Mercurial > repos > chemteam > gmx_restraints

diff test-data/outp.tabular @ 6:ca6a4740114e draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:01:45 -0400
parents
children 25b8272872c8
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/outp.tabular	Wed May 20 13:01:45 2020 -0400
@@ -0,0 +1,11 @@
+0.000000	-875.856201	-565.607910	-561.483948
+0.100000	-937.817383	-652.096558	-563.097961
+0.200000	-1076.080811	-764.079712	-564.585632
+0.300000	-1128.099854	-869.548645	-563.387207
+0.400000	-1194.588623	-941.101868	-563.371216
+0.500000	-1229.046509	-942.665039	-564.364685
+0.600000	-1304.865845	-1042.604736	-565.530396
+0.700000	-1355.996216	-1110.028687	-566.059509
+0.800000	-1339.003906	-1115.218750	-566.635681
+0.900000	-1310.706909	-1073.441406	-566.569702
+1.000000	-1306.671997	-1089.731323	-566.253174