Real>
-      <Real Name="Y">49.506058</Real>
-      <Real Name="Z">273.49045</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">378.02087</Real>
-      <Real Name="Y">-5.7678871</Real>
-      <Real Name="Z">685.09454</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.12416</Real>
-      <Real Name="Y">49.895081</Real>
-      <Real Name="Z">-861.93378</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-268.05084</Real>
-      <Real Name="Y">160.69049</Real>
-      <Real Name="Z">483.4491</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">6.8040199</Real>
-      <Real Name="Y">-196.19897</Real>
-      <Real Name="Z">167.55754</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-645.91718</Real>
-      <Real Name="Y">60.107788</Real>
-      <Real Name="Z">367.77667</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">548.89014</Real>
-      <Real Name="Y">-52.443062</Real>
-      <Real Name="Z">-12.278031</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">145.01877</Real>
-      <Real Name="Y">-23.074142</Real>
-      <Real Name="Z">-246.45247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.208099</Real>
-      <Real Name="Y">37.623688</Real>
-      <Real Name="Z">360.18265</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">243.95145</Real>
-      <Real Name="Y">-5.7312164</Real>
-      <Real Name="Z">-127.35837</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.632771</Real>
-      <Real Name="Y">-114.10121</Real>
-      <Real Name="Z">-113.64888</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-333.63986</Real>
-      <Real Name="Y">-2020.2126</Real>
-      <Real Name="Z">-705.45239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">331.1012</Real>
-      <Real Name="Y">1302.4658</Real>
-      <Real Name="Z">328.3046</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">273.8157</Real>
-      <Real Name="Y">399.7489</Real>
-      <Real Name="Z">73.872589</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">454.22412</Real>
-      <Real Name="Y">1035.556</Real>
-      <Real Name="Z">-836.83051</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-161.20929</Real>
-      <Real Name="Y">-546.36926</Real>
-      <Real Name="Z">227.77548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-295.52246</Real>
-      <Real Name="Y">-418.64044</Real>
-      <Real Name="Z">550.23285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">50.714981</Real>
-      <Real Name="Y">92.956924</Real>
-      <Real Name="Z">0.86141014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.6475163</Real>
-      <Real Name="Y">-40.904976</Real>
-      <Real Name="Z">-1.3789215</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.013699</Real>
-      <Real Name="Y">-30.334343</Real>
-      <Real Name="Z">10.519749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-456.43924</Real>
-      <Real Name="Y">971.5932</Real>
-      <Real Name="Z">410.11536</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">615.54852</Real>
-      <Real Name="Y">-684.91302</Real>
-      <Real Name="Z">-459.81165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">41.963497</Real>
-      <Real Name="Y">-153.75214</Real>
-      <Real Name="Z">-22.296715</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">267.69629</Real>
-      <Real Name="Y">-462.2132</Real>
-      <Real Name="Z">-1386.6565</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-83.662354</Real>
-      <Real Name="Y">332.90689</Real>
-      <Real Name="Z">1034.3909</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.44519</Real>
-      <Real Name="Y">26.493641</Real>
-      <Real Name="Z">210.39384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.14674</Real>
-      <Real Name="Y">-125.65987</Real>
-      <Real Name="Z">-120.06331</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-86.826218</Real>
-      <Real Name="Y">126.72969</Real>
-      <Real Name="Z">74.477928</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-64.104065</Real>
-      <Real Name="Y">41.735107</Real>
-      <Real Name="Z">152.18146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">329.82257</Real>
-      <Real Name="Y">-341.07834</Real>
-      <Real Name="Z">-68.011322</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.4202</Real>
-      <Real Name="Y">415.60812</Real>
-      <Real Name="Z">94.081383</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-103.2318</Real>
-      <Real Name="Y">68.751266</Real>
-      <Real Name="Z">37.600391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">812.92633</Real>
-      <Real Name="Y">-958.58527</Real>
-      <Real Name="Z">-477.29324</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-357.80804</Real>
-      <Real Name="Y">354.71997</Real>
-      <Real Name="Z">551.77094</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-385.34528</Real>
-      <Real Name="Y">996.93488</Real>
-      <Real Name="Z">106.35823</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.4966354</Real>
-      <Real Name="Y">-8.3873444</Real>
-      <Real Name="Z">1.8501663</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.71152878</Real>
-      <Real Name="Y">5.5084839</Real>
-      <Real Name="Z">0.19663811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.8261223</Real>
-      <Real Name="Y">3.4832954</Real>
-      <Real Name="Z">-3.0169563</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-383.9491</Real>
-      <Real Name="Y">868.92578</Real>
-      <Real Name="Z">238.66106</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">283.43579</Real>
-      <Real Name="Y">-487.68692</Real>
-      <Real Name="Z">-676.91138</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-322.44012</Real>
-      <Real Name="Y">-447.69458</Real>
-      <Real Name="Z">303.06247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">371.004</Real>
-      <Real Name="Y">23.711849</Real>
-      <Real Name="Z">-150.32498</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.17123</Real>
-      <Real Name="Y">62.020271</Real>
-      <Real Name="Z">39.461594</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.651581</Real>
-      <Real Name="Y">-34.116806</Real>
-      <Real Name="Z">73.409966</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-516.72321</Real>
-      <Real Name="Y">-1285.8428</Real>
-      <Real Name="Z">-331.92261</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.48422</Real>
-      <Real Name="Y">621.7879</Real>
-      <Real Name="Z">-279.15588</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.69226</Real>
-      <Real Name="Y">655.15479</Real>
-      <Real Name="Z">633.10016</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1197.2902</Real>
-      <Real Name="Y">443.27393</Real>
-      <Real Name="Z">-794.67255</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">821.09784</Real>
-      <Real Name="Y">-311.37335</Real>
-      <Real Name="Z">573.11304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">185.85938</Real>
-      <Real Name="Y">-31.927046</Real>
-      <Real Name="Z">40.545853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">221.95505</Real>
-      <Real Name="Y">425.49542</Real>
-      <Real Name="Z">167.55403</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-31.313751</Real>
-      <Real Name="Y">-132.10576</Real>
-      <Real Name="Z">-73.267296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.17723</Real>
-      <Real Name="Y">-122.47018</Real>
-      <Real Name="Z">-18.45085</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1047.017</Real>
-      <Real Name="Y">-1077.9473</Real>
-      <Real Name="Z">-856.0321</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.24394</Real>
-      <Real Name="Y">211.21786</Real>
-      <Real Name="Z">194.52278</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">576.43445</Real>
-      <Real Name="Y">693.13055</Real>
-      <Real Name="Z">680.25586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.81073</Real>
-      <Real Name="Y">384.37109</Real>
-      <Real Name="Z">-1020.7798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.925613</Real>
-      <Real Name="Y">-314.84653</Real>
-      <Real Name="Z">752.20526</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.983704</Real>
-      <Real Name="Y">34.67823</Real>
-      <Real Name="Z">253.66602</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.83536</Real>
-      <Real Name="Y">-515.9375</Real>
-      <Real Name="Z">-926.99768</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">241.01855</Real>
-      <Real Name="Y">81.225128</Real>
-      <Real Name="Z">144.74394</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.712914</Real>
-      <Real Name="Y">258.8483</Real>
-      <Real Name="Z">802.93335</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-594.66699</Real>
-      <Real Name="Y">-66.321411</Real>
-      <Real Name="Z">-122.3287</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">423.96118</Real>
-      <Real Name="Y">-123.46442</Real>
-      <Real Name="Z">53.935078</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">255.68594</Real>
-      <Real Name="Y">13.463104</Real>
-      <Real Name="Z">84.234901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">611.06403</Real>
-      <Real Name="Y">839.98096</Real>
-      <Real Name="Z">-265.93948</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.76723</Real>
-      <Real Name="Y">-206.92859</Real>
-      <Real Name="Z">15.903809</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-474.36337</Real>
-      <Real Name="Y">-878.25006</Real>
-      <Real Name="Z">-40.947277</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1588.7339</Real>
-      <Real Name="Y">-232.77469</Real>
-      <Real Name="Z">796.08411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-819.45349</Real>
-      <Real Name="Y">397.17056</Real>
-      <Real Name="Z">-589.52014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-208.16838</Real>
-      <Real Name="Y">-145.08554</Real>
-      <Real Name="Z">-321.92294</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-155.82996</Real>
-      <Real Name="Y">54.627377</Real>
-      <Real Name="Z">125.67847</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">164.04228</Real>
-      <Real Name="Y">-162.1525</Real>
-      <Real Name="Z">29.635811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">200.01358</Real>
-      <Real Name="Y">-6.9365005</Real>
-      <Real Name="Z">24.989197</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">850.54883</Real>
-      <Real Name="Y">-484.90958</Real>
-      <Real Name="Z">-96.156876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-585.07996</Real>
-      <Real Name="Y">327.78162</Real>
