Mercurial > repos > chemteam > gmx_setup
comparison setup.xml @ 14:1d4dd4f908d4 draft
"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 |
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| 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" /> |