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21 lines
256 B
Text
21 lines
256 B
Text
memory heap 1 mb stack 512 mb global 12 mb
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start job
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prepare
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system mache_md
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end
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task prepare
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md
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system mache_md
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equil 0 data 10
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print step 1 stat 10
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isotherm 298.15 trelax 0.1 0.1
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isobar
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record rest 0
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pme grid 96 order 4
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end
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task md dynamics
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