-      <Real Name="Z">75.857475</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.38504</Real>
-      <Real Name="Y">437.1387</Real>
-      <Real Name="Z">-100.35383</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-128.57202</Real>
-      <Real Name="Y">-1829.7993</Real>
-      <Real Name="Z">26.108131</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">131.28232</Real>
-      <Real Name="Y">246.10884</Real>
-      <Real Name="Z">-29.212749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.65274</Real>
-      <Real Name="Y">1232.6938</Real>
-      <Real Name="Z">-54.418034</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">450.02127</Real>
-      <Real Name="Y">1041.5649</Real>
-      <Real Name="Z">887.98877</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-318.98688</Real>
-      <Real Name="Y">-643.92682</Real>
-      <Real Name="Z">-608.16724</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.35104</Real>
-      <Real Name="Y">-240.23148</Real>
-      <Real Name="Z">-238.99628</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">249.05176</Real>
-      <Real Name="Y">-336.92123</Real>
-      <Real Name="Z">-438.15317</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-278.16458</Real>
-      <Real Name="Y">346.29578</Real>
-      <Real Name="Z">251.85017</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-170.48038</Real>
-      <Real Name="Y">134.61818</Real>
-      <Real Name="Z">498.15747</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">705.51678</Real>
-      <Real Name="Y">-340.79214</Real>
-      <Real Name="Z">-201.04681</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-119.73311</Real>
-      <Real Name="Y">455.21826</Real>
-      <Real Name="Z">-16.030602</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-721.95563</Real>
-      <Real Name="Y">-145.64851</Real>
-      <Real Name="Z">164.36844</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1105.4644</Real>
-      <Real Name="Y">1483.2834</Real>
-      <Real Name="Z">-676.70117</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.7243</Real>
-      <Real Name="Y">-204.35464</Real>
-      <Real Name="Z">94.394508</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">633.70587</Real>
-      <Real Name="Y">-954.17651</Real>
-      <Real Name="Z">445.8291</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">745.11243</Real>
-      <Real Name="Y">16.52681</Real>
-      <Real Name="Z">139.09857</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-164.33755</Real>
-      <Real Name="Y">98.235008</Real>
-      <Real Name="Z">-32.63245</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-917.26093</Real>
-      <Real Name="Y">126.39825</Real>
-      <Real Name="Z">-123.53004</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-772.63013</Real>
-      <Real Name="Y">-1270.5387</Real>
-      <Real Name="Z">100.9455</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">692.72235</Real>
-      <Real Name="Y">966.65375</Real>
-      <Real Name="Z">65.165123</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">48.212032</Real>
-      <Real Name="Y">265.45648</Real>
-      <Real Name="Z">-73.229019</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-119.72446</Real>
-      <Real Name="Y">-684.98834</Real>
-      <Real Name="Z">816.4967</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">138.89417</Real>
-      <Real Name="Y">498.82236</Real>
-      <Real Name="Z">-585.24475</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.289062</Real>
-      <Real Name="Y">73.16777</Real>
-      <Real Name="Z">-119.9601</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">62.342834</Real>
-      <Real Name="Y">-109.94833</Real>
-      <Real Name="Z">269.66519</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.57128</Real>
-      <Real Name="Y">246.46478</Real>
-      <Real Name="Z">-44.672508</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-294.81183</Real>
-      <Real Name="Y">350.87155</Real>
-      <Real Name="Z">70.188057</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">86.489182</Real>
-      <Real Name="Y">493.21359</Real>
-      <Real Name="Z">-79.518631</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-48.404449</Real>
-      <Real Name="Y">-183.92371</Real>
-      <Real Name="Z">70.392128</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">28.468298</Real>
-      <Real Name="Y">-197.2832</Real>
-      <Real Name="Z">32.172958</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">84.057938</Real>
-      <Real Name="Y">775.39368</Real>
-      <Real Name="Z">72.336319</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-51.154591</Real>
-      <Real Name="Y">-171.12547</Real>
-      <Real Name="Z">-64.660454</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-71.92923</Real>
-      <Real Name="Y">-730.57117</Real>
-      <Real Name="Z">-10.302049</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.221291</Real>
-      <Real Name="Y">-726.92511</Real>
-      <Real Name="Z">-203.6001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">172.04897</Real>
-      <Real Name="Y">628.08557</Real>
-      <Real Name="Z">109.01802</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">72.975876</Real>
-      <Real Name="Y">179.24362</Real>
-      <Real Name="Z">40.431633</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.25566</Real>
-      <Real Name="Y">919.89496</Real>
-      <Real Name="Z">781.59467</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.557068</Real>
-      <Real Name="Y">-161.97707</Real>
-      <Real Name="Z">-198.03044</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">178.21704</Real>
-      <Real Name="Y">-711.06641</Real>
-      <Real Name="Z">-526.51447</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-285.40787</Real>
-      <Real Name="Y">322.18402</Real>
-      <Real Name="Z">-416.35892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">158.68941</Real>
-      <Real Name="Y">-264.05405</Real>
-      <Real Name="Z">437.78967</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">143.49042</Real>
-      <Real Name="Y">-127.52937</Real>
-      <Real Name="Z">87.993553</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-877.78296</Real>
-      <Real Name="Y">-122.86922</Real>
-      <Real Name="Z">-62.020088</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.67346</Real>
-      <Real Name="Y">-48.831436</Real>
-      <Real Name="Z">7.5404282</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">310.36789</Real>
-      <Real Name="Y">58.607738</Real>
-      <Real Name="Z">7.0199661</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1509.45</Real>
-      <Real Name="Y">-281.94852</Real>
-      <Real Name="Z">-666.91913</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">289.51474</Real>
-      <Real Name="Y">-38.580463</Real>
-      <Real Name="Z">213.93591</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1063.9144</Real>
-      <Real Name="Y">348.36923</Real>
-      <Real Name="Z">340.38068</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-388.63828</Real>
-      <Real Name="Y">1486.1469</Real>
-      <Real Name="Z">329.82358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.95001221</Real>
-      <Real Name="Y">-750.84192</Real>
-      <Real Name="Z">-583.82733</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">360.83084</Real>
-      <Real Name="Y">-479.94693</Real>
-      <Real Name="Z">486.13925</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">203.07156</Real>
-      <Real Name="Y">434.19211</Real>
-      <Real Name="Z">127.79526</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-68.191162</Real>
-      <Real Name="Y">-121.64478</Real>
-      <Real Name="Z">-82.762993</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-225.25742</Real>
-      <Real Name="Y">-493.06845</Real>
-      <Real Name="Z">-109.82661</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1168.516</Real>
-      <Real Name="Y">-2062.2756</Real>
-      <Real Name="Z">655.573</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-135.16344</Real>
-      <Real Name="Y">1272.9781</Real>
-      <Real Name="Z">326.51572</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1028.6063</Real>
-      <Real Name="Y">412.54956</Real>
-      <Real Name="Z">-793.30304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">795.23907</Real>
-      <Real Name="Y">-1321.1536</Real>
-      <Real Name="Z">-304.05066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-253.04129</Real>
-      <Real Name="Y">692.17523</Real>
-      <Real Name="Z">29.826693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-505.57803</Real>
-      <Real Name="Y">713.30597</Real>
-      <Real Name="Z">327.3511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">67.65976</Real>
-      <Real Name="Y">794.48108</Real>
-      <Real Name="Z">1309.0448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-100.48924</Real>
-      <Real Name="Y">-707.99548</Real>
-      <Real Name="Z">-999.84241</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.229813</Real>
-      <Real Name="Y">31.06391</Real>
-      <Real Name="Z">-230.99925</Real>
-    </Vector>
-  </Sequence>
  </ReferenceData>
  </ReferenceData>
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml

index d778526403813d66f3a691bae98574704faa35de..8b7cfa753bf4ff9946a8add93ad27027069b5fd8 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml
@@ -24,894 +24,6 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1484.4108</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1485.0343</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1484.4108</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1485.0343</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">591.06274</Real>
-      <Real Name="Y">-793.16522</Real>
-      <Real Name="Z">-86.561035</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.09843</Real>
-      <Real Name="Y">-248.34065</Real>
-      <Real Name="Z">33.733166</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-447.86597</Real>
-      <Real Name="Y">277.24841</Real>
-      <Real Name="Z">-222.44661</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-126.20997</Real>
-      <Real Name="Y">187.18262</Real>
-      <Real Name="Z">32.50943</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">956.13464</Real>
-      <Real Name="Y">827.60181</Real>
-      <Real Name="Z">-10.803772</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-124.89921</Real>
-      <Real Name="Y">81.568703</Real>
-      <Real Name="Z">-241.96658</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1274.1816</Real>
-      <Real Name="Y">-168.72632</Real>
-      <Real Name="Z">906.91516</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">250.8654</Real>
