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openmmforcefields/amber/ffxml/ffAM1.xml
John Chodera fe144eaba0 Update all Amber force fields to AmberTools 20.15
2021-01-26 16:31:47 -05:00

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<ForceField>
<Info>
<DateGenerated>2021-01-26</DateGenerated>
<Source Source="leaprc.ffAM1" md5hash="3d2654779aebf2cfe384ddf61c88be9e" sourcePackage="AmberTools" sourcePackageVersion="20.15">leaprc.ffAM1</Source>
<Reference>Wollacott, A.M., and Merz, K.M. (2006). Development of a Parametrized Force Field To Reproduce Semiempirical Geometries. J. Chem. Theory Comput. 2, 1070-1077.</Reference>
</Info>
<AtomTypes>
<Type element="C" name="C" class="C" mass="12.01"/>
<Type element="C" name="CA" class="CA" mass="12.01"/>
<Type element="C" name="CB" class="CB" mass="12.01"/>
<Type element="C" name="CC" class="CC" mass="12.01"/>
<Type element="C" name="CK" class="CK" mass="12.01"/>
<Type element="C" name="CM" class="CM" mass="12.01"/>
<Type element="C" name="CN" class="CN" mass="12.01"/>
<Type element="C" name="CQ" class="CQ" mass="12.01"/>
<Type element="C" name="CR" class="CR" mass="12.01"/>
<Type element="C" name="CT" class="CT" mass="12.01"/>
<Type element="C" name="CV" class="CV" mass="12.01"/>
<Type element="C" name="CW" class="CW" mass="12.01"/>
<Type element="C" name="C*" class="C*" mass="12.01"/>
<Type element="H" name="H" class="H" mass="1.008"/>
<Type element="H" name="HC" class="HC" mass="1.008"/>
<Type element="H" name="H1" class="H1" mass="1.008"/>
<Type element="H" name="H2" class="H2" mass="1.008"/>
<Type element="H" name="HA" class="HA" mass="1.008"/>
<Type element="H" name="H4" class="H4" mass="1.008"/>
<Type element="H" name="H5" class="H5" mass="1.008"/>
<Type element="H" name="HO" class="HO" mass="1.008"/>
<Type element="H" name="HS" class="HS" mass="1.008"/>
<Type element="H" name="HP" class="HP" mass="1.008"/>
<Type element="N" name="N" class="N" mass="14.01"/>
<Type element="N" name="NA" class="NA" mass="14.01"/>
<Type element="N" name="NB" class="NB" mass="14.01"/>
<Type element="N" name="NC" class="NC" mass="14.01"/>
<Type element="N" name="N2" class="N2" mass="14.01"/>
<Type element="N" name="N3" class="N3" mass="14.01"/>
<Type element="N" name="N*" class="N*" mass="14.01"/>
<Type element="O" name="O" class="O" mass="16.0"/>
<Type element="O" name="OH" class="OH" mass="16.0"/>
<Type element="O" name="OS" class="OS" mass="16.0"/>
<Type element="O" name="O2" class="O2" mass="16.0"/>
<Type element="P" name="P" class="P" mass="30.97"/>
<Type element="S" name="S" class="S" mass="32.06"/>
<Type element="S" name="SH" class="SH" mass="32.06"/>
</AtomTypes>
<Residues>
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</Residue>
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</Residue>
<Residue name="RCN">
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</Residue>
<Residue name="NGLN">
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</Residue>
<Residue name="NGLU">
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</Residue>
<Residue name="NGLY">
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</Residue>
<Residue name="NHID">
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<ExternalBond atomName="C"/>
</Residue>
<Residue name="NHIE">
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</Residue>
<Residue name="NHIP">
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</Residue>
<Residue name="NILE">
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</Residue>
<Residue name="NLEU">
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</Residue>
<Residue name="NLYS">
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</Residue>
<Residue name="NMET">
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</Residue>
<Residue name="NPHE">
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<Bond atomName1="N" atomName2="H1"/>
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<Proper type1="" type2="CC" type3="CW" type4="" periodicity1="2" phase1="3.141592653589793" k1="22.489"/>
