Commit 245a7380 authored by Jason Swails's avatar Jason Swails
Browse files

Merge branch 'master' of https://github.com/pandegroup/openmm

parents fd1827e0 b43e3f12
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<ForceField> <ForceField>
<Info> <Info>
<Source>amoebapro13_5-2014.prm</Source> <Source>amoebapro13.prm</Source>
<DateGenerated>2014-05-08</DateGenerated> <DateGenerated>2015-02-19</DateGenerated>
<Reference>Yue Shi, Zhen Xia, Jiajing Zhang, Robert Best, Chuanjie Wu, Jay W. Ponder, and Pengyu Ren. Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins. Journal of Chemical Theory and Computation, 9(9):4046–4063, 2013.</Reference> <Reference>Yue Shi, Zhen Xia, Jiajing Zhang, Robert Best, Chuanjie Wu, Jay W. Ponder, and Pengyu Ren. Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins. Journal of Chemical Theory and Computation, 9(9):4046–4063, 2013.</Reference>
</Info> </Info>
<AtomTypes> <AtomTypes>
...@@ -170,7 +170,7 @@ ...@@ -170,7 +170,7 @@
<Type name="163" class="32" element="C" mass="12.011"/> <Type name="163" class="32" element="C" mass="12.011"/>
<Type name="164" class="33" element="O" mass="15.999"/> <Type name="164" class="33" element="O" mass="15.999"/>
<Type name="165" class="34" element="O" mass="15.999"/> <Type name="165" class="34" element="O" mass="15.999"/>
<Type name="166" class="35" element="H" mass="15.999"/> <Type name="166" class="35" element="H" mass="1.008"/>
<Type name="167" class="8" element="C" mass="12.011"/> <Type name="167" class="8" element="C" mass="12.011"/>
<Type name="168" class="9" element="H" mass="1.008"/> <Type name="168" class="9" element="H" mass="1.008"/>
<Type name="169" class="8" element="C" mass="12.011"/> <Type name="169" class="8" element="C" mass="12.011"/>
......
<ForceField> <ForceField>
<Info> <Info>
<Source>amoebapro13_5-2014.prm</Source> <Source>amoebapro13.prm</Source>
<DateGenerated>2014-05-08</DateGenerated> <DateGenerated>2015-02-19</DateGenerated>
<Reference>Yue Shi, Zhen Xia, Jiajing Zhang, Robert Best, Chuanjie Wu, Jay W. Ponder, and Pengyu Ren. Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins. Journal of Chemical Theory and Computation, 9(9):4046–4063, 2013.</Reference> <Reference>Yue Shi, Zhen Xia, Jiajing Zhang, Robert Best, Chuanjie Wu, Jay W. Ponder, and Pengyu Ren. Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins. Journal of Chemical Theory and Computation, 9(9):4046–4063, 2013.</Reference>
</Info> </Info>
<AmoebaGeneralizedKirkwoodForce solventDielectric="78.3" soluteDielectric="1.0" includeCavityTerm="1" probeRadius="0.14" surfaceAreaFactor="-170.351730663"> <AmoebaGeneralizedKirkwoodForce solventDielectric="78.3" soluteDielectric="1.0" includeCavityTerm="1" probeRadius="0.14" surfaceAreaFactor="-170.351730663">
......
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