Mercurial > repos > chemteam > gmx_restraints

annotate test-data/md_0_1.tabular @ 5:a550cfa43262 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 07:46:08 -0400
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a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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1 0.000000 -593300.312500 -497358.281250 300.761719
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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2 0.100000 -592522.125000 -497450.843750 298.032074
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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3 0.200000 -593496.500000 -497942.718750 299.544647
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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4 0.300000 -593921.062500 -497878.187500 301.077850
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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5 0.400000 -593262.062500 -497926.406250 298.860870
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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6 0.500000 -593674.437500 -498809.312500 297.385773
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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7 0.600000 -594222.062500 -498825.562500 299.051605
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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8 0.700000 -593496.625000 -498020.125000 299.302399
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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9 0.800000 -593813.875000 -498131.031250 299.949219
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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10 0.900000 -594351.437500 -498515.812500 300.428131
a550cfa43262 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
chemteam
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11 1.000000 -595232.000000 -499672.000000 299.564087