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Commit af5c8bb4 authored by Peter Eastman's avatar Peter Eastman
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Added data files that missed getting checked in

parent c6e315a6
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wrappers/python/simtk/openmm/app/data/tip3p.xml 0 → 100644
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<ForceField>
<AtomTypes>
<Type name="tip3p-O" class="OW" element="O" mass="15.99943"/>
<Type name="tip3p-H" class="HW" element="H" mass="1.007947"/>
</AtomTypes>
<Residues>
<Residue name="HOH">
<Atom name="O" type="tip3p-O"/>
<Atom name="H1" type="tip3p-H"/>
<Atom name="H2" type="tip3p-H"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
</Residue>
</Residues>
<HarmonicBondForce>
<Bond class1="OW" class2="HW" length="0.09572" k="462750.4"/>
</HarmonicBondForce>
<HarmonicAngleForce>
<Angle class1="HW" class2="OW" class3="HW" angle="1.82421813418" k="836.8"/>
</HarmonicAngleForce>
<NonbondedForce coulomb14scale="0.833333" lj14scale="0.5">
<Atom type="tip3p-O" charge="-0.834" sigma="0.31507524065751241" epsilon="0.635968"/>
<Atom type="tip3p-H" charge="0.417" sigma="1" epsilon="0"/>
</NonbondedForce>
</ForceField>
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