Mercurial > repos > chemteam > gmx_check

comparison test-data/outp.tabular @ 0:26467f738ed4 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 8660ff51cd1a65b04f862562957592fe152fc81d
author chemteam
date Tue, 12 Jul 2022 12:48:09 +0000
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comparison
equal deleted inserted replaced
-1:000000000000 0:26467f738ed4
1 0.000000 615.943726 310.248291 -565.607910
2 0.100000 546.932983 285.720825 -652.096558
3 0.200000 455.540436 312.001129 -764.079712
4 0.300000 399.011078 258.551208 -869.548645
5 0.400000 375.411926 253.486740 -941.101868
6 0.500000 341.939514 286.381439 -942.665039
7 0.600000 311.339386 262.261047 -1042.604736
8 0.700000 267.376160 245.967499 -1110.028687
9 0.800000 281.326874 223.785217 -1115.218750
10 0.900000 272.021881 237.265472 -1073.441406
11 1.000000 304.201172 216.940704 -1089.731323