<Proper type1="" type2="CC" type3="NA" type4="" periodicity1="2" phase1="3.141592653589793" k1="5.8576"/>
<Proper type1="" type2="CC" type3="NB" type4="" periodicity1="2" phase1="3.141592653589793" k1="10.0416"/>
<Proper type1="" type2="CN" type3="NA" type4="" periodicity1="2" phase1="3.141592653589793" k1="6.3806"/>
<Proper type1="" type2="CR" type3="NA" type4="" periodicity1="2" phase1="3.141592653589793" k1="9.727800000000002"/>
<Proper type1="" type2="CR" type3="NB" type4="" periodicity1="2" phase1="3.141592653589793" k1="20.92"/>
<Proper type1="" type2="CV" type3="NB" type4="" periodicity1="2" phase1="3.141592653589793" k1="10.0416"/>
<Proper type1="" type2="CW" type3="NA" type4="" periodicity1="2" phase1="3.141592653589793" k1="6.276"/>
<Proper type1="CT" type2="CT" type3="OS" type4="CT" periodicity1="3" phase1="0.0" k1="1.6024720000000001" periodicity2="2" phase2="3.141592653589793" k2="0.41840000000000005"/>
<Proper type1="C" type2="N" type3="CT" type4="C" periodicity1="2" phase1="3.141592653589793" k1="0.8368000000000001"/>
<Proper type1="N" type2="CT" type3="C" type4="N" periodicity1="4" phase1="3.141592653589793" k1="1.6736000000000002" periodicity2="2" phase2="3.141592653589793" k2="5.6484000000000005" periodicity3="1" phase3="3.141592653589793" k3="3.138"/>
<Proper type1="CT" type2="CT" type3="N" type4="C" periodicity1="4" phase1="3.141592653589793" k1="2.092" periodicity2="3" phase2="3.141592653589793" k2="0.6276" periodicity3="1" phase3="0.0" k3="2.2175200000000004"/>
<Proper type1="CT" type2="CT" type3="C" type4="N" periodicity1="4" phase1="0.0" k1="0.41840000000000005" periodicity2="2" phase2="0.0" k2="0.29288000000000003"/>
<Proper type1="H" type2="N" type3="C" type4="O" periodicity1="2" phase1="3.141592653589793" k1="10.46" periodicity2="1" phase2="0.0" k2="8.368"/>
<Proper type1="CT" type2="S" type3="S" type4="CT" periodicity1="2" phase1="0.0" k1="14.644" periodicity2="3" phase2="0.0" k2="2.5104"/>
<Proper type1="OS" type2="CT" type3="CT" type4="OS" periodicity1="3" phase1="0.0" k1="0.602496" periodicity2="2" phase2="0.0" k2="4.184"/>
<Proper type1="OS" type2="CT" type3="CT" type4="OH" periodicity1="3" phase1="0.0" k1="0.602496" periodicity2="2" phase2="0.0" k2="4.184"/>
<Proper type1="OH" type2="CT" type3="CT" type4="OH" periodicity1="3" phase1="0.0" k1="0.602496" periodicity2="2" phase2="0.0" k2="4.184"/>
<Proper type1="OH" type2="P" type3="OS" type4="CT" periodicity1="3" phase1="0.0" k1="1.046" periodicity2="2" phase2="0.0" k2="5.0208"/>
<Proper type1="OS" type2="P" type3="OS" type4="CT" periodicity1="3" phase1="0.0" k1="1.046" periodicity2="2" phase2="0.0" k2="5.0208"/>
<Proper type1="OS" type2="CT" type3="N*" type4="CK" periodicity1="2" phase1="3.141592653589793" k1="2.092" periodicity2="1" phase2="0.0" k2="10.46"/>
<Proper type1="OS" type2="CT" type3="N*" type4="CM" periodicity1="2" phase1="3.141592653589793" k1="2.092" periodicity2="1" phase2="0.0" k2="10.46"/>
<Improper type1="C" type2="" type3="" type4="O" periodicity1="2" phase1="3.141592653589793" k1="43.932"/>
<Improper type1="C" type2="" type3="O2" type4="O2" periodicity1="2" phase1="3.141592653589793" k1="43.932"/>
<Improper type1="N" type2="" type3="" type4="H" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="N2" type2="" type3="" type4="H" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="NA" type2="" type3="" type4="H" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="CA" type2="" type3="N2" type4="N2" periodicity1="2" phase1="3.141592653589793" k1="43.932"/>
<Improper type1="N" type2="" type3="CT" type4="CT" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="CA" type2="" type3="" type4="HA" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CW" type2="" type3="" type4="H4" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CR" type2="" type3="" type4="H5" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CV" type2="" type3="" type4="H4" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CQ" type2="" type3="" type4="H5" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CK" type2="" type3="" type4="H5" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CM" type2="" type3="" type4="H4" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CM" type2="" type3="" type4="HA" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="" type3="" type4="H4" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="" type3="" type4="H5" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="N*" type2="CB" type3="CK" type4="CT" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="N*" type2="C" type3="CM" type4="CT" periodicity1="2" phase1="3.141592653589793" k1="4.184"/>
