Mercurial > repos > chemteam > gmx_editconf
comparison macros.xml @ 11:206b219f4847 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033"
author | chemteam |
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date | Wed, 01 Dec 2021 15:29:09 +0000 |
parents | dd8655665a16 |
children | d06c503b33bd |
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10:dd8655665a16 | 11:206b219f4847 |
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75 <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}"> | 75 <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}"> |
76 <filter>capture_log</filter> | 76 <filter>capture_log</filter> |
77 </data> | 77 </data> |
78 </xml> | 78 </xml> |
79 | 79 |
80 <xml name="xvg_or_tab"> | |
81 <param argument="fmt" type='select' label="Output format" help="Format for output; either standard GROMACS XVG, or Galaxy tabular file."> | |
82 <option value="xvg">GROMACS XVG format</option> | |
83 <option value="tabular" selected="true">Galaxy tabular</option> | |
84 </param> | |
85 </xml> | |
86 | |
87 <xml name="xvg_or_tab_outputs" token_name="" token_label=""> | |
88 <data name="output1" format="xvg" from_work_dir="@NAME@.xvg" label="@LABEL@"> | |
89 <filter>fmt == 'xvg'</filter> | |
90 </data> | |
91 <data name="output2" format="tabular" from_work_dir="@NAME@.tabular" label="@LABEL@"> | |
92 <filter>fmt == 'tabular'</filter> | |
93 </data> | |
94 </xml> | |
95 | |
80 <xml name="test_params"> | 96 <xml name="test_params"> |
81 <param name="mdpfile" value="default" /> | 97 <param name="mdpfile" value="default" /> |
82 <param name="step_length" value="0.002"/> | 98 <param name="step_length" value="0.002"/> |
83 <param name="md_steps" value="500"/> | 99 <param name="md_steps" value="500"/> |
84 <param name="write_freq" value="50"/> | 100 <param name="write_freq" value="50"/> |