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..
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NPT.json
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NPT_NVT.json
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NPT_NVT_orig.json
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NPT_orig.json
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NVT.json
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NVT.json.bak
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cocktail.xyz
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data.peptide
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ff_data.yaml
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gaff_data.txt
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in.peptide
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monomer.xyz
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nvt.data
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nvt.dump
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nvt.inp
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nvt.log
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peo_bulk.xyz
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peo_head.xyz
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peo_tail.xyz
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polymer.xyz
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polymer_chain.xyz
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polymer_linear.xyz
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polymer_matrix.xyz
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thermo_data.txt
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trajectory_timestep_82.txt
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trajectory_timestep_82_sorted.txt
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