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eingabe-membrane.xml
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eingabe-membrane.xml
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<?xml version="1.0"?>
<molsimdata xmlns="http://www.example.org/input" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.example.org/input molsim-input.xsd">
<outputbasename>output/MD_vtk</outputbasename>
<writefreq>100</writefreq>
<timestep>0.01</timestep>
<endtime>500</endtime>
<gravity>-0.001</gravity>
<domain>
<size x="148" y="148" z="148"/>
<cutoff>4.0</cutoff>
<boundaries>
<front>reflecting</front>
<back>reflecting</back>
<left>reflecting</left>
<right>reflecting</right>
<top>reflecting</top>
<bottom>reflecting</bottom>
</boundaries>
<membrane>
<stiffnessConstant>300.0</stiffnessConstant>
<harmonicR0>2.2</harmonicR0>
<constForceUpwards>0.8</constForceUpwards>
</membrane>
</domain>
<thermostat>
<inittemp>40.0</inittemp>
<starttime>0</starttime>
<targettemp>40.0</targettemp>
<tempdiff>0.0</tempdiff>
<interval>50000</interval>
</thermostat>
<objectlist>
<cuboid>
<location x="15.0" y="15.0" z="1.5"/>
<velocity x="0.0" y="0.0" z="0.0"/>
<numparticles x="50" y="50" z="1"/>
<mass>1.0</mass>
<type>0</type>
<meshwidth>2.2</meshwidth>
</cuboid>
</objectlist>
<particleTypes>
<type id="0" sigma="1.0" epsilon="1.0" />
</particleTypes>
</molsimdata>