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<ForceField> | |
<AtomTypes> | |
<Type name="OW" class="OW" element="O" mass="15.99943"/> | |
<Type name="HW" class="HW" element="H" mass="1.007947"/> | |
</AtomTypes> | |
<Residues> | |
<Residue name="HOH"> | |
<Atom name="O" type="OW"/> | |
<Atom name="H1" type="HW"/> | |
<Atom name="H2" type="HW"/> | |
<Bond from="0" to="1"/> | |
<Bond from="0" to="2"/> | |
</Residue> | |
</Residues> | |
<HarmonicBondForce> | |
<Bond class1="OW" class2="HW" length="0.101181082494" k="462750.4"/> | |
</HarmonicBondForce> | |
<HarmonicAngleForce> | |
<Angle class1="HW" class2="OW" class3="HW" angle="1.88754640288" k="836.8"/> | |
</HarmonicAngleForce> | |
<NonbondedForce coulomb14scale="0.833333" lj14scale="0.5" method="buckingham"> | |
<Atom | |
type="OW" | |
charge="-8.531254509373e-01" | |
sigma="0.317796456355" | |
epsilon="0.652143528104" | |
c6="0.0026399910" | |
c8="0.0001937841" | |
c10="0.0" | |
c12="4.696188795608e-06" | |
parameterize="c12" | |
/> | |
<Atom | |
type="HW" | |
charge="4.265627254686e-01" | |
sigma="1" | |
epsilon="0" | |
c6="0" | |
c8="0" | |
c10="0" | |
c12="0" | |
/> | |
</NonbondedForce> | |
</ForceField> |
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