Mercurial > repos > chemteam > gmx_setup

comparison setup.xml @ 14:1d4dd4f908d4 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 2f3d14b4f200100881e362b0f3b97f0e8a36d1f3"
author chemteam
date Wed, 29 Sep 2021 07:42:14 +0000
parents 4da9ee404eab
children
comparison
equal deleted inserted replaced
13:2c349b027a01 14:1d4dd4f908d4
48 48
49 <expand macro="log" /> 49 <expand macro="log" />
50 50
51 </inputs> 51 </inputs>
52 <outputs> 52 <outputs>
53 <data name="output1" format="top" from_work_dir="topol.top"/> 53 <data name="output1" format="top" from_work_dir="topol.top" label="GROMACS setup (TOP) on ${on_string}"/>
54 <data name="output2" format="gro" from_work_dir="processed.gro"/> 54 <data name="output2" format="gro" from_work_dir="processed.gro" label="GROMACS setup (GRO) on ${on_string}"/>
55 <data name="output3" format="itp" from_work_dir="posres.itp"/> 55 <data name="output3" format="itp" from_work_dir="posres.itp" label="GROMACS setup (ITP) on ${on_string}"/>
56 <expand macro="log_outputs" /> 56 <expand macro="log_outputs" />
57 </outputs> 57 </outputs>
58 <tests> 58 <tests>
59 <test> 59 <test>
60 <param name="pdb_input" value="init.pdb" /> 60 <param name="pdb_input" value="init.pdb" />