<ForceField>
  <Info>
    <DateGenerated>2019-11-30</DateGenerated>
    <Source Source="toppar/non_charmm/toppar_water_ions_spc_e.str" md5hash="7a0187836503ba10b8f8207f06f51075" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_aug15.tgz">toppar/non_charmm/toppar_water_ions_spc_e.str</Source>
    <Reference Reference="H.J.C. Berendsen, J. R. Grigera, and T. P. Straatsma. The Missing Term in Effective Pair Potentials. J. Phys. Chem 91:6269-6271, 1987." forcefield="spc-e">H.J.C. Berendsen, J. R. Grigera, and T. P. Straatsma. The Missing Term in Effective Pair Potentials. J. Phys. Chem 91:6269-6271, 1987.</Reference>
    <Reference Reference="Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063" forcefield="ions">Beglov, D. and Roux, B., Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations, Journal of Chemical Physics, 1994, 100: 9050-9063</Reference>
    <Reference Reference="['Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)']" forcefield="ions" type="zinc">['Stote, R.H. and Karplus, M. Zinc Binding in Proteins and Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: Structure, Function, and Genetics 23:12-31 (1995)']</Reference>
  </Info>
  <AtomTypes>
    <Type element="H" name="HT" class="HT" mass="1.008"/>
    <Type element="H" name="HX" class="HX" mass="1.008"/>
    <Type element="O" name="OT" class="OT" mass="15.9994"/>
    <Type element="O" name="OX" class="OX" mass="15.9994"/>
    <Type element="Li" name="LIT" class="LIT" mass="6.941"/>
    <Type element="Na" name="SOD" class="SOD" mass="22.98977"/>
    <Type element="Mg" name="MG" class="MG" mass="24.305"/>
    <Type element="K" name="POT" class="POT" mass="39.0983"/>
    <Type element="Ca" name="CAL" class="CAL" mass="40.08"/>
    <Type element="Rb" name="RUB" class="RUB" mass="85.4678"/>
    <Type element="Cs" name="CES" class="CES" mass="132.90545"/>
    <Type element="Ba" name="BAR" class="BAR" mass="137.327"/>
    <Type element="Zn" name="ZN" class="ZN" mass="65.37"/>
    <Type element="Cd" name="CAD" class="CAD" mass="112.411"/>
    <Type element="Cl" name="CLA" class="CLA" mass="35.45"/>
  </AtomTypes>
  <Residues>
    <Residue name="SPCE">
      <Atom name="OH2" type="OT" charge="-0.8476"/>
      <Atom name="H1" type="HT" charge="0.4238"/>
      <Atom name="H2" type="HT" charge="0.4238"/>
      <Bond atomName1="OH2" atomName2="H1"/>
      <Bond atomName1="OH2" atomName2="H2"/>
    </Residue>
    <Residue name="OH">
      <Atom name="O1" type="OX" charge="-1.32"/>
      <Atom name="H1" type="HX" charge="0.32"/>
      <Bond atomName1="O1" atomName2="H1"/>
    </Residue>
    <Residue name="LIT">
      <Atom name="LIT" type="LIT" charge="1.0"/>
    </Residue>
    <Residue name="SOD">
      <Atom name="SOD" type="SOD" charge="1.0"/>
    </Residue>
    <Residue name="MG">
      <Atom name="MG" type="MG" charge="2.0"/>
    </Residue>
    <Residue name="POT">
      <Atom name="POT" type="POT" charge="1.0"/>
    </Residue>
    <Residue name="CAL">
      <Atom name="CAL" type="CAL" charge="2.0"/>
    </Residue>
    <Residue name="RUB">
      <Atom name="RUB" type="RUB" charge="1.0"/>
    </Residue>
    <Residue name="CES">
      <Atom name="CES" type="CES" charge="1.0"/>
    </Residue>
    <Residue name="BAR">
      <Atom name="BAR" type="BAR" charge="2.0"/>
