<ForceField>
 <AtomTypes>
  <Type name="Ru6_N2Cl4" class="Ru" element="Ru" mass="101.07"/>
  <Type name="Cl1_Ru1" class="Cl" element="Cl" mass="35.453"/>
  <Type name="H_C3_H1C1N1" class="H" element="H" mass="1.0079"/>
  <Type name="H_C3_H1C2" class="H" element="H" mass="1.0079"/>
  <Type name="N3_C1N1Ru1" class="N" element="N" mass="14.007"/>
  <Type name="C3_H1C1N1" class="C" element="C" mass="12.011"/>
  <Type name="C3_C3" class="C" element="C" mass="12.011"/>
  <Type name="C3_C2N1" class="C" element="C" mass="12.011"/>
  <Type name="N3_H1C1N1" class="N" element="N" mass="14.007"/>
  <Type name="H_N3_H1C1N1" class="H" element="H" mass="1.0079"/>
  <Type name="C3_H1C2" class="C" element="C" mass="12.011"/>
 </AtomTypes>
 <Residues>
  <Residue name="NKP1339">
    <Atom name="Ru_1" type="Ru6_N2Cl4"/>
    <Atom name="Cl_2" type="Cl1_Ru1"/>
    <Atom name="Cl_3" type="Cl1_Ru1"/>
    <Atom name="Cl_4" type="Cl1_Ru1"/>
    <Atom name="H_5" type="H_C3_H1C1N1"/>
    <Atom name="Cl_6" type="Cl1_Ru1"/>
    <Atom name="H_7" type="H_C3_H1C2"/>
    <Atom name="N_8" type="N3_C1N1Ru1"/>
    <Atom name="C_9" type="C3_H1C1N1"/>
    <Atom name="C_10" type="C3_C3"/>
    <Atom name="C_11" type="C3_C2N1"/>
    <Atom name="N_12" type="N3_H1C1N1"/>
    <Atom name="H_13" type="H_N3_H1C1N1"/>
    <Atom name="C_14" type="C3_H1C2"/>
    <Atom name="C_15" type="C3_H1C2"/>
    <Atom name="C_16" type="C3_H1C2"/>
    <Atom name="C_17" type="C3_H1C2"/>
    <Atom name="H_18" type="H_C3_H1C2"/>
    <Atom name="H_19" type="H_C3_H1C2"/>
    <Atom name="H_20" type="H_C3_H1C2"/>
    <Atom name="H_21" type="H_C3_H1C2"/>
    <Atom name="H_22" type="H_C3_H1C1N1"/>
    <Atom name="N_23" type="N3_C1N1Ru1"/>
    <Atom name="C_24" type="C3_H1C1N1"/>
    <Atom name="C_25" type="C3_C3"/>
    <Atom name="C_26" type="C3_C2N1"/>
    <Atom name="N_27" type="N3_H1C1N1"/>
    <Atom name="H_28" type="H_N3_H1C1N1"/>
    <Atom name="C_29" type="C3_H1C2"/>
    <Atom name="C_30" type="C3_H1C2"/>
    <Atom name="C_31" type="C3_H1C2"/>
    <Atom name="C_32" type="C3_H1C2"/>
    <Atom name="H_33" type="H_C3_H1C2"/>
    <Atom name="H_34" type="H_C3_H1C2"/>
    <Atom name="H_35" type="H_C3_H1C2"/>
    <Bond atomName1="Ru_1" atomName2="Cl_2"/>
    <Bond atomName1="Ru_1" atomName2="Cl_3"/>
    <Bond atomName1="Ru_1" atomName2="Cl_4"/>
    <Bond atomName1="Ru_1" atomName2="Cl_6"/>
    <Bond atomName1="Ru_1" atomName2="N_8"/>
    <Bond atomName1="Ru_1" atomName2="N_23"/>
    <Bond atomName1="N_8" atomName2="N_12"/>
    <Bond atomName1="N_8" atomName2="C_9"/>
    <Bond atomName1="C_9" atomName2="C_10"/>
    <Bond atomName1="C_10" atomName2="C_11"/>
    <Bond atomName1="C_11" atomName2="N_12"/>
    <Bond atomName1="C_11" atomName2="C_14"/>
    <Bond atomName1="C_14" atomName2="C_15"/>
    <Bond atomName1="C_15" atomName2="C_16"/>
