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Supplementary input files

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posted on 2025-03-12, 12:06 authored by Artem Kunitsyn, Nadezhda Nekrasova, Nikolai Krivoshchapov, Eugeny Alexandrov, Alexander Pavlov, Michael Medvedev
Example input files for LAMMPS with force field parameters and push-off settings + XYZ of structures P0-P4 (initial and relaxed)

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    Journal of Chemical Physics

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    PolymersMolecular dynamicsReplica exchange

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