Mercurial > repos > chemteam > gmx_solvate

diff test-data/md_0_1.tabular @ 10:dc2400b6361d draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
author chemteam
date Fri, 08 May 2020 07:31:18 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/md_0_1.tabular	Fri May 08 07:31:18 2020 -0400
@@ -0,0 +1,11 @@
+0.000000	-593300.312500	-497358.281250	300.761719
+0.100000	-592522.125000	-497450.843750	298.032074
+0.200000	-593496.500000	-497942.718750	299.544647
+0.300000	-593921.062500	-497878.187500	301.077850
+0.400000	-593262.062500	-497926.406250	298.860870
+0.500000	-593674.437500	-498809.312500	297.385773
+0.600000	-594222.062500	-498825.562500	299.051605
+0.700000	-593496.625000	-498020.125000	299.302399
+0.800000	-593813.875000	-498131.031250	299.949219
+0.900000	-594351.437500	-498515.812500	300.428131
+1.000000	-595232.000000	-499672.000000	299.564087