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<OOPSE version=4> |
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<MetaData> |
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#include "lj.md" |
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nMol = 108; |
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} |
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initialConfig = "./argonNVT.in"; |
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forceField = "LJ"; |
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targetTemp = 119.8; |
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|
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thermalTime = 100.0; |
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tempSet = "false"; |
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</MetaData> |
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<Snapshot> |
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<FrameData> |
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Time: 0 |
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Hmat: {{ 17.1431, 0, 0 }, { 0, 17.1431, 0 }, { 0, 0, 17.1431 }} |
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</FrameData> |
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</StuntDoubles> |
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</Snapshot> |
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</OOPSE> |
