Mercurial > repos > chemteam > gmx_sim
changeset 5:171ce1253b19 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3786d1760d039118fa87c5df52d59eec0a5781a3"
author | chemteam |
---|---|
date | Fri, 10 Jan 2020 12:34:53 -0500 |
parents | cdaed42b4223 |
children | b1061cc2653a |
files | sim.xml |
diffstat | 1 files changed, 6 insertions(+), 3 deletions(-) [+] |
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--- a/sim.xml Wed Dec 18 15:25:39 2019 -0500 +++ b/sim.xml Fri Jan 10 12:34:53 2020 -0500 @@ -1,4 +1,4 @@ -<tool id="gmx_sim" name="GROMACS simulation" version="@VERSION@"> +<tool id="gmx_sim" name="GROMACS simulation" version="@VERSION@.1"> <description>for system equilibration or data collection</description> <macros> <import>macros.xml</import> @@ -243,10 +243,13 @@ <data name="output6" format="edr" from_work_dir="outp.edr"> <filter>outps["edr_out"] == 'true'</filter> </data> - <collection name="output7" type="list"> + <data name="output7" format="xvg" from_work_dir="outp_pullf.xvg"> + <filter>outps["xvg_out"] == 'true'</filter> + </data> + <!-- <collection name="output7" type="list"> <discover_datasets pattern="(?P<designation>.*)\.xvg" visible="true" directory="." /> <filter>outps["xvg_out"] == 'true'</filter> - </collection> + </collection> --> <data name="output8" format="binary" from_work_dir="outp.tpr"> <filter>outps["tpr_out"] == 'true'</filter> </data>