Mercurial > repos > chemteam > gmx_rmsd

diff test-data/outp.tabular @ 0:7f64dd60f5d7 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 27f3e0b555b8178299ada42df33006e2f69b4e80
author chemteam
date Mon, 24 Oct 2022 22:12:01 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/outp.tabular	Mon Oct 24 22:12:01 2022 +0000
@@ -0,0 +1,11 @@
+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