Mercurial > repos > chemteam > gmx_restraints
changeset 9:54eadeb47ab9 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 08:02:46 +0000 |
| parents | 14a7bf3e03df |
| children | 3f50a097ff35 |
| files | macros.xml |
| diffstat | 1 files changed, 7 insertions(+), 0 deletions(-) [+] |
line wrap: on
line diff
--- a/macros.xml Wed Sep 29 07:41:24 2021 +0000 +++ b/macros.xml Wed Oct 27 08:02:46 2021 +0000 @@ -5,6 +5,9 @@ <requirement type="package" version="@TOOL_VERSION@">gromacs</requirement> </requirements> </xml> + + <token name="@MAXWARN_CMD@">-maxwarn '$mxw'</token> + <xml name="citations"> <citations> <citation type="doi">10.1016/j.softx.2015.06.001</citation> @@ -61,6 +64,10 @@ <param name="capture_log" type="boolean" value="false" label="Generate detailed log" help="Generate detailed log information that can be summarized with ParseLog."/> </xml> + <xml name="maxwarn"> + <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."/> + </xml> + <xml name="log_outputs"> <data name="report" format="txt" from_work_dir="verbose.txt" label="GROMACS log file on ${on_string}"> <filter>capture_log</filter>