    <Bond atomName1="C_16" atomName2="C_17"/>
    <Bond atomName1="C_17" atomName2="C_10"/>
    <Bond atomName1="C_9" atomName2="H_5"/>
    <Bond atomName1="N_12" atomName2="H_13"/>
    <Bond atomName1="C_14" atomName2="H_18"/>
    <Bond atomName1="C_15" atomName2="H_19"/>
    <Bond atomName1="C_16" atomName2="H_20"/>
    <Bond atomName1="C_17" atomName2="H_21"/>
    <Bond atomName1="N_23" atomName2="N_27"/>
    <Bond atomName1="N_23" atomName2="C_24"/>
    <Bond atomName1="C_24" atomName2="C_25"/>
    <Bond atomName1="C_25" atomName2="C_26"/>
    <Bond atomName1="C_26" atomName2="N_27"/>
    <Bond atomName1="C_26" atomName2="C_29"/>
    <Bond atomName1="C_29" atomName2="C_30"/>
    <Bond atomName1="C_30" atomName2="C_31"/>
    <Bond atomName1="C_31" atomName2="C_32"/>
    <Bond atomName1="C_32" atomName2="C_25"/>
    <Bond atomName1="C_24" atomName2="H_22"/>
    <Bond atomName1="N_27" atomName2="H_28"/>
    <Bond atomName1="C_29" atomName2="H_33"/>
    <Bond atomName1="C_30" atomName2="H_34"/>
    <Bond atomName1="C_31" atomName2="H_35"/>
    <Bond atomName1="C_32" atomName2="H_7"/>
  </Residue>
 </Residues>
 <HarmonicBondForce>
  <Bond type1="C3_C2N1" type2="C3_C3" length="0.14151246" k="247407.37"/>
  <Bond type1="C3_C2N1" type2="C3_H1C2" length="0.13963648" k="304092.85"/>
  <Bond type1="C3_C2N1" type2="N3_H1C1N1" length="0.1346582" k="317807.78"/>
  <Bond type1="C3_C3" type2="C3_H1C1N1" length="0.14156455" k="259221.99"/>
  <Bond type1="C3_C3" type2="C3_H1C2" length="0.13989229" k="303323.37"/>
  <Bond type1="C3_H1C1N1" type2="H_C3_H1C1N1" length="0.10779791" k="330715.95"/>
  <Bond type1="C3_H1C1N1" type2="N3_C1N1Ru1" length="0.13142783" k="381119.93"/>
  <Bond type1="C3_H1C2" type2="C3_H1C2" length="0.13871219" k="325133.46"/>
  <Bond type1="C3_H1C2" type2="H_C3_H1C2" length="0.10838847" k="312079.69"/>
  <Bond type1="Cl1_Ru1" type2="Ru6_N2Cl4" length="0.23601418" k="63898.401"/>
  <Bond type1="H_N3_H1C1N1" type2="N3_H1C1N1" length="0.10224024" k="368472.67"/>
  <Bond type1="N3_C1N1Ru1" type2="N3_H1C1N1" length="0.13378653" k="267639.46"/>
  <Bond type1="N3_C1N1Ru1" type2="Ru6_N2Cl4" length="0.20468953" k="54651.521"/>
 </HarmonicBondForce>
 <HarmonicAngleForce>
  <Angle type1="C3_C2N1" type2="C3_C3" type3="C3_H1C1N1" angle="1.8287128" k="402.51404"/>
  <Angle type1="C3_C2N1" type2="C3_C3" type3="C3_H1C2" angle="2.0853126" k="813.8134"/>
  <Angle type1="C3_C2N1" type2="C3_H1C2" type3="C3_H1C2" angle="2.043065" k="780.86178"/>
  <Angle type1="C3_C2N1" type2="C3_H1C2" type3="H_C3_H1C2" angle="2.1178203" k="382.36902"/>
  <Angle type1="C3_C2N1" type2="N3_H1C1N1" type3="H_N3_H1C1N1" angle="2.3308892" k="252.98537"/>
  <Angle type1="C3_C2N1" type2="N3_H1C1N1" type3="N3_C1N1Ru1" angle="1.9367348" k="476.61684"/>
