Mercurial > repos > chemteam > gmx_restraints
annotate test-data/outp.tabular @ 10:3f50a097ff35 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit c428519a27419b62de0556f5beecc4bb7c187ad0"
author | chemteam |
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date | Tue, 30 Nov 2021 15:29:51 +0000 |
parents | ca6a4740114e |
children | 25b8272872c8 |
rev | line source |
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6
ca6a4740114e
"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 |
ca6a4740114e
"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 |
ca6a4740114e
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
3 0.200000 -1076.080811 -764.079712 -564.585632 |
ca6a4740114e
"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 |
ca6a4740114e
"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 |
ca6a4740114e
"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 |
ca6a4740114e
"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 |
ca6a4740114e
"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 |
ca6a4740114e
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
9 0.800000 -1339.003906 -1115.218750 -566.635681 |
ca6a4740114e
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
10 0.900000 -1310.706909 -1073.441406 -566.569702 |
ca6a4740114e
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
diff
changeset
|
11 1.000000 -1306.671997 -1089.731323 -566.253174 |