-      <Real Name="Y">-118.60684</Real>
-      <Real Name="Z">-464.27521</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">284.15012</Real>
-      <Real Name="Y">-264.2948</Real>
-      <Real Name="Z">-25.474583</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.9437332</Real>
-      <Real Name="Y">-34.118774</Real>
-      <Real Name="Z">25.598434</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.4130936</Real>
-      <Real Name="Y">29.789534</Real>
-      <Real Name="Z">-15.151001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.692646</Real>
-      <Real Name="Y">15.672777</Real>
-      <Real Name="Z">-6.2329483</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.92453</Real>
-      <Real Name="Y">18.175198</Real>
-      <Real Name="Z">-5.9909973</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.827095</Real>
-      <Real Name="Y">-7.2495995</Real>
-      <Real Name="Z">4.4740391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">7.5941353</Real>
-      <Real Name="Y">-22.388287</Real>
-      <Real Name="Z">3.6513939</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.84644</Real>
-      <Real Name="Y">-59.014282</Real>
-      <Real Name="Z">-670.28906</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-396.07312</Real>
-      <Real Name="Y">36.163364</Real>
-      <Real Name="Z">385.3652</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.5577545</Real>
-      <Real Name="Y">-11.444275</Real>
-      <Real Name="Z">206.57773</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">350.32874</Real>
-      <Real Name="Y">397.17709</Real>
-      <Real Name="Z">-116.30058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-30.5585</Real>
-      <Real Name="Y">-227.96716</Real>
-      <Real Name="Z">94.896805</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-339.72333</Real>
-      <Real Name="Y">-572.75415</Real>
-      <Real Name="Z">260.37488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">651.81378</Real>
-      <Real Name="Y">-500.94174</Real>
-      <Real Name="Z">-426.18787</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-115.29115</Real>
-      <Real Name="Y">125.72142</Real>
-      <Real Name="Z">76.887466</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-650.86029</Real>
-      <Real Name="Y">444.51999</Real>
-      <Real Name="Z">222.33656</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-22.49205</Real>
-      <Real Name="Y">279.29849</Real>
-      <Real Name="Z">51.27597</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.384453</Real>
-      <Real Name="Y">-157.0712</Real>
-      <Real Name="Z">-104.35411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.73877</Real>
-      <Real Name="Y">-208.50685</Real>
-      <Real Name="Z">-132.81796</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-589.78198</Real>
-      <Real Name="Y">237.27377</Real>
-      <Real Name="Z">851.64764</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">395.72586</Real>
-      <Real Name="Y">-34.571304</Real>
-      <Real Name="Z">-874.73145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">174.02786</Real>
-      <Real Name="Y">-179.41884</Real>
-      <Real Name="Z">-67.554199</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1099.5664</Real>
-      <Real Name="Y">553.65118</Real>
-      <Real Name="Z">903.68042</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-161.87419</Real>
-      <Real Name="Y">-835.15405</Real>
-      <Real Name="Z">-374.62759</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-835.94647</Real>
-      <Real Name="Y">336.87842</Real>
-      <Real Name="Z">-602.75006</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">367.31354</Real>
-      <Real Name="Y">747.55859</Real>
-      <Real Name="Z">136.28569</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-11.529114</Real>
-      <Real Name="Y">-645.92108</Real>
-      <Real Name="Z">-47.856651</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-95.203033</Real>
-      <Real Name="Y">-129.11758</Real>
-      <Real Name="Z">-33.408222</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">46.295322</Real>
-      <Real Name="Y">-167.90427</Real>
-      <Real Name="Z">-913.22412</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-121.78538</Real>
-      <Real Name="Y">49.506058</Real>
-      <Real Name="Z">273.49045</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">378.02087</Real>
-      <Real Name="Y">-5.7678871</Real>
-      <Real Name="Z">685.09454</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.12416</Real>
-      <Real Name="Y">49.895081</Real>
-      <Real Name="Z">-861.93378</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-268.05084</Real>
-      <Real Name="Y">160.69049</Real>
-      <Real Name="Z">483.4491</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">6.8040199</Real>
-      <Real Name="Y">-196.19897</Real>
-      <Real Name="Z">167.55754</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-645.91718</Real>
-      <Real Name="Y">60.107788</Real>
-      <Real Name="Z">367.77667</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">548.89014</Real>
-      <Real Name="Y">-52.443062</Real>
-      <Real Name="Z">-12.278031</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">145.01877</Real>
-      <Real Name="Y">-23.074142</Real>
-      <Real Name="Z">-246.45247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.208099</Real>
-      <Real Name="Y">37.623688</Real>
-      <Real Name="Z">360.18265</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">243.95145</Real>
-      <Real Name="Y">-5.7312164</Real>
-      <Real Name="Z">-127.35837</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.632771</Real>
-      <Real Name="Y">-114.10121</Real>
-      <Real Name="Z">-113.64888</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-333.63986</Real>
-      <Real Name="Y">-2020.2126</Real>
-      <Real Name="Z">-705.45239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">331.1012</Real>
-      <Real Name="Y">1302.4658</Real>
-      <Real Name="Z">328.3046</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">273.8157</Real>
-      <Real Name="Y">399.7489</Real>
-      <Real Name="Z">73.872589</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">454.22412</Real>
-      <Real Name="Y">1035.556</Real>
-      <Real Name="Z">-836.83051</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-161.20929</Real>
-      <Real Name="Y">-546.36926</Real>
-      <Real Name="Z">227.77548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-295.52246</Real>
-      <Real Name="Y">-418.64044</Real>
-      <Real Name="Z">550.23285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">50.714981</Real>
-      <Real Name="Y">92.956924</Real>
-      <Real Name="Z">0.86141014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.6475163</Real>
-      <Real Name="Y">-40.904976</Real>
-      <Real Name="Z">-1.3789215</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.013699</Real>
-      <Real Name="Y">-30.334343</Real>
-      <Real Name="Z">10.519749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-456.43924</Real>
-      <Real Name="Y">971.5932</Real>
-      <Real Name="Z">410.11536</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">615.54852</Real>
-      <Real Name="Y">-684.91302</Real>
-      <Real Name="Z">-459.81165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">41.963497</Real>
-      <Real Name="Y">-153.75214</Real>
-      <Real Name="Z">-22.296715</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">267.69629</Real>
-      <Real Name="Y">-462.2132</Real>
-      <Real Name="Z">-1386.6565</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-83.662354</Real>
-      <Real Name="Y">332.90689</Real>
-      <Real Name="Z">1034.3909</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.44519</Real>
-      <Real Name="Y">26.493641</Real>
-      <Real Name="Z">210.39384</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.14674</Real>
-      <Real Name="Y">-125.65987</Real>
-      <Real Name="Z">-120.06331</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-86.826218</Real>
-      <Real Name="Y">126.72969</Real>
-      <Real Name="Z">74.477928</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-64.104065</Real>
-      <Real Name="Y">41.735107</Real>
-      <Real Name="Z">152.18146</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">329.82257</Real>
-      <Real Name="Y">-341.07834</Real>
-      <Real Name="Z">-68.011322</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.4202</Real>
-      <Real Name="Y">415.60812</Real>
-      <Real Name="Z">94.081383</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-103.2318</Real>
-      <Real Name="Y">68.751266</Real>
-      <Real Name="Z">37.600391</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">812.92633</Real>
-      <Real Name="Y">-958.58527</Real>
-      <Real Name="Z">-477.29324</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-357.80804</Real>
-      <Real Name="Y">354.71997</Real>
-      <Real Name="Z">551.77094</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-385.34528</Real>
-      <Real Name="Y">996.93488</Real>
-      <Real Name="Z">106.35823</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-2.4966354</Real>
-      <Real Name="Y">-8.3873444</Real>
-      <Real Name="Z">1.8501663</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.71152878</Real>
-      <Real Name="Y">5.5084839</Real>
-      <Real Name="Z">0.19663811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">4.8261223</Real>
-      <Real Name="Y">3.4832954</Real>
-      <Real Name="Z">-3.0169563</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-383.9491</Real>
-      <Real Name="Y">868.92578</Real>
-      <Real Name="Z">238.66106</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">283.43579</Real>
-      <Real Name="Y">-487.68692</Real>
-      <Real Name="Z">-676.91138</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-322.44012</Real>
-      <Real Name="Y">-447.69458</Real>
-      <Real Name="Z">303.06247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">371.004</Real>
-      <Real Name="Y">23.711849</Real>
-      <Real Name="Z">-150.32498</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.17123</Real>
-      <Real Name="Y">62.020271</Real>
-      <Real Name="Z">39.461594</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.651581</Real>
-      <Real Name="Y">-34.116806</Real>
-      <Real Name="Z">73.409966</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-516.72321</Real>
-      <Real Name="Y">-1285.8428</Real>
-      <Real Name="Z">-331.92261</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.48422</Real>
