15 lines
404 B
Plaintext
15 lines
404 B
Plaintext
; Created by Sobtop (http://sobereva.com/soft/sobtop) Version 1.0(dev5) on 2024-09-19
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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 "Conformer3D_COMPOUND_CID_2733285.itp"
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[ system ]
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Conformer3D_COMPOUND_CID_2733285
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[ molecules ]
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; Molecule nmols
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Conformer3D_COMPOUND_CID_2733285 1
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