Mercurial > repos > chemteam > gmx_setup
comparison macros.xml @ 15:8ad46f918541 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit bf18581ac3de6b65bdc0a988e6f844cea6e77975"
| author | chemteam |
|---|---|
| date | Wed, 27 Oct 2021 08:00:18 +0000 |
| parents | 1d4dd4f908d4 |
| children | dfa3e24fd85d |
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| 14:1d4dd4f908d4 | 15:8ad46f918541 |
|---|---|
| 3 <xml name="requirements"> | 3 <xml name="requirements"> |
| 4 <requirements> | 4 <requirements> |
| 5 <requirement type="package" version="@TOOL_VERSION@">gromacs</requirement> | 5 <requirement type="package" version="@TOOL_VERSION@">gromacs</requirement> |
| 6 </requirements> | 6 </requirements> |
| 7 </xml> | 7 </xml> |
| 8 | |
| 9 <token name="@MAXWARN_CMD@">-maxwarn '$mxw'</token> | |
| 10 | |
| 8 <xml name="citations"> | 11 <xml name="citations"> |
| 9 <citations> | 12 <citations> |
| 10 <citation type="doi">10.1016/j.softx.2015.06.001</citation> | 13 <citation type="doi">10.1016/j.softx.2015.06.001</citation> |
| 11 </citations> | 14 </citations> |
| 12 </xml> | 15 </xml> |
| 59 | 62 |
| 60 <xml name="log"> | 63 <xml name="log"> |
| 61 <param name="capture_log" type="boolean" value="false" label="Generate detailed log" help="Generate detailed log information that can be summarized with ParseLog."/> | 64 <param name="capture_log" type="boolean" value="false" label="Generate detailed log" help="Generate detailed log information that can be summarized with ParseLog."/> |
| 62 </xml> | 65 </xml> |
| 63 | 66 |
| 67 <xml name="maxwarn"> | |
| 68 <param name="mxw" value="0" min="0" argument="-maxwarn" type="integer" label="Maximum warnings to allow." help="Do not use this unless you know what you are doing. This option allows you to override non-fatal warnings, that would otherwise cause the simulation to fail."/> | |
| 69 </xml> | |
| 70 | |
| 64 <xml name="log_outputs"> | 71 <xml name="log_outputs"> |
| 65 <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}"> | 72 <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}"> |
| 66 <filter>capture_log</filter> | 73 <filter>capture_log</filter> |
| 67 </data> | 74 </data> |
| 68 </xml> | 75 </xml> |