-      <Real Name="Y">621.7879</Real>
-      <Real Name="Z">-279.15588</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.69226</Real>
-      <Real Name="Y">655.15479</Real>
-      <Real Name="Z">633.10016</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1197.2902</Real>
-      <Real Name="Y">443.27393</Real>
-      <Real Name="Z">-794.67255</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">821.09784</Real>
-      <Real Name="Y">-311.37335</Real>
-      <Real Name="Z">573.11304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">185.85938</Real>
-      <Real Name="Y">-31.927046</Real>
-      <Real Name="Z">40.545853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">221.95505</Real>
-      <Real Name="Y">425.49542</Real>
-      <Real Name="Z">167.55403</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-31.313751</Real>
-      <Real Name="Y">-132.10576</Real>
-      <Real Name="Z">-73.267296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.17723</Real>
-      <Real Name="Y">-122.47018</Real>
-      <Real Name="Z">-18.45085</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1047.017</Real>
-      <Real Name="Y">-1077.9473</Real>
-      <Real Name="Z">-856.0321</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.24394</Real>
-      <Real Name="Y">211.21786</Real>
-      <Real Name="Z">194.52278</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">576.43445</Real>
-      <Real Name="Y">693.13055</Real>
-      <Real Name="Z">680.25586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.81073</Real>
-      <Real Name="Y">384.37109</Real>
-      <Real Name="Z">-1020.7798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.925613</Real>
-      <Real Name="Y">-314.84653</Real>
-      <Real Name="Z">752.20526</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.983704</Real>
-      <Real Name="Y">34.67823</Real>
-      <Real Name="Z">253.66602</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-272.83536</Real>
-      <Real Name="Y">-515.9375</Real>
-      <Real Name="Z">-926.99768</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">241.01855</Real>
-      <Real Name="Y">81.225128</Real>
-      <Real Name="Z">144.74394</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.712914</Real>
-      <Real Name="Y">258.8483</Real>
-      <Real Name="Z">802.93335</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-594.66699</Real>
-      <Real Name="Y">-66.321411</Real>
-      <Real Name="Z">-122.3287</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">423.96118</Real>
-      <Real Name="Y">-123.46442</Real>
-      <Real Name="Z">53.935078</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">255.68594</Real>
-      <Real Name="Y">13.463104</Real>
-      <Real Name="Z">84.234901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">611.06403</Real>
-      <Real Name="Y">839.98096</Real>
-      <Real Name="Z">-265.93948</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.76723</Real>
-      <Real Name="Y">-206.92859</Real>
-      <Real Name="Z">15.903809</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-474.36337</Real>
-      <Real Name="Y">-878.25006</Real>
-      <Real Name="Z">-40.947277</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1588.7339</Real>
-      <Real Name="Y">-232.77469</Real>
-      <Real Name="Z">796.08411</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-819.45349</Real>
-      <Real Name="Y">397.17056</Real>
-      <Real Name="Z">-589.52014</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-208.16838</Real>
-      <Real Name="Y">-145.08554</Real>
-      <Real Name="Z">-321.92294</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-155.82996</Real>
-      <Real Name="Y">54.627377</Real>
-      <Real Name="Z">125.67847</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">164.04228</Real>
-      <Real Name="Y">-162.1525</Real>
-      <Real Name="Z">29.635811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">200.01358</Real>
-      <Real Name="Y">-6.9365005</Real>
-      <Real Name="Z">24.989197</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">850.54883</Real>
-      <Real Name="Y">-484.90958</Real>
-      <Real Name="Z">-96.156876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-585.07996</Real>
-      <Real Name="Y">327.78162</Real>
-      <Real Name="Z">75.857475</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.38504</Real>
-      <Real Name="Y">437.1387</Real>
-      <Real Name="Z">-100.35383</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-128.57202</Real>
-      <Real Name="Y">-1829.7993</Real>
-      <Real Name="Z">26.108131</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">131.28232</Real>
-      <Real Name="Y">246.10884</Real>
-      <Real Name="Z">-29.212749</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.65274</Real>
-      <Real Name="Y">1232.6938</Real>
-      <Real Name="Z">-54.418034</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">450.02127</Real>
-      <Real Name="Y">1041.5649</Real>
-      <Real Name="Z">887.98877</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-318.98688</Real>
-      <Real Name="Y">-643.92682</Real>
-      <Real Name="Z">-608.16724</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.35104</Real>
-      <Real Name="Y">-240.23148</Real>
-      <Real Name="Z">-238.99628</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">249.05176</Real>
-      <Real Name="Y">-336.92123</Real>
-      <Real Name="Z">-438.15317</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-278.16458</Real>
-      <Real Name="Y">346.29578</Real>
-      <Real Name="Z">251.85017</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-170.48038</Real>
-      <Real Name="Y">134.61818</Real>
-      <Real Name="Z">498.15747</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">705.51678</Real>
-      <Real Name="Y">-340.79214</Real>
-      <Real Name="Z">-201.04681</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-119.73311</Real>
-      <Real Name="Y">455.21826</Real>
-      <Real Name="Z">-16.030602</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-721.95563</Real>
-      <Real Name="Y">-145.64851</Real>
-      <Real Name="Z">164.36844</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1105.4644</Real>
-      <Real Name="Y">1483.2834</Real>
-      <Real Name="Z">-676.70117</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.7243</Real>
-      <Real Name="Y">-204.35464</Real>
-      <Real Name="Z">94.394508</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">633.70587</Real>
-      <Real Name="Y">-954.17651</Real>
-      <Real Name="Z">445.8291</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">745.11243</Real>
-      <Real Name="Y">16.52681</Real>
-      <Real Name="Z">139.09857</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-164.33755</Real>
-      <Real Name="Y">98.235008</Real>
-      <Real Name="Z">-32.63245</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-917.26093</Real>
-      <Real Name="Y">126.39825</Real>
-      <Real Name="Z">-123.53004</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-772.63013</Real>
-      <Real Name="Y">-1270.5387</Real>
-      <Real Name="Z">100.9455</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">692.72235</Real>
-      <Real Name="Y">966.65375</Real>
-      <Real Name="Z">65.165123</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">48.212032</Real>
-      <Real Name="Y">265.45648</Real>
-      <Real Name="Z">-73.229019</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-119.72446</Real>
-      <Real Name="Y">-684.98834</Real>
-      <Real Name="Z">816.4967</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">138.89417</Real>
-      <Real Name="Y">498.82236</Real>
-      <Real Name="Z">-585.24475</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.289062</Real>
-      <Real Name="Y">73.16777</Real>
-      <Real Name="Z">-119.9601</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">62.342834</Real>
-      <Real Name="Y">-109.94833</Real>
-      <Real Name="Z">269.66519</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.57128</Real>
-      <Real Name="Y">246.46478</Real>
-      <Real Name="Z">-44.672508</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-294.81183</Real>
-      <Real Name="Y">350.87155</Real>
-      <Real Name="Z">70.188057</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">86.489182</Real>
-      <Real Name="Y">493.21359</Real>
-      <Real Name="Z">-79.518631</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-48.404449</Real>
-      <Real Name="Y">-183.92371</Real>
-      <Real Name="Z">70.392128</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">28.468298</Real>
-      <Real Name="Y">-197.2832</Real>
-      <Real Name="Z">32.172958</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">84.057938</Real>
-      <Real Name="Y">775.39368</Real>
-      <Real Name="Z">72.336319</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-51.154591</Real>
-      <Real Name="Y">-171.12547</Real>
-      <Real Name="Z">-64.660454</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-71.92923</Real>
-      <Real Name="Y">-730.57117</Real>
-      <Real Name="Z">-10.302049</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.221291</Real>
-      <Real Name="Y">-726.92511</Real>
-      <Real Name="Z">-203.6001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">172.04897</Real>
-      <Real Name="Y">628.08557</Real>
-      <Real Name="Z">109.01802</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">72.975876</Real>
-      <Real Name="Y">179.24362</Real>
-      <Real Name="Z">40.431633</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.25566</Real>
-      <Real Name="Y">919.89496</Real>
-      <Real Name="Z">781.59467</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.557068</Real>
-      <Real Name="Y">-161.97707</Real>
-      <Real Name="Z">-198.03044</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">178.21704</Real>
-      <Real Name="Y">-711.06641</Real>
-      <Real Name="Z">-526.51447</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-285.40787</Real>
-      <Real Name="Y">322.18402</Real>
-      <Real Name="Z">-416.35892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">158.68941</Real>
-      <Real Name="Y">-264.05405</Real>
-      <Real Name="Z">437.78967</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">143.49042</Real>
-      <Real Name="Y">-127.52937</Real>
-      <Real Name="Z">87.993553</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-877.78296</Real>
-      <Real Name="Y">-122.86922</Real>
-      <Real Name="Z">-62.020088</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.67346</Real>
-      <Real Name="Y">-48.831436</Real>
