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parametersets :
CharmmParameterSet
ParticlePair :
CustomGBForce
ParticlePairNoExclusions :
CustomGBForce
PME :
AmoebaMultipoleForce
,
NonbondedForce
PolarizationCovalent11 :
AmoebaMultipoleForce
PolarizationCovalent12 :
AmoebaMultipoleForce
PolarizationCovalent13 :
AmoebaMultipoleForce
PolarizationCovalent14 :
AmoebaMultipoleForce
positions :
PDBxFile
,
PDBFile
,
CharmmCrdFile
,
CharmmRstFile
,
DesmondDMSFile
,
GromacsGroFile
,
Modeller
positionsold :
CharmmRstFile
Pressure :
MonteCarloBarostat
,
MonteCarloMembraneBarostat
,
RPMDMonteCarloBarostat
PressureX :
MonteCarloAnisotropicBarostat
PressureY :
MonteCarloAnisotropicBarostat
PressureZ :
MonteCarloAnisotropicBarostat
provenance :
DesmondDMSFile
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