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Deep potential developed from the simulations are not working. I have developed the graph.pb for methane from the VASP simulations and try to use it in gromacs. But the methane molecule is dispersing as individual atoms.
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Deep potential developed from the simulations are not working. I have developed the graph.pb for methane from the VASP simulations and try to use it in gromacs. But the methane molecule is dispersing as individual atoms.
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