23 lines
486 B
Plaintext
23 lines
486 B
Plaintext
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[ defaults ]
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; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ
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1 1 no 1.0 1.0
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[ atomtypes ]
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AR 39.948 0.0 A 0.00622127 9.69576e-06
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[ moleculetype ]
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; molname nrexcl
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Ar 1
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[ atoms ]
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; id at type res nr residu name at name cg nr charge
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1 AR 1 Ar Ar 1 0
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[ system ]
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; Name
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Argon
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[ molecules ]
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; Compound #mols
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AR 100
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