-      <Real Name="Z">7.5404282</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">310.36789</Real>
-      <Real Name="Y">58.607738</Real>
-      <Real Name="Z">7.0199661</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1509.45</Real>
-      <Real Name="Y">-281.94852</Real>
-      <Real Name="Z">-666.91913</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">289.51474</Real>
-      <Real Name="Y">-38.580463</Real>
-      <Real Name="Z">213.93591</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1063.9144</Real>
-      <Real Name="Y">348.36923</Real>
-      <Real Name="Z">340.38068</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-388.63828</Real>
-      <Real Name="Y">1486.1469</Real>
-      <Real Name="Z">329.82358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.95001221</Real>
-      <Real Name="Y">-750.84192</Real>
-      <Real Name="Z">-583.82733</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">360.83084</Real>
-      <Real Name="Y">-479.94693</Real>
-      <Real Name="Z">486.13925</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">203.07156</Real>
-      <Real Name="Y">434.19211</Real>
-      <Real Name="Z">127.79526</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-68.191162</Real>
-      <Real Name="Y">-121.64478</Real>
-      <Real Name="Z">-82.762993</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-225.25742</Real>
-      <Real Name="Y">-493.06845</Real>
-      <Real Name="Z">-109.82661</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1168.516</Real>
-      <Real Name="Y">-2062.2756</Real>
-      <Real Name="Z">655.573</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-135.16344</Real>
-      <Real Name="Y">1272.9781</Real>
-      <Real Name="Z">326.51572</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1028.6063</Real>
-      <Real Name="Y">412.54956</Real>
-      <Real Name="Z">-793.30304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">795.23907</Real>
-      <Real Name="Y">-1321.1536</Real>
-      <Real Name="Z">-304.05066</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-253.04129</Real>
-      <Real Name="Y">692.17523</Real>
-      <Real Name="Z">29.826693</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-505.57803</Real>
-      <Real Name="Y">713.30597</Real>
-      <Real Name="Z">327.3511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">67.65976</Real>
-      <Real Name="Y">794.48108</Real>
-      <Real Name="Z">1309.0448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-100.48924</Real>
-      <Real Name="Y">-707.99548</Real>
-      <Real Name="Z">-999.84241</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.229813</Real>
-      <Real Name="Y">31.06391</Real>
-      <Real Name="Z">-230.99925</Real>
-    </Vector>
-  </Sequence>
    <XvgLegend Name="Legend">
      <String Name="XvgLegend"><![CDATA[
  title "dH/d\xl\f{} and \xD\f{}H"
    <XvgLegend Name="Legend">
      <String Name="XvgLegend"><![CDATA[
  title "dH/d\xl\f{} and \xD\f{}H"
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d.xml

index e8d03e9540f0224d6542085585f2f5d1f5171889..f0a49e55e7d3f2cc062382fe5ef89b4df20e5abe 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-403.06388813296917</Real>
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-403.06388813296917</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-237.70909347561366</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-243.32379698101829</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-250.1616428327377</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-258.12089094677987</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-253.96615006229098</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-259.92603986340862</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-267.07240196507894</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-275.30689347478324</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-284.49337788151331</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-284.49337788151331</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-276.80499488686326</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-287.13154475438097</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-297.80170822136631</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-308.5786752579736</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-294.44957456744567</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-304.96059506661783</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-315.78431566494504</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-326.68195167186269</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-337.42286840197374</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-337.42286840197374</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-329.57389580174527</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-339.44790444670656</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-348.76531896464809</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-357.48609509586811</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-347.80832966197693</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-357.68596224441012</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-366.96095878022896</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-375.59011652958014</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-383.58251211215855</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-383.58251211215855</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-373.23190901547332</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-380.40078486844538</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-387.23222473825734</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-393.83772936145232</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-390.99695346633183</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-397.91806220314828</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-404.45265161172398</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-410.71764048146508</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-416.82462545788172</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-416.82462545788172</Real>
    </Energy>
    <Energy Name="Potential">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s.xml

index 2facbf4dbc8c4c4d7e5571587a239e46357534f0..ca6bb535a4f98f6961f1afff0f8ce53c06edbca6 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-403.06497</Real>
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-403.06497</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-237.70979</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-243.32495</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-250.16142</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-258.12186</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-253.96687</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-259.92755</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-267.07382</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-275.30872</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-284.49344</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-284.49344</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-276.80606</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-287.13171</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-297.80124</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-308.57797</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-294.45142</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-304.96317</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-315.78943</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-326.6861</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-337.42145</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-337.42145</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-329.5708</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-339.44519</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-348.76297</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-357.4845</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-347.81171</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-357.68927</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-366.96466</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-375.59464</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-383.57996</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-383.57996</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-373.22916</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-380.39816</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-387.23053</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-393.83496</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-391.0011</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-397.92001</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-404.45468</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-410.71732</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-416.82217</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-416.82217</Real>
    </Energy>
    <Energy Name="Potential">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d.xml

index 3a7c8f07b4e139b0c3091824d7e81562808629c2..803bd5b8846eb20c69725afeb7737f91b415b4b2 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-3.1579660938449625</Real>
