Mercurial > repos > chemteam > gmx_setup
annotate test-data/outp.tabular @ 12:4da9ee404eab draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author | chemteam |
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date | Wed, 20 May 2020 13:03:07 -0400 |
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children | a66c193fafdb |
rev | line source |
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12
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
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1 0.000000 -875.856201 -565.607910 -561.483948 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
2 0.100000 -937.817383 -652.096558 -563.097961 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
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3 0.200000 -1076.080811 -764.079712 -564.585632 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
4 0.300000 -1128.099854 -869.548645 -563.387207 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
5 0.400000 -1194.588623 -941.101868 -563.371216 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
6 0.500000 -1229.046509 -942.665039 -564.364685 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
7 0.600000 -1304.865845 -1042.604736 -565.530396 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
8 0.700000 -1355.996216 -1110.028687 -566.059509 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
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9 0.800000 -1339.003906 -1115.218750 -566.635681 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
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10 0.900000 -1310.706909 -1073.441406 -566.569702 |
4da9ee404eab
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
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11 1.000000 -1306.671997 -1089.731323 -566.253174 |