diff --git a/Examples/Ar_MgMOF74_Allegro/simulation.input b/Examples/Ar_MgMOF74_Allegro/simulation.input index ae87a98..6dead36 100644 --- a/Examples/Ar_MgMOF74_Allegro/simulation.input +++ b/Examples/Ar_MgMOF74_Allegro/simulation.input @@ -49,4 +49,5 @@ Component 0 MoleculeName argon TranslationProbability 1.0 ReinsertionProbability 1.0 SwapProbability 1.0 + DNNPseudoAtoms Ar CreateNumberOfMolecules 0