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-3.1579660938449625</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.3188339027226335</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.6902674141103669</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-2.065972216158511</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-2.4364635733905211</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-3.3263559383544492</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-3.5297738469817119</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-3.7699659233410867</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-4.0424294615879877</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-4.3398527356411449</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-4.3398527356411449</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-3.1194658092876857</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-3.4042013082674414</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-3.6326936955919646</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-3.7937071042052284</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-4.649317374841524</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.9561346677898781</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-5.2452260403174771</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-5.5025783945027662</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-5.7160414056179887</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-5.7160414056179887</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-3.8891904319258441</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-3.8254887801389725</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-3.6971812947220655</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-3.5174690125367767</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-5.8749717165020394</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-5.9714574621282077</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-5.997325778336636</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-5.9464127736573493</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8137779498665916</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8137779498665916</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-3.0640599938031565</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-2.8225079022374975</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-2.58958906692069</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-2.3754573412968494</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-5.6005130698418695</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-5.3144092175967765</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-4.9713419546830684</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-4.5938561034716328</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-4.2074420039982288</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-4.2074420039982288</Real>
    </Energy>
    <Energy Name="Potential">
diff --git a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s.xml b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s.xml

index 32c0b3bfd1aa7a3b2a947370dc0ae1bd82141946..2c69f47e5dff89868622a2adf421b9b0da1b687c 100644 (file)
--- a/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s.xml
+++ b/src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s.xml
@@ -3,25 +3,25 @@
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-3.1578636</Real>
  <ReferenceData>
    <Energy Name="dVremain/dl">
      <Real Name="Time 0.000000 Step 0 in frame 0">-3.1578636</Real>
-    <Real Name="Time 0.001000 Step 1 in frame 1">-1.3187587</Real>
-    <Real Name="Time 0.002000 Step 2 in frame 2">-1.6902198</Real>
-    <Real Name="Time 0.003000 Step 3 in frame 3">-2.0658941</Real>
-    <Real Name="Time 0.004000 Step 4 in frame 4">-2.4364743</Real>
+    <Real Name="Time 0.001000 Step 1 in frame 1">-3.3262589</Real>
+    <Real Name="Time 0.002000 Step 2 in frame 2">-3.529695</Real>
+    <Real Name="Time 0.003000 Step 3 in frame 3">-3.7698441</Real>
+    <Real Name="Time 0.004000 Step 4 in frame 4">-4.042407</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-4.3400421</Real>
      <Real Name="Time 0.005000 Step 5 in frame 5">-4.3400421</Real>
-    <Real Name="Time 0.006000 Step 6 in frame 6">-3.1195583</Real>
-    <Real Name="Time 0.007000 Step 7 in frame 7">-3.4044375</Real>
-    <Real Name="Time 0.008000 Step 8 in frame 8">-3.6330967</Real>
-    <Real Name="Time 0.009000 Step 9 in frame 9">-3.7941656</Real>
+    <Real Name="Time 0.006000 Step 6 in frame 6">-4.6494155</Real>
+    <Real Name="Time 0.007000 Step 7 in frame 7">-4.9564033</Real>
+    <Real Name="Time 0.008000 Step 8 in frame 8">-5.2456665</Real>
+    <Real Name="Time 0.009000 Step 9 in frame 9">-5.5030651</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-5.7163758</Real>
      <Real Name="Time 0.010000 Step 10 in frame 10">-5.7163758</Real>
-    <Real Name="Time 0.011000 Step 11 in frame 11">-3.8896732</Real>
-    <Real Name="Time 0.012000 Step 12 in frame 12">-3.8260446</Real>
-    <Real Name="Time 0.013000 Step 13 in frame 13">-3.6977625</Real>
-    <Real Name="Time 0.014000 Step 14 in frame 14">-3.5181885</Real>
+    <Real Name="Time 0.011000 Step 11 in frame 11">-5.8755779</Real>
+    <Real Name="Time 0.012000 Step 12 in frame 12">-5.9721389</Real>
+    <Real Name="Time 0.013000 Step 13 in frame 13">-5.9979877</Real>
+    <Real Name="Time 0.014000 Step 14 in frame 14">-5.9472361</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8145547</Real>
      <Real Name="Time 0.015000 Step 15 in frame 15">-5.8145547</Real>
-    <Real Name="Time 0.016000 Step 16 in frame 16">-3.0647001</Real>
-    <Real Name="Time 0.017000 Step 17 in frame 17">-2.8231373</Real>
-    <Real Name="Time 0.018000 Step 18 in frame 18">-2.5900869</Real>
-    <Real Name="Time 0.019000 Step 19 in frame 19">-2.375895</Real>
+    <Real Name="Time 0.016000 Step 16 in frame 16">-5.6011786</Real>
+    <Real Name="Time 0.017000 Step 17 in frame 17">-5.3150477</Real>
+    <Real Name="Time 0.018000 Step 18 in frame 18">-4.9718103</Real>
+    <Real Name="Time 0.019000 Step 19 in frame 19">-4.594388</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-4.2078023</Real>
    </Energy>
    <Energy Name="Potential">
      <Real Name="Time 0.020000 Step 20 in frame 20">-4.2078023</Real>
    </Energy>
    <Energy Name="Potential">
@@ -47,892 +47,4 @@
      <Real Name="Time 0.019000 Step 19 in frame 19">-1283.5985</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1286.9448</Real>
    </Energy>
      <Real Name="Time 0.019000 Step 19 in frame 19">-1283.5985</Real>
      <Real Name="Time 0.020000 Step 20 in frame 20">-1286.9448</Real>
    </Energy>
-  <Sequence Name="Time 0.000000 Step 0 F">
-    <Int Name="Length">177</Int>
-    <Vector>
-      <Real Name="X">560.16492</Real>
-      <Real Name="Y">-775.82928</Real>
-      <Real Name="Z">-164.16643</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-162.63701</Real>
-      <Real Name="Y">-235.29694</Real>
-      <Real Name="Z">28.559114</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-450.27435</Real>
-      <Real Name="Y">281.00803</Real>
-      <Real Name="Z">-214.39891</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-76.057083</Real>
-      <Real Name="Y">178.09377</Real>
-      <Real Name="Z">107.30103</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">745.82031</Real>
-      <Real Name="Y">613.61011</Real>
-      <Real Name="Z">-39.247734</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.57391</Real>
-      <Real Name="Y">184.74165</Real>
-      <Real Name="Z">-230.01987</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-828.03705</Real>
-      <Real Name="Y">313.97644</Real>
-      <Real Name="Z">1121.9968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">38.106876</Real>
-      <Real Name="Y">-203.46571</Real>
-      <Real Name="Z">-499.97742</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">447.3858</Real>
-      <Real Name="Y">-341.67203</Real>
-      <Real Name="Z">-146.88185</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">10.925804</Real>
-      <Real Name="Y">-30.976189</Real>
-      <Real Name="Z">20.380272</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">2.0141983</Real>
-      <Real Name="Y">27.856314</Real>
-      <Real Name="Z">-12.695366</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-9.2674408</Real>
-      <Real Name="Y">14.475534</Real>
-      <Real Name="Z">-4.0459976</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.22610474</Real>
-      <Real Name="Y">23.698967</Real>
-      <Real Name="Z">-7.1104736</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.8458405</Real>
-      <Real Name="Y">-9.5181484</Real>
-      <Real Name="Z">4.7690716</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">5.3456688</Real>
-      <Real Name="Y">-24.903942</Real>
-      <Real Name="Z">4.5986137</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">364.96179</Real>
-      <Real Name="Y">-59.604706</Real>
-      <Real Name="Z">-670.1571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.81146</Real>
-      <Real Name="Y">36.204243</Real>
-      <Real Name="Z">385.08865</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-6.8211288</Real>
-      <Real Name="Y">-11.299082</Real>
-      <Real Name="Z">206.28496</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">394.26355</Real>
-      <Real Name="Y">432.22849</Real>
-      <Real Name="Z">-97.821304</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-49.851814</Real>
-      <Real Name="Y">-238.51105</Real>
-      <Real Name="Z">85.78244</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-370.92975</Real>
-      <Real Name="Y">-600.14075</Real>
-      <Real Name="Z">242.79077</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">643.13</Real>
-      <Real Name="Y">-492.27618</Real>
-      <Real Name="Z">-420.98648</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-111.97176</Real>
-      <Real Name="Y">121.35711</Real>
-      <Real Name="Z">75.023636</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-645.06006</Real>
-      <Real Name="Y">438.33389</Real>
-      <Real Name="Z">218.99048</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-19.018064</Real>
-      <Real Name="Y">295.74365</Real>
-      <Real Name="Z">69.894882</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">88.252739</Real>
-      <Real Name="Y">-163.91307</Real>
-      <Real Name="Z">-112.35473</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-116.12119</Real>
-      <Real Name="Y">-215.1304</Real>
-      <Real Name="Z">-140.17712</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-591.89911</Real>
-      <Real Name="Y">297.62549</Real>
-      <Real Name="Z">826.34424</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">397.93842</Real>
-      <Real Name="Y">-70.315125</Real>
-      <Real Name="Z">-868.24725</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">176.87331</Real>
-      <Real Name="Y">-199.27788</Real>
-      <Real Name="Z">-58.264145</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1115.1495</Real>
-      <Real Name="Y">629.93915</Real>
-      <Real Name="Z">795.45282</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.5452</Real>
-      <Real Name="Y">-873.28632</Real>
-      <Real Name="Z">-339.25296</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-870.47675</Real>
-      <Real Name="Y">286.55475</Real>
-      <Real Name="Z">-544.52521</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">357.06366</Real>
-      <Real Name="Y">756.95844</Real>
-      <Real Name="Z">146.15584</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-4.1041641</Real>
-      <Real Name="Y">-651.95844</Real>
-      <Real Name="Z">-54.851482</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-90.345825</Real>
-      <Real Name="Y">-131.84966</Real>
-      <Real Name="Z">-37.247372</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-20.407047</Real>
