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Commit 37f66576 authored by M.D. Driver's avatar M.D. Driver
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added example solvation energy file.

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solventmapcreator/test/resources/energyvaluestest.xml 0 → 100644
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<?xml version='1.0' encoding='UTF-8'?>
<phase:EnergyValues xmlns:phase="http://www-hunter.ch.cam.ac.uk/PhaseSchema">
<phase:FreeEnergyCollection><phase:FreeEnergy phase:stdInChIKey="-14.100solute" phase:fromSolventID="" phase:toSolventID="water" phase:valueType="MOLEFRACTION">
<phase:TotalEnergy>-34.8195308084233</phase:TotalEnergy>
<phase:EnergyContribution phase:ssipID1="1">-34.8195308084233</phase:EnergyContribution>
</phase:FreeEnergy>
</phase:FreeEnergyCollection>
</phase:EnergyValues>
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