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@rmatsum836
Created March 2, 2020 22:40
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<ForceField>
<AtomTypes>
<Type name="CH3" class="CT" element="C" mass="12.01100" def="[C;X4](C)(H)(H)H" desc="alkane CH3" doi="10.1021/ja9621760"/>
<Type name="CH2" class="CT" element="C" mass="12.01100" def="[C;X4](C)(C)(H)H" desc="alkane CH2" doi="10.1021/ja9621760"/>
<Type name="CH" class="CT" element="C" mass="12.01100" def="[C;X4](C)(C)(C)H" desc="alkane CH" doi="10.1021/ja9621760"/>
<Type name="CH4" class="CT" element="C" mass="12.01100" def="[C;X4](H)(H)(H)H" desc="alkane CH4" doi="10.1021/ja9621760"/>
<Type name="C" class="CT" element="C" mass="12.01100" def="[C;X4](C)(C)(C)C" desc="alkane C" doi="10.1021/ja9621760"/>
<Type name="HC" class="HC" element="H" mass="1.00800" def="H[C;X4]" desc="alkane H" doi="10.1021/ja9621760"/>
</AtomTypes>
<HarmonicBondForce>
<Bond class1="CT" class2="CT" length="0.1529" k="224262.4"/>
<Bond class1="CT" class2="HC" length="0.109" k="284512.0"/>
</HarmonicBondForce>
<HarmonicAngleForce>
<Angle class1="CT" class2="CT" class3="HC" angle="1.91113553093" k="292.88"/>
<Angle class1="C*" class2="CT" class3="HC" angle="1.91113553093" k="292.88"/>
<Angle class1="CT" class2="CT" class3="CT" angle="1.966986067" k="488.273"/>
<Angle class1="HC" class2="CT" class3="HC" angle="1.88146493365" k="276.144"/>
</HarmonicAngleForce>
<PeriodicTorsionForce>
<Proper class1="CT" class2="CT" class3="CT" class4="HC" periodicity1="3" phase1="0" k1="0.6276"/>
<Proper class1="HC" class2="CT" class3="CT" class4="HC" periodicity1="3" phase1="0" k1="0.6276"/>
<Proper class1="CT" class2="CT" class3="CT" class4="CT" periodicity1="1" phase1="0" k1="3.64"
periodicity2="2" phase2="3.14159265359" k2="0.328"
periodicity3="3" phase3="0" k3="0.584"/>
</PeriodicTorsionForce>
<NonbondedForce coulomb14scale="0.5" lj14scale="0.5">
<Atom type="CH3" charge="-0.18" sigma="0.35" epsilon="0.276144"/>
<Atom type="CH2" charge="-0.12" sigma="0.35" epsilon="0.276144"/>
<Atom type="CH" charge="-0.06" sigma="0.35" epsilon="0.276144"/>
<Atom type="CH4" charge="-0.24" sigma="0.35" epsilon="0.276144"/>
<Atom type="C" charge="0.0" sigma="0.35" epsilon="0.276144"/>
<Atom type="HC" charge="0.06" sigma="0.25" epsilon="0.12552"/>
</NonbondedForce>
</ForceField>
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