-      <Real Name="Y">-138.53905</Real>
-      <Real Name="Z">-868.91284</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-69.01487</Real>
-      <Real Name="Y">7.3681154</Real>
-      <Real Name="Z">237.56247</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">409.1962</Real>
-      <Real Name="Y">-13.744339</Real>
-      <Real Name="Z">674.30853</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">90.694618</Real>
-      <Real Name="Y">50.061829</Real>
-      <Real Name="Z">-863.78394</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-246.26122</Real>
-      <Real Name="Y">161.93843</Real>
-      <Real Name="Z">488.15155</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">20.568638</Real>
-      <Real Name="Y">-198.69077</Real>
-      <Real Name="Z">167.75015</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-614.61157</Real>
-      <Real Name="Y">104.50482</Real>
-      <Real Name="Z">354.03036</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">537.62415</Real>
-      <Real Name="Y">-78.613785</Real>
-      <Real Name="Z">-4.2482901</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">129.13351</Real>
-      <Real Name="Y">-43.662777</Real>
-      <Real Name="Z">-245.23721</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-106.56845</Real>
-      <Real Name="Y">29.627792</Real>
-      <Real Name="Z">363.06107</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">246.89545</Real>
-      <Real Name="Y">-1.2883682</Real>
-      <Real Name="Z">-127.71266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">59.181488</Real>
-      <Real Name="Y">-111.70288</Real>
-      <Real Name="Z">-115.61073</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-356.31265</Real>
-      <Real Name="Y">-2083.4021</Real>
-      <Real Name="Z">-695.05737</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">338.5383</Real>
-      <Real Name="Y">1335.4231</Real>
-      <Real Name="Z">310.34689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">276.91052</Real>
-      <Real Name="Y">426.71542</Real>
-      <Real Name="Z">68.866402</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">408.92999</Real>
-      <Real Name="Y">978.77844</Real>
-      <Real Name="Z">-851.55042</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-141.87756</Real>
-      <Real Name="Y">-531.63434</Real>
-      <Real Name="Z">230.45872</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-250.61594</Real>
-      <Real Name="Y">-386.77625</Real>
-      <Real Name="Z">568.34509</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">52.995796</Real>
-      <Real Name="Y">98.713974</Real>
-      <Real Name="Z">5.9983025</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-10.455554</Real>
-      <Real Name="Y">-43.458389</Real>
-      <Real Name="Z">-3.6231194</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-21.239048</Real>
-      <Real Name="Y">-33.183907</Real>
-      <Real Name="Z">8.2902775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-423.88623</Real>
-      <Real Name="Y">988.97534</Real>
-      <Real Name="Z">389.60474</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">598.97217</Real>
-      <Real Name="Y">-698.11646</Real>
-      <Real Name="Z">-450.10861</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">30.343483</Real>
-      <Real Name="Y">-160.39758</Real>
-      <Real Name="Z">-11.909847</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">156.71974</Real>
-      <Real Name="Y">-502.93311</Real>
-      <Real Name="Z">-1442.6196</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-46.964081</Real>
-      <Real Name="Y">370.46133</Real>
-      <Real Name="Z">1053.1552</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-283.37589</Real>
-      <Real Name="Y">14.029888</Real>
-      <Real Name="Z">269.58936</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">180.54297</Real>
-      <Real Name="Y">-124.31937</Real>
-      <Real Name="Z">-117.58147</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-85.880951</Real>
-      <Real Name="Y">126.24585</Real>
-      <Real Name="Z">72.835114</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-62.938107</Real>
-      <Real Name="Y">40.618141</Real>
-      <Real Name="Z">150.70537</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">331.19733</Real>
-      <Real Name="Y">-338.35446</Real>
-      <Real Name="Z">-76.468643</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-289.71738</Real>
-      <Real Name="Y">414.147</Real>
-      <Real Name="Z">98.183876</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-104.25122</Real>
-      <Real Name="Y">67.408051</Real>
-      <Real Name="Z">41.300266</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">724.01038</Real>
-      <Real Name="Y">-249.70982</Real>
-      <Real Name="Z">-584.33594</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-344.99899</Real>
-      <Real Name="Y">205.72139</Real>
-      <Real Name="Z">640.11542</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-247.02272</Real>
-      <Real Name="Y">324.86865</Real>
-      <Real Name="Z">148.15186</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">0.68766022</Real>
-      <Real Name="Y">-10.919334</Real>
-      <Real Name="Z">9.5573883</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-0.5278492</Real>
-      <Real Name="Y">6.9944229</Real>
-      <Real Name="Z">-2.9469452</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">3.7969704</Real>
-      <Real Name="Y">4.9394989</Real>
-      <Real Name="Z">-7.0647907</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-407.1109</Real>
-      <Real Name="Y">846.24829</Real>
-      <Real Name="Z">252.97472</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">291.08258</Real>
-      <Real Name="Y">-480.01971</Real>
-      <Real Name="Z">-680.65302</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.95667</Real>
-      <Real Name="Y">-441.6496</Real>
-      <Real Name="Z">290.35001</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">370.52753</Real>
-      <Real Name="Y">32.474689</Real>
-      <Real Name="Z">-151.86365</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.64911</Real>
-      <Real Name="Y">57.971031</Real>
-      <Real Name="Z">40.010414</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-91.314713</Real>
-      <Real Name="Y">-39.183544</Real>
-      <Real Name="Z">74.100586</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-596.52307</Real>
-      <Real Name="Y">-1291.9413</Real>
-      <Real Name="Z">-303.77917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">218.88113</Real>
-      <Real Name="Y">615.97302</Real>
-      <Real Name="Z">-293.4668</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">393.9408</Real>
-      <Real Name="Y">650.36456</Real>
-      <Real Name="Z">617.01917</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1193.564</Real>
-      <Real Name="Y">443.09839</Real>
-      <Real Name="Z">-792.07574</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">819.54901</Real>
-      <Real Name="Y">-311.52759</Real>
-      <Real Name="Z">572.28064</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">184.21558</Real>
-      <Real Name="Y">-31.884295</Real>
-      <Real Name="Z">38.946358</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">216.15753</Real>
-      <Real Name="Y">430.48151</Real>
-      <Real Name="Z">164.33649</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.185656</Real>
-      <Real Name="Y">-134.87021</Real>
-      <Real Name="Z">-70.851448</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-108.02281</Real>
-      <Real Name="Y">-124.21425</Real>
-      <Real Name="Z">-17.181404</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1046.2062</Real>
-      <Real Name="Y">-1074.0594</Real>
-      <Real Name="Z">-860.1192</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">182.09605</Real>
-      <Real Name="Y">209.2016</Real>
-      <Real Name="Z">196.16069</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">575.92712</Real>
-      <Real Name="Y">691.03589</Real>
-      <Real Name="Z">682.34711</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">197.87489</Real>
-      <Real Name="Y">390.16568</Real>
-      <Real Name="Z">-1022.8798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-99.947098</Real>
-      <Real Name="Y">-318.27917</Real>
-      <Real Name="Z">753.25494</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">55.99823</Real>
-      <Real Name="Y">32.162571</Real>
-      <Real Name="Z">254.53839</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-271.83133</Real>
-      <Real Name="Y">-511.42389</Real>
-      <Real Name="Z">-930.75775</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">240.26678</Real>
-      <Real Name="Y">79.126808</Real>
-      <Real Name="Z">146.98911</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">54.370152</Real>
-      <Real Name="Y">256.5076</Real>
-      <Real Name="Z">804.46674</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-438.81412</Real>
-      <Real Name="Y">-223.36752</Real>
-      <Real Name="Z">-199.19012</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">224.94597</Real>
-      <Real Name="Y">60.396034</Real>
-      <Real Name="Z">145.17058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">225.78027</Real>
-      <Real Name="Y">77.065506</Real>
-      <Real Name="Z">123.62689</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">568.83929</Real>
-      <Real Name="Y">813.67346</Real>
-      <Real Name="Z">-260.60638</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-117.33185</Real>
-      <Real Name="Y">-198.43544</Real>
-      <Real Name="Z">15.699821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-449.9657</Real>
-      <Real Name="Y">-861.01874</Real>
-      <Real Name="Z">-32.847767</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1744.7449</Real>
-      <Real Name="Y">-146.71201</Real>
-      <Real Name="Z">947.75922</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-863.39832</Real>
-      <Real Name="Y">303.07144</Real>
-      <Real Name="Z">-704.97058</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-345.04962</Real>
-      <Real Name="Y">-176.10233</Real>
-      <Real Name="Z">-382.00201</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-153.51324</Real>
-      <Real Name="Y">55.68367</Real>
-      <Real Name="Z">125.95101</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">163.0448</Real>
-      <Real Name="Y">-162.75539</Real>
-      <Real Name="Z">29.864437</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">198.87985</Real>
-      <Real Name="Y">-7.5582418</Real>
