Davide Sarpa

icon company University of Southampton icon location Southampton, UK icon location PhD in Theoretical/Computational chemistry @ University of Southampton

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Question regarding Napthalene C (atom type 92) in OPLSAA

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Dear moltemplate developers, I am trying to simulate Anthracene with OPLS-AA force field in LAMMPS. To generate the data files needed I assigned the following atom types: - 90 (Aromatic...