    </Residue>
    <Residue name="ZN2">
      <Atom name="ZN" type="ZN" charge="2.0"/>
    </Residue>
    <Residue name="CD2">
      <Atom name="CD" type="CAD" charge="2.0"/>
    </Residue>
    <Residue name="CLA">
      <Atom name="CLA" type="CLA" charge="-1.0"/>
    </Residue>
  </Residues>
  <HarmonicBondForce>
    <Bond type1="HT" type2="HT" length="0.1633" k="0.0"/>
    <Bond type1="HT" type2="OT" length="0.1" k="376559.99999999994"/>
    <Bond type1="OX" type2="HX" length="0.097" k="456055.99999999994"/>
  </HarmonicBondForce>
  <HarmonicAngleForce>
    <Angle type1="HT" type2="OT" type3="HT" angle="1.9106119321581925" k="460.24"/>
  </HarmonicAngleForce>
  <!--Urey-Bradley terms-->
  <AmoebaUreyBradleyForce/>
  <NonbondedForce coulomb14scale="1.0" lj14scale="1.0">
    <UseAttributeFromResidue name="charge"/>
    <Atom type="HT" sigma="1.0" epsilon="0.0"/>
    <Atom type="HX" sigma="1.0" epsilon="0.0"/>
    <Atom type="OT" sigma="1.0" epsilon="0.0"/>
    <Atom type="OX" sigma="1.0" epsilon="0.0"/>
    <Atom type="LIT" sigma="1.0" epsilon="0.0"/>
    <Atom type="SOD" sigma="1.0" epsilon="0.0"/>
    <Atom type="MG" sigma="1.0" epsilon="0.0"/>
    <Atom type="POT" sigma="1.0" epsilon="0.0"/>
    <Atom type="CAL" sigma="1.0" epsilon="0.0"/>
    <Atom type="RUB" sigma="1.0" epsilon="0.0"/>
    <Atom type="CES" sigma="1.0" epsilon="0.0"/>
    <Atom type="BAR" sigma="1.0" epsilon="0.0"/>
    <Atom type="ZN" sigma="1.0" epsilon="0.0"/>
    <Atom type="CAD" sigma="1.0" epsilon="0.0"/>
    <Atom type="CLA" sigma="1.0" epsilon="0.0"/>
  </NonbondedForce>
  <LennardJonesForce lj14scale="1.0">
    <Atom type="HT" sigma="1.7817974362806786e-05" epsilon="4.184e-06"/>
    <Atom type="HX" sigma="0.04000135244450124" epsilon="0.192464"/>
    <Atom type="OT" sigma="0.31410006292063597" epsilon="0.64973336"/>
    <Atom type="OX" sigma="0.30290556416771536" epsilon="0.50208"/>
    <Atom type="LIT" sigma="0.23118821735741807" epsilon="0.00974872"/>
    <Atom type="SOD" sigma="0.2513670733232967" epsilon="0.1962296"/>
    <Atom type="MG" sigma="0.2111429961992604" epsilon="0.06276"/>
    <Atom type="POT" sigma="0.3142645228240047" epsilon="0.364008"/>
    <Atom type="CAL" sigma="0.24357170953956878" epsilon="0.50208"/>
    <Atom type="RUB" sigma="0.3385415128933289" epsilon="0.6276"/>
    <Atom type="CES" sigma="0.37417746161894255" epsilon="0.79496"/>
    <Atom type="BAR" sigma="0.33675971545704825" epsilon="0.6276"/>
    <Atom type="ZN" sigma="0.194215920554594" epsilon="1.046"/>
    <Atom type="CAD" sigma="0.2417899121032881" epsilon="0.50208"/>
    <Atom type="CLA" sigma="0.4044680180357141" epsilon="0.6276"/>
    <NBFixPair type1="CLA" type2="SOD" sigma="0.3323943117381606" epsilon="0.35093300000000005"/>
    <NBFixPair type1="CLA" type2="POT" sigma="0.3635757668730725" epsilon="0.477963424"/>
    <NBFixPair type1="OC" type2="SOD" sigma="0.28419669108676826" epsilon="0.31388368000000005"/>
    <NBFixPair type1="OCL" type2="SOD" sigma="0.28419669108676826" epsilon="0.31388368000000005"/>
    <NBFixPair type1="OC2D2" type2="SOD" sigma="0.28419669108676826" epsilon="0.31388368000000005"/>
    <NBFixPair type1="OG2D2" type2="SOD" sigma="0.28419669108676826" epsilon="0.31388368000000005"/>
  </LennardJonesForce>
</ForceField>
