Mercurial > repos > chemteam > gmx_solvate
comparison test-data/outp.tabular @ 22:598e0078040b draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 5536c9fbb2f680a5f296db81362099e5a68e0587"
| author | chemteam |
|---|---|
| date | Tue, 22 Mar 2022 17:38:56 +0000 |
| parents | 27ea4e1a3f95 |
| children |
comparison
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| 21:2dfcf594c838 | 22:598e0078040b |
|---|---|
| 1 0.000000 -875.856201 -565.607910 -561.483948 | 1 0.000000 615.943726 310.248291 -565.607910 |
| 2 0.100000 -937.817383 -652.096558 -563.097961 | 2 0.100000 546.932983 285.720825 -652.096558 |
| 3 0.200000 -1076.080811 -764.079712 -564.585632 | 3 0.200000 455.540436 312.001129 -764.079712 |
| 4 0.300000 -1128.099854 -869.548645 -563.387207 | 4 0.300000 399.011078 258.551208 -869.548645 |
| 5 0.400000 -1194.588623 -941.101868 -563.371216 | 5 0.400000 375.411926 253.486740 -941.101868 |
| 6 0.500000 -1229.046509 -942.665039 -564.364685 | 6 0.500000 341.939514 286.381439 -942.665039 |
| 7 0.600000 -1304.865845 -1042.604736 -565.530396 | 7 0.600000 311.339386 262.261047 -1042.604736 |
| 8 0.700000 -1355.996216 -1110.028687 -566.059509 | 8 0.700000 267.376160 245.967499 -1110.028687 |
| 9 0.800000 -1339.003906 -1115.218750 -566.635681 | 9 0.800000 281.326874 223.785217 -1115.218750 |
| 10 0.900000 -1310.706909 -1073.441406 -566.569702 | 10 0.900000 272.021881 237.265472 -1073.441406 |
| 11 1.000000 -1306.671997 -1089.731323 -566.253174 | 11 1.000000 304.201172 216.940704 -1089.731323 |