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Commit 5e9ce688 authored by John Chodera's avatar John Chodera
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Remove requested lines of ffxml

parent 4f48402f
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wrappers/python/tests/TestForceField.py
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...@@ -921,23 +921,6 @@ class TestForceField(unittest.TestCase): ...@@ -921,23 +921,6 @@ class TestForceField(unittest.TestCase):
<Type name="[H]C(=O)[H]$H1#2" element="H" mass="1.007947" class="[H]C(=O)[H]$H1#2"/> <Type name="[H]C(=O)[H]$H1#2" element="H" mass="1.007947" class="[H]C(=O)[H]$H1#2"/>
<Type name="[H]C(=O)[H]$H2#3" element="H" mass="1.007947" class="[H]C(=O)[H]$H2#3"/> <Type name="[H]C(=O)[H]$H2#3" element="H" mass="1.007947" class="[H]C(=O)[H]$H2#3"/>
</AtomTypes> </AtomTypes>
<NonbondedForce coulomb14scale="0.833333" lj14scale="0.5">
<UseAttributeFromResidue name="charge"/>
<Atom sigma="0.3399669508423535" epsilon="0.359824" class="[H]C(=O)[H]$C1#0"/>
<Atom sigma="0.2959921901149463" epsilon="0.87864" class="[H]C(=O)[H]$O1#1"/>
<Atom sigma="0.2510552587719476" epsilon="0.06276" class="[H]C(=O)[H]$H1#2"/>
<Atom sigma="0.2510552587719476" epsilon="0.06276" class="[H]C(=O)[H]$H2#3"/>
</NonbondedForce>
<HarmonicBondForce>
<Bond class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$O1#1" length="0.122768286085" k="475133.08130977117"/>
<Bond class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$H1#2" length="0.10850661293899999" k="338125.5447433327"/>
<Bond class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$H2#3" length="0.10850661293899999" k="338125.5447433327"/>
</HarmonicBondForce>
<HarmonicAngleForce>
<Angle class1="[H]C(=O)[H]$O1#1" class2="[H]C(=O)[H]$C1#0" class3="[H]C(=O)[H]$H1#2" angle="2.4141195890059883" k="279.7597371776727"/>
<Angle class1="[H]C(=O)[H]$O1#1" class2="[H]C(=O)[H]$C1#0" class3="[H]C(=O)[H]$H2#3" angle="2.4141195890059883" k="279.7597371776727"/>
<Angle class1="[H]C(=O)[H]$H1#2" class2="[H]C(=O)[H]$C1#0" class3="[H]C(=O)[H]$H2#3" angle="2.2670423843424943" k="330.7820750751862"/>
</HarmonicAngleForce>
<PeriodicTorsionForce ordering="smirnoff"> <PeriodicTorsionForce ordering="smirnoff">
<Improper class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$O1#1" class3="[H]C(=O)[H]$H1#2" class4="[H]C(=O)[H]$H2#3" periodicity1="2" phase1="3.141592653589793" k1="1.5341333333333336"/> <Improper class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$O1#1" class3="[H]C(=O)[H]$H1#2" class4="[H]C(=O)[H]$H2#3" periodicity1="2" phase1="3.141592653589793" k1="1.5341333333333336"/>
<Improper class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$H1#2" class3="[H]C(=O)[H]$H2#3" class4="[H]C(=O)[H]$O1#1" periodicity1="2" phase1="3.141592653589793" k1="1.5341333333333336"/> <Improper class1="[H]C(=O)[H]$C1#0" class2="[H]C(=O)[H]$H1#2" class3="[H]C(=O)[H]$H2#3" class4="[H]C(=O)[H]$O1#1" periodicity1="2" phase1="3.141592653589793" k1="1.5341333333333336"/>
......
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