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Adapted to Linux
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arcan1s
2012-11-23 15:56:41 +04:00
parent 85e27fdc30
commit 3c1eb2d6c8
4 changed files with 21 additions and 19 deletions
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18
stat/input_stat.dat
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@ -1,9 +1,9 @@
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD>: meth
<EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 1 3 (<28><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><>: 24.42 24.40 24.49 (a; b; c)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD>: 2 (0 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>.; 1 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>. <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 2 - <20><><EFBFBD>.<2E><><EFBFBD><EFBFBD>. <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 3 - <20><><EFBFBD><EFBFBD>. <20><><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 2 (1 - <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; 2 - <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 6 21 (1<><31> <20><><EFBFBD><EFBFBD>, 2<><32> <20><><EFBFBD><EFBFBD>; <20><><EFBFBD> <20><><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: 3.2 2.4 (1-1 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>, 1-2 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>; <20><><EFBFBD> 1-1 <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>)
<EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD>. <20><><EFBFBD> <20><><EFBFBD><EFBFBD>.: 4
<EFBFBD><EFBFBD><EFBFBD> <20><><EFBFBD><EFBFBD><EFBFBD> <20> <20><><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD><EFBFBD>: out_all.dat
Mask: meth
Trajectory step: 1 3 (first; last)
Cell dimention: 24.42 24.40 24.49 (a; b; c)
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)
Interaction: 2 (1 - mono; 2 - di)
Atom types: 6 21 (1st atom, 2nd atom; or atom)
Criteria: 3.2 2.4 (1-1 criterion, 1-2 criterion; or 1-1 criterion)
Num of mol.for stat: 4
Output: out_all.dat