15 lines
334 B
Plaintext
Executable File
15 lines
334 B
Plaintext
Executable File
; Created by Sobtop (http://sobereva.com/soft/sobtop) Version 1.0(dev5) on 2024-09-26
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[ defaults ]
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; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ
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1 2 yes 0.5 0.8333
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#include "/root/workdir/mole.itp"
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[ system ]
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mole
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[ molecules ]
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; Molecule nmols
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mole 1
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