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Commit 14456cd

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author
Han Wang
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add missing data files
1 parent 9c3857d commit 14456cd

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lines changed

2 files changed

+24
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tests/gromacs/1h.gro

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1SOL O 1 0.135 0.183 0.341
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1SOL H 2 0.177 0.149 0.262
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1SOL H 3 0.046 0.149 0.339
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2SOL O 4 0.520 0.447 0.111
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2SOL H 5 0.567 0.481 0.035
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2SOL H 6 0.568 0.481 0.186
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3SOL O 7 0.651 0.539 0.335
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3SOL H 8 0.653 0.634 0.336
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3SOL H 9 0.743 0.512 0.336
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0.7822838765564372 0.7353572647182051 0.9036518515423753

tests/gromacs/1h.tri.gro

Lines changed: 12 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,12 @@
1+
2+
9
3+
1SOL O 1 0.135 0.183 0.341
4+
1SOL H 2 0.177 0.149 0.262
5+
1SOL H 3 0.046 0.149 0.339
6+
2SOL O 4 0.520 0.447 0.111
7+
2SOL H 5 0.567 0.481 0.035
8+
2SOL H 6 0.568 0.481 0.186
9+
3SOL O 7 0.651 0.539 0.335
10+
3SOL H 8 0.653 0.634 0.336
11+
3SOL H 9 0.743 0.512 0.336
12+
0.7822838765564372 0.7353572647182051 0.9036518515423753 0.0 0.1 0.2 0.3 0.4 0.5

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