19 lines
518 B
Plaintext
19 lines
518 B
Plaintext
!! DATE: 2022-07-05 UNITS: real
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parameters ./amoeba.prm
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verbose
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neighbor-list
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tau-temperature 1.0
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tau-pressure 2.0
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a-axis 54.99
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b-axis 41.91
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c-axis 41.91
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vdw-cutoff 12.0
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ewald
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ewald-alpha 0.4
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pewald-alpha 0.5
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ewald-cutoff 7.0
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#pme-grid 60 45 45
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pme-grid 60 48 48
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pme-order 5
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polar-eps 0.00001
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