| Previous changeset 6:6