src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_7.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Sequence Name="Properties">
   5     <Int Name="Length">3</Int>
   6     <String>stage:           initial</String>
   7     <String>convolve forces: yes</String>
   8     <String>skip updates:    yes</String>
   9   </Sequence>
  10   <Sequence Name="Force">
  11     <Int Name="Length">21</Int>
  12     <Real>0.21526724902654029</Real>
  13     <Real>0.00037168043378189554</Real>
  14     <Real>0.0023506021278633634</Real>
  15     <Real>1.8322908294787776e-14</Real>
  16     <Real>1.8182159860257569e-05</Real>
  17     <Real>-1.8182159861071263e-05</Real>
  18     <Real>-6.7883759693111072e-06</Real>
  19     <Real>6.7883758926473613e-06</Real>
  20     <Real>-4.5547116425681544e-14</Real>
  21     <Real>6.7883759521357456e-06</Real>
  22     <Real>-6.7883759527878661e-06</Real>
  23     <Real>-3.5538537690811625</Real>
  24     <Real>-2.0147107048387864</Real>
  25     <Real>-2.7052521678814814</Real>
  26     <Real>-1.0406813794780831</Real>
  27     <Real>-3.967066260592377</Real>
  28     <Real>-0.87907598448922164</Real>
  29     <Real>-1.6612940249811217</Real>
  30     <Real>-2.6184399315060456</Real>
  31     <Real>-1.2743003165853</Real>
  32     <Real>-0.86472575028406273</Real>
  33   </Sequence>
  34   <Sequence Name="Potential">
  35     <Int Name="Length">21</Int>
  36     <Real>5.3171052747656216</Real>
  37     <Real>5.3139634951471235</Real>
  38     <Real>5.3139852805648378</Real>
  39     <Real>5.3139597783455503</Real>
  40     <Real>5.313959928304433</Real>
  41     <Real>5.313959928304433</Real>
  42     <Real>5.3139598111771384</Real>
  43     <Real>5.3139598111771384</Real>
  44     <Real>5.3139597783455486</Real>
  45     <Real>5.3139598111771358</Real>
  46     <Real>5.3139598111771358</Real>
  47     <Real>5.8523574407739245</Real>
  48     <Real>5.9095177081415198</Real>
  49     <Real>5.5891055083437386</Real>
  50     <Real>5.5179043538034485</Real>
  51     <Real>5.6909400832286163</Real>
  52     <Real>5.5084236091309347</Real>
  53     <Real>5.4647638463620405</Real>
  54     <Real>5.4221743541770948</Real>
  55     <Real>5.4793615522962513</Real>
  56     <Real>5.4998305387193387</Real>
  57   </Sequence>
  58   <Sequence Name="PotentialJump">
  59     <Int Name="Length">21</Int>
  60     <Real>0</Real>
  61     <Real>0</Real>
  62     <Real>0</Real>
  63     <Real>0</Real>
  64     <Real>0</Real>
  65     <Real>0</Real>
  66     <Real>0</Real>
  67     <Real>0</Real>
  68     <Real>0</Real>
  69     <Real>0</Real>
  70     <Real>0.60502446654887443</Real>
  71     <Real>0</Real>
  72     <Real>0</Real>
  73     <Real>0</Real>
  74     <Real>0</Real>
  75     <Real>0</Real>
  76     <Real>0</Real>
  77     <Real>0</Real>
  78     <Real>0</Real>
  79     <Real>0</Real>
  80     <Real>0.9341648102384621</Real>
  81   </Sequence>
  82   <Sequence Name="PointBias">
  83     <Int Name="Length">21</Int>
  84     <Real>-2.7252571125147735</Real>
  85     <Real>-2.7406945936944584</Real>
  86     <Real>-2.8751558537650315</Real>
  87     <Real>-3.2406864635799923</Real>
  88     <Real>-3.5460149559446363</Real>
  89     <Real>-3.5687884755542481</Real>
  90     <Real>-3.4901303714495162</Real>
  91     <Real>-3.4970015262603629</Real>
  92     <Real>-3.4496621504416853</Real>
  93     <Real>-3.2125376886451629</Real>
  94     <Real>-2.9150586381399095</Real>
  95     <Real>-2.7962936950351533</Real>
  96     <Real>-2.8888307484050655</Real>
  97     <Real>-2.9753285114361296</Real>
  98     <Real>-2.8869539267116586</Real>
  99     <Real>-2.7654523327441969</Real>
 100     <Real>-2.7283623342197521</Real>
 101     <Real>-2.7247454958847035</Real>
 102     <Real>-2.7246193286548035</Real>
 103     <Real>-2.724617690452638</Real>
 104     <Real>-2.724617690452638</Real>
 105   </Sequence>
 106   <Sequence Name="PointLogPmfsum">
 107     <Int Name="Length">21</Int>
 108     <Real>3.7345175271931206</Real>
 109     <Real>3.7345175271931206</Real>
 110     <Real>3.7345175271931206</Real>
 111     <Real>3.7345175271931206</Real>
 112     <Real>4.3399332371624686</Real>
 113     <Real>4.1747174038020356</Real>
 114     <Real>4.1623670231442613</Real>
 115     <Real>4.0396595028897737</Real>
 116     <Real>4.1446557041188061</Real>
 117     <Real>3.9896509587172257</Real>
 118     <Real>3.7345175271931206</Real>
 119     <Real>3.7345175271931206</Real>
 120     <Real>3.7345175271931206</Real>
 121     <Real>3.9896509549207684</Real>
 122     <Real>3.7345175271931206</Real>
 123     <Real>3.7345175271931206</Real>
 124     <Real>3.7345175271931206</Real>
 125     <Real>3.7345175271931206</Real>
 126     <Real>3.7345175271931206</Real>
 127     <Real>3.7345175271931206</Real>
 128     <Real>3.7345175271931206</Real>
 129   </Sequence>
 130 </ReferenceData>