<Improper type1="CM" type2="C" type3="CM" type4="CT" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="C" type2="CT" type3="O" type4="OH" periodicity1="2" phase1="3.141592653589793" k1="43.932"/>
<Improper type1="CC" type2="CT" type3="CV" type4="NA" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CC" type2="CT" type3="CW" type4="NB" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CC" type2="CT" type3="CW" type4="NA" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="C*" type2="CB" type3="CT" type4="CW" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="CA" type3="CA" type4="CT" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="CM" type3="N2" type4="NC" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="CB" type3="N2" type4="NC" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="CA" type2="N2" type3="NA" type4="NC" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
<Improper type1="C" type2="CA" type3="CA" type4="OH" periodicity1="2" phase1="3.141592653589793" k1="4.6024"/>
</PeriodicTorsionForce>
<NonbondedForce coulomb14scale="0.8333333333333334" lj14scale="0.5">
<UseAttributeFromResidue name="charge"/>
<Atom type="C" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CA" sigma="0.33962840932946015" epsilon="0.359824"/>
<Atom type="CB" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CC" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CK" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CM" sigma="0.3404658541245121" epsilon="0.359824"/>
<Atom type="CN" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CQ" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CR" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CT" sigma="0.3446708960741345" epsilon="0.4577296"/>
<Atom type="CV" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="CW" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="C*" sigma="0.3408043956374054" epsilon="0.359824"/>
<Atom type="H" sigma="0.1086718256387586" epsilon="0.06568879999999999"/>
<Atom type="HC" sigma="0.25957225051736926" epsilon="0.06568879999999999"/>
<Atom type="H1" sigma="0.24260953892397719" epsilon="0.06568879999999999"/>
<Atom type="H2" sigma="0.22960241763912825" epsilon="0.06568879999999999"/>
<Atom type="HA" sigma="0.259500978619918" epsilon="0.06276"/>
<Atom type="H4" sigma="0.25084144307959394" epsilon="0.06276"/>
<Atom type="H5" sigma="0.24150482451348318" epsilon="0.06276"/>
<Atom type="HO" sigma="1.0" epsilon="0.0"/>
<Atom type="HS" sigma="0.10683657427938949" epsilon="0.06568879999999999"/>
<Atom type="HP" sigma="0.19441191827258486" epsilon="0.06568879999999999"/>
<Atom type="N" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="NA" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="NB" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="NC" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="N2" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="N3" sigma="0.32423367947999515" epsilon="0.7112800000000001"/>
<Atom type="N*" sigma="0.3229686033002358" epsilon="0.7112800000000001"/>
<Atom type="O" sigma="0.29053988995992747" epsilon="0.87864"/>
<Atom type="OH" sigma="0.30568516816831326" epsilon="0.8803136"/>
<Atom type="OS" sigma="0.30101685888525787" epsilon="0.7112800000000001"/>
<Atom type="O2" sigma="0.29497656557626634" epsilon="0.87864"/>
<Atom type="P" sigma="0.37417746161894255" epsilon="0.8368000000000001"/>
<Atom type="S" sigma="0.35496968525583683" epsilon="1.046"/>
<Atom type="SH" sigma="0.35570022220471187" epsilon="1.046"/>
</NonbondedForce>
</ForceField>
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