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Oct 17th, 2017
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  1. <ForceField>
  2. <AtomTypes>
  3. <Type name="tip4pew-O" class="OW" element="O" mass="15.99943"/>
  4. <Type name="tip4pew-H" class="HW" element="H" mass="1.007947"/>
  5. <Type name="tip4pew-M" class="MW" mass="0"/>
  6. </AtomTypes>
  7. <Residues>
  8. <Residue name="HOH">
  9. <Atom name="O" type="tip4pew-O"/>
  10. <Atom name="H1" type="tip4pew-H"/>
  11. <Atom name="H2" type="tip4pew-H"/>
  12. <Atom name="M" type="tip4pew-M"/>
  13. <VirtualSite type="average3" siteName="M" atomName1="O" atomName2="H1" atomName3="H2" weight1="0.786646558" weight2="0.106676721" weight3="0.106676721"/>
  14. <Bond atomName1="O" atomName2="H1"/>
  15. <Bond atomName1="O" atomName2="H2"/>
  16. </Residue>
  17. </Residues>
  18. <HarmonicBondForce>
  19. <Bond class1="OW" class2="HW" length="0.09572" k="462750.4"/>
  20. </HarmonicBondForce>
  21. <HarmonicAngleForce>
  22. <Angle class1="HW" class2="OW" class3="HW" angle="1.82421813418" k="836.8"/>
  23. </HarmonicAngleForce>
  24. <NonbondedForce coulomb14scale="0.5" lj14scale="0.5">
  25. <Atom type="tip4pew-O" charge="0" sigma="0.316435" epsilon="0.680946"/>
  26. <Atom type="tip4pew-H" charge="0.52422" sigma="1" epsilon="0"/>
  27. <Atom type="tip4pew-M" charge="-1.04844" sigma="1" epsilon="0"/>
  28. </NonbondedForce>
  29. </ForceField>
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