-      <Real Name="Z">25.019432</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">687.48944</Real>
-      <Real Name="Y">-345.39349</Real>
-      <Real Name="Z">42.984257</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-478.77271</Real>
-      <Real Name="Y">292.2962</Real>
-      <Real Name="Z">25.484558</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-395.64474</Real>
-      <Real Name="Y">328.12592</Real>
-      <Real Name="Z">-128.69678</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-129.70667</Real>
-      <Real Name="Y">-1811.1146</Real>
-      <Real Name="Z">50.021095</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">128.98105</Real>
-      <Real Name="Y">237.25067</Real>
-      <Real Name="Z">-41.168339</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">183.38527</Real>
-      <Real Name="Y">1224.5275</Real>
-      <Real Name="Z">-63.084476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">423.36807</Real>
-      <Real Name="Y">1028.9308</Real>
-      <Real Name="Z">825.75165</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-305.67789</Real>
-      <Real Name="Y">-646.07843</Real>
-      <Real Name="Z">-555.45239</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-56.187481</Real>
-      <Real Name="Y">-238.70564</Real>
-      <Real Name="Z">-216.71841</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-54.446739</Real>
-      <Real Name="Y">-447.62561</Real>
-      <Real Name="Z">-500.98169</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-158.08191</Real>
-      <Real Name="Y">376.0954</Real>
-      <Real Name="Z">254.38142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-93.62793</Real>
-      <Real Name="Y">161.07248</Real>
-      <Real Name="Z">477.57007</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">846.24982</Real>
-      <Real Name="Y">-284.14038</Real>
-      <Real Name="Z">-279.10016</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-199.05643</Real>
-      <Real Name="Y">452.46204</Real>
-      <Real Name="Z">22.097107</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-761.2276</Real>
-      <Real Name="Y">-163.09406</Real>
-      <Real Name="Z">188.54044</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1087.0122</Real>
-      <Real Name="Y">1521.0803</Real>
-      <Real Name="Z">-673.28552</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.66171</Real>
-      <Real Name="Y">-219.61053</Real>
-      <Real Name="Z">95.491249</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">620.03485</Real>
-      <Real Name="Y">-974.03101</Real>
-      <Real Name="Z">441.56821</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">743.21619</Real>
-      <Real Name="Y">29.394814</Real>
-      <Real Name="Z">149.52885</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-163.6862</Real>
-      <Real Name="Y">92.882713</Real>
-      <Real Name="Z">-36.452312</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-914.89764</Real>
-      <Real Name="Y">119.96918</Real>
-      <Real Name="Z">-128.94379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-822.58942</Real>
-      <Real Name="Y">-1220.8199</Real>
-      <Real Name="Z">114.17398</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">707.68378</Real>
-      <Real Name="Y">941.33618</Real>
-      <Real Name="Z">60.082314</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">68.118355</Real>
-      <Real Name="Y">251.30519</Real>
-      <Real Name="Z">-76.473816</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-136.64589</Real>
-      <Real Name="Y">-697.23053</Real>
-      <Real Name="Z">809.20074</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.8913</Real>
-      <Real Name="Y">509.84113</Real>
-      <Real Name="Z">-581.41943</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-50.67886</Real>
-      <Real Name="Y">79.15834</Real>
-      <Real Name="Z">-119.01872</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">69.200943</Real>
-      <Real Name="Y">-148.69383</Real>
-      <Real Name="Z">341.95465</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-28.626726</Real>
-      <Real Name="Y">255.32982</Real>
-      <Real Name="Z">-74.753937</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-285.06201</Real>
-      <Real Name="Y">369.95981</Real>
-      <Real Name="Z">26.579353</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">82.726593</Real>
-      <Real Name="Y">465.92172</Real>
-      <Real Name="Z">-66.92263</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-52.497044</Real>
-      <Real Name="Y">-170.16011</Real>
-      <Real Name="Z">64.423462</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">32.73671</Real>
-      <Real Name="Y">-177.85538</Real>
-      <Real Name="Z">21.967012</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.752823</Real>
-      <Real Name="Y">766.99323</Real>
-      <Real Name="Z">75.477798</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-45.588104</Real>
-      <Real Name="Y">-166.13193</Real>
-      <Real Name="Z">-66.487488</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.568993</Real>
-      <Real Name="Y">-724.08154</Real>
-      <Real Name="Z">-12.754246</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-97.510574</Real>
-      <Real Name="Y">-723.00421</Real>
-      <Real Name="Z">-210.45476</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">171.88062</Real>
-      <Real Name="Y">626.18372</Real>
-      <Real Name="Z">111.89783</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">73.519997</Real>
-      <Real Name="Y">176.58563</Real>
-      <Real Name="Z">44.482582</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">89.218536</Real>
-      <Real Name="Y">786.16846</Real>
-      <Real Name="Z">544.71295</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">14.387653</Real>
-      <Real Name="Y">-180.10947</Real>
-      <Real Name="Z">-82.72142</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">139.17728</Real>
-      <Real Name="Y">-585.65979</Real>
-      <Real Name="Z">-443.16635</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-295.15359</Real>
-      <Real Name="Y">299.40933</Real>
-      <Real Name="Z">-420.1748</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">164.55542</Real>
-      <Real Name="Y">-252.1886</Real>
-      <Real Name="Z">436.97571</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">150.03229</Real>
-      <Real Name="Y">-111.08784</Real>
-      <Real Name="Z">92.585892</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-885.4577</Real>
-      <Real Name="Y">-83.699646</Real>
-      <Real Name="Z">-57.061874</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">730.81207</Real>
-      <Real Name="Y">-69.788956</Real>
-      <Real Name="Z">3.6640511</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">312.90143</Real>
-      <Real Name="Y">42.177246</Real>
-      <Real Name="Z">7.3131104</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1533.2124</Real>
-      <Real Name="Y">-268.07193</Real>
-      <Real Name="Z">-639.87036</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">298.84668</Real>
-      <Real Name="Y">-41.605171</Real>
-      <Real Name="Z">203.82086</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1071.9005</Real>
-      <Real Name="Y">337.55316</Real>
-      <Real Name="Z">324.01285</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-413.93738</Real>
-      <Real Name="Y">1396.3585</Real>
-      <Real Name="Z">325.87701</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">15.269648</Real>
-      <Real Name="Y">-723.13293</Real>
-      <Real Name="Z">-590.00214</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">383.87311</Real>
-      <Real Name="Y">-438.32825</Real>
-      <Real Name="Z">485.93811</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">200.20433</Real>
-      <Real Name="Y">440.55023</Real>
-      <Real Name="Z">126.63379</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-66.497604</Real>
-      <Real Name="Y">-125.11058</Real>
-      <Real Name="Z">-82.321968</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-223.47771</Real>
-      <Real Name="Y">-496.10773</Real>
-      <Real Name="Z">-108.89548</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">1155.9902</Real>
-      <Real Name="Y">-1972.2001</Real>
-      <Real Name="Z">678.14453</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-122.95121</Real>
-      <Real Name="Y">1194.139</Real>
-      <Real Name="Z">314.51654</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-1030.7716</Real>
-      <Real Name="Y">372.63919</Real>
-      <Real Name="Z">-811.24615</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">776.88306</Real>
-      <Real Name="Y">-1294.7927</Real>
-      <Real Name="Z">-289.80396</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-239.76584</Real>
-      <Real Name="Y">679.80609</Real>
-      <Real Name="Z">20.613815</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-496.59177</Real>
-      <Real Name="Y">693.43573</Real>
-      <Real Name="Z">319.41367</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">85.915276</Real>
-      <Real Name="Y">843.01392</Real>
-      <Real Name="Z">1349.7611</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-105.1994</Real>
-      <Real Name="Y">-723.44421</Real>
-      <Real Name="Z">-1015.3097</Real>
-    </Vector>
-    <Vector>
-      <Real Name="X">-113.93722</Real>
-      <Real Name="Y">7.4774971</Real>
-      <Real Name="Z">-260.68109</Real>
-    </Vector>
-  </Sequence>
  </ReferenceData>
  </ReferenceData>
author	Berk Hess <hess@kth.se>
	Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)
committer	Berk Hess <hess@kth.se>
	Fri, 10 Sep 2021 07:52:41 +0000 (07:52 +0000)
docs/release-notes/2022/major/bugs-fixed.rst		patch \| blob \| history
src/gromacs/mdrun/md.cpp		patch \| blob \| history
src/gromacs/mdrunutility/freeenergy.cpp		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_coul_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwsequential_vdw_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_coulandvdwtogether_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_expanded_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_position_restraints_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_relative_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_restraints_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_simtemp_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_transformAtoB_s.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_d.xml		patch \| blob \| history
src/programs/mdrun/tests/refdata/FreeEnergyCalculationsAreEquivalentToReference_FreeEnergyReferenceTest_WithinTolerances_vdwalone_s.xml		patch \| blob \| history