  <Angle type1="C3_C3" type2="C3_C2N1" type3="C3_H1C2" angle="2.1296475" k="732.50147"/>
  <Angle type1="C3_C3" type2="C3_C2N1" type3="N3_H1C1N1" angle="1.8556363" k="56.583771"/>
  <Angle type1="C3_C3" type2="C3_H1C1N1" type3="H_C3_H1C1N1" angle="2.2991125" k="269.56396"/>
  <Angle type1="C3_C3" type2="C3_H1C1N1" type3="N3_C1N1Ru1" angle="1.9054341" k="361.62614"/>
  <Angle type1="C3_C3" type2="C3_H1C2" type3="C3_H1C2" angle="2.0691938" k="672.35248"/>
  <Angle type1="C3_C3" type2="C3_H1C2" type3="H_C3_H1C2" angle="2.1038192" k="383.68054"/>
  <Angle type1="C3_H1C1N1" type2="C3_C3" type3="C3_H1C2" angle="2.369155" k="504.23928"/>
  <Angle type1="C3_H1C1N1" type2="N3_C1N1Ru1" type3="N3_H1C1N1" angle="1.8982278" k="513.8886"/>
  <Angle type1="C3_H1C1N1" type2="N3_C1N1Ru1" type3="Ru6_N2Cl4" angle="2.3028885" k="362.73443"/>
  <Angle type1="C3_H1C2" type2="C3_C2N1" type3="N3_H1C1N1" angle="2.2978969" k="518.5269"/>
  <Angle type1="C3_H1C2" type2="C3_H1C2" type3="C3_H1C2" angle="2.1195751" k="653.20368"/>
  <Angle type1="C3_H1C2" type2="C3_H1C2" type3="H_C3_H1C2" angle="2.0932819" k="375.04594"/>
  <Angle type1="Cl1_Ru1" type2="Ru6_N2Cl4" type3="N3_C1N1Ru1" angle="1.5707507" k="171.37269"/>
  <Angle type1="H_C3_H1C1N1" type2="C3_H1C1N1" type3="N3_C1N1Ru1" angle="2.0786153" k="396.10344"/>
  <Angle type1="H_N3_H1C1N1" type2="N3_H1C1N1" type3="N3_C1N1Ru1" angle="2.0132023" k="480.39127"/>
  <Angle type1="N3_C1N1Ru1" type2="Ru6_N2Cl4" type3="N3_C1N1Ru1" angle="3.1312392" k="495.3982"/>
  <Angle type1="N3_H1C1N1" type2="N3_C1N1Ru1" type3="Ru6_N2Cl4" angle="2.0820317" k="366.03313"/>
 </HarmonicAngleForce>
 <CustomAngleForce energy="scale*(k*(1+cos(n*theta-phase))+lj_term);
   lj_term=lj_scale*4*epsilon*(r_six_term^2-r_six_term);
   r_six_term=(sigma/(2*Ru_Cl_dist*sin(theta/2)))^6">
  <GlobalParameter name="scale" defaultValue="1"/>
  <PerAngleParameter name="k"/>
  <PerAngleParameter name="n"/>
  <PerAngleParameter name="phase"/>
  <PerAngleParameter name="lj_scale"/>
  <PerAngleParameter name="sigma"/>
  <PerAngleParameter name="epsilon"/>
  <PerAngleParameter name="Ru_Cl_dist"/>
  <Angle type1="Cl1_Ru1" type2="Ru6_N2Cl4" type3="Cl1_Ru1" k="42.35559840" n="4" phase="3.14159265" lj_scale="0.01" sigma="0.37813348" epsilon="1.37545279" Ru_Cl_dist="0.23601418"/>
 </CustomAngleForce>
 <CustomTorsionForce energy="halfBarrierHeight*(1-cos(n*theta-phase))">
  <PerTorsionParameter name="halfBarrierHeight"/>
  <PerTorsionParameter name="n"/>
  <PerTorsionParameter name="phase"/>
  <Proper  type1="" type2="C3_C2N1" type3="C3_C3" type4="" n="2" phase="0" halfBarrierHeight="7.3851359"/>
  <Proper  type1="" type2="C3_C2N1" type3="C3_H1C2" type4="" n="2" phase="0" halfBarrierHeight="11.158461"/>
  <Proper  type1="" type2="C3_C2N1" type3="N3_H1C1N1" type4="" n="2" phase="0" halfBarrierHeight="3.2311027"/>
