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UserData/info.yml
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+DOI: 10.5281/zenodo.20579050
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+TRJ: MD1.5.xtc
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+SOFTWARE: gromacs
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+PREEQTIME: 0
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+TIMELEFTOUT: 20
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+TEMPERATURE: 333
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+SYSTEM: Fully hydrated DLPC bilayer in SPC/E water (LJ-PME)
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+AUTHORS_CONTACT: Matej Kanduc
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+SOFTWARE_VERSION: Gromacs 2022
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+FF: CHARMM36/LJ-PME
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+EDR: MD1.5.edr
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+TPR: MD1.5.tpr
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+GRO: init.gro
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+COMPOSITION:
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+ DLPC:
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+ NAME: DLPC
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+ MAPPING: mappingDLPCcharmm.yaml
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+ SOL:
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+ NAME: SOL
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+ MAPPING: mappingSPCwater.yaml
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