Mercurial > repos > chemteam > gmx_solvate

view test-data/outp.tabular @ 22:598e0078040b draft

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"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
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0.000000	615.943726	310.248291	-565.607910
0.100000	546.932983	285.720825	-652.096558
0.200000	455.540436	312.001129	-764.079712
0.300000	399.011078	258.551208	-869.548645
0.400000	375.411926	253.486740	-941.101868
0.500000	341.939514	286.381439	-942.665039
0.600000	311.339386	262.261047	-1042.604736
0.700000	267.376160	245.967499	-1110.028687
0.800000	281.326874	223.785217	-1115.218750
0.900000	272.021881	237.265472	-1073.441406
1.000000	304.201172	216.940704	-1089.731323