  <Proper  type1="" type2="C3_C3" type3="C3_H1C1N1" type4="" n="2" phase="0" halfBarrierHeight="4.7582083"/>
  <Proper  type1="" type2="C3_C3" type3="C3_H1C2" type4="" n="2" phase="0" halfBarrierHeight="12.851196"/>
  <Proper  type1="" type2="C3_H1C1N1" type3="N3_C1N1Ru1" type4="" n="2" phase="0" halfBarrierHeight="9.3183059"/>
  <Proper  type1="" type2="C3_H1C2" type3="C3_H1C2" type4="" n="2" phase="0" halfBarrierHeight="13.327357"/>
  <Proper  type1="" type2="N3_C1N1Ru1" type3="N3_H1C1N1" type4="" n="2" phase="0" halfBarrierHeight="0.80400876"/>
 </CustomTorsionForce>
 <CustomTorsionForce energy="k*(theta-phase)^2">
  <PerTorsionParameter name="k"/>
  <PerTorsionParameter name="phase"/>
  <Improper  type1="C3_C2N1" type2="C3_C3" type3="C3_H1C2" type4="N3_H1C1N1" k="209.2" phase="0"/>
  <Improper  type1="C3_C3" type2="C3_C2N1" type3="C3_H1C1N1" type4="C3_H1C2" k="209.2" phase="0"/>
  <Improper  type1="C3_H1C1N1" type2="C3_C3" type3="H_C3_H1C1N1" type4="N3_C1N1Ru1" k="209.2" phase="0"/>
  <Improper  type1="C3_H1C2" type2="C3_C2N1" type3="C3_H1C2" type4="H_C3_H1C2" k="209.2" phase="0"/>
  <Improper  type1="C3_H1C2" type2="C3_C3" type3="C3_H1C2" type4="H_C3_H1C2" k="209.2" phase="0"/>
  <Improper  type1="C3_H1C2" type2="C3_H1C2" type3="C3_H1C2" type4="H_C3_H1C2" k="209.2" phase="0"/>
  <Improper  type1="N3_C1N1Ru1" type2="C3_H1C1N1" type3="N3_H1C1N1" type4="Ru6_N2Cl4" k="209.2" phase="0"/>
  <Improper  type1="N3_H1C1N1" type2="C3_C2N1" type3="H_N3_H1C1N1" type4="N3_C1N1Ru1" k="209.2" phase="0"/>
 </CustomTorsionForce>
 <PeriodicTorsionForce>
  <Proper type1="Cl1_Ru1" type2="Ru6_N2Cl4" type3="N3_C1N1Ru1" type4="C3_H1C1N1" periodicity1="4" phase1="4.09347756" k1="4.99889370"/>
 </PeriodicTorsionForce>
 <NonbondedForce coulomb14scale="0.833333" lj14scale="0.5">
  <Atom type="Ru6_N2Cl4" charge="0.78596166" sigma="0.31215431" epsilon="14.17222878"/>
  <Atom type="Cl1_Ru1" charge="-0.41608498" sigma="0.37813348" epsilon="1.37545279"/>
  <Atom type="H_C3_H1C1N1" charge="0.12306568" sigma="0.28160602" epsilon="0.05393040"/>
  <Atom type="H_C3_H1C2" charge="0.090977126" sigma="0.28160602" epsilon="0.05397257"/>
  <Atom type="N3_C1N1Ru1" charge="-0.30540228" sigma="0.34351187" epsilon="0.20295997"/>
  <Atom type="C3_H1C1N1" charge="0.057841387" sigma="0.35240416" epsilon="0.35674359"/>
  <Atom type="C3_C3" charge="-0.015830265" sigma="0.35211261" epsilon="0.36212154"/>
  <Atom type="C3_C2N1" charge="0.12286546" sigma="0.35284149" epsilon="0.34999436"/>
  <Atom type="N3_H1C1N1" charge="-0.30486555" sigma="0.34351187" epsilon="0.20280458"/>
  <Atom type="H_N3_H1C1N1" charge="0.31900879" sigma="0.28175180" epsilon="0.05353935"/>
  <Atom type="C3_H1C2" charge="-0.10535065" sigma="0.35038760" epsilon="0.39471293"/>
 </NonbondedForce>
</ForceField>
