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ONA.xml
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ONA.xml
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<ForceField>
<!-- Shown below are example entries for force field parameters.
Please refer to the OpenMM .xml specs for more info:
http://docs.openmm.org/7.0.0/userguide/application.html#writing-the-xml-file-->
<AtomTypes>
<Type name="BBA" class="BB" element="_BBA" mass="1" def="[_BBA]"/>
<Type name="BBC" class="BB" element="_BBC" mass="1" def="[_BBC]"/>
<Type name="BBG" class="BB" element="_BBG" mass="1" def="[_BBG]"/>
<Type name="BBT" class="BB" element="_BBT" mass="1" def="[_BBT]"/>
<Type name="HBA" class="HB" element="_HBA" mass="0.15" def="[_HBA]"/>
<Type name="HBC" class="HB" element="_HBC" mass="0.15" def="[_HBC]"/>
<Type name="HBG" class="HB" element="_HBG" mass="0.15" def="[_HBG]"/>
<Type name="HBT" class="HB" element="_HBT" mass="0.15" def="[_HBT]"/>
</AtomTypes>
<HarmonicBondForce>
<!-- Note: units of k are in eps/sigma^2-->
<Bond class1="BB" class2="BB" length="0.084" k="836820.083682"/>
<Bond class1="BB" class2="HB" length="0.037" k="836820.083682"/>
</HarmonicBondForce>
<HarmonicAngleForce>
<!-- Note: units of k are in eps/rad^2-->
<Angle class1="BB" class2="BB" class3="BB" angle="3.1415926536" k="2510.39022621"/>
<Angle class1="HB" class2="BB" class3="BB" angle="1.57079632679" k="25103.9022621"/>
</HarmonicAngleForce>
<PeriodicTorsionForce>
<!-- Note, the units of k are in eps-->
<Proper type1="HBC" type2="BBC" type3="BBC" type4="HBC" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBC" type2="BBC" type3="BBT" type4="HBT" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBT" type2="BBT" type3="BBC" type4="HBC" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBT" type2="BBT" type3="BBT" type4="HBT" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBA" type2="BBA" type3="BBT" type4="HBT" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBT" type2="BBT" type3="BBA" type4="HBA" periodicity1="1" phase1="0" k1="12.5523"/>
<Proper type1="HBG" type2="BBG" type3="BBT" type4="HBT" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBT" type2="BBT" type3="BBG" type4="HBG" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBG" type2="BBG" type3="BBC" type4="HBC" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBC" type2="BBC" type3="BBG" type4="HBG" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBA" type2="BBA" type3="BBC" type4="HBC" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBC" type2="BBC" type3="BBA" type4="HBA" periodicity1="1" phase1="0" k1="25.1046"/>
<Proper type1="HBG" type2="BBG" type3="BBG" type4="HBG" periodicity1="1" phase1="0" k1="37.6569"/>
<Proper type1="HBA" type2="BBA" type3="BBA" type4="HBA" periodicity1="1" phase1="0" k1="37.6569"/>
<Proper type1="HBG" type2="BBG" type3="BBA" type4="HBA" periodicity1="1" phase1="0" k1="37.6569"/>
<Proper type1="HBA" type2="BBA" type3="BBG" type4="HBG" periodicity1="1" phase1="0" k1="37.6569"/>
</PeriodicTorsionForce>
</ForceField>