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README.md
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## Dataset Size
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| 表头 | 表头 |
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| ---- | ---- |
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## Download GROMACS 2024.1 and configure the environment.
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## Dataset Size
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```
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| Number of trajectories | 8,385 |
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| ---- | ---- |
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| Length per trajectory | 100 ns |
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| Cumulative simulation time | 838.5 µs |
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| Total number of atoms | 3,990,516 |
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| Average system size (atoms) | ~476 |
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| Total number of residues | 491,395 |
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| Average system size (residues) | ~59 |
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| Storage size | ...` |
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```
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## Download GROMACS 2024.1 and configure the environment.
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