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9 lines
421 B
Plaintext
Executable File
9 lines
421 B
Plaintext
Executable File
Mask: meth
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Trajectory step: 1 3 (first; last)
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Cell dimention: 24.42 24.40 24.49 (a; b; c)
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Parametr: 2 (0 - gen.stat; 1 - gen.stat and bonds length; 2 - gen.stat and bonds length and form of agl; 3 - stat for once molecule)
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Interaction: 2 (1 - mono; 2 - di)
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Atom types: 6 21 (1st atom, 2nd atom; or atom)
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Criteria: 3.2 2.4 (1-1 criterion, 1-2 criterion; or 1-1 criterion)
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Num of mol.for stat: 4
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Output: out_all.dat |