Add simulation tutorials associated files
Browse files
simulation/3bpa_md_example.xyz
ADDED
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27
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| 29 |
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simulation/aspirin_batched_example.xyz
ADDED
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| 1 |
+
21
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| 2 |
+
Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.692196977838 pbc="F F F"
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| 3 |
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| 24 |
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21
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| 25 |
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Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.965931724546 pbc="F F F"
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| 26 |
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| 47 |
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21
|
| 48 |
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Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.63716176216 pbc="F F F"
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| 49 |
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| 70 |
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21
|
| 71 |
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Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.769743558147 pbc="F F F"
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| 72 |
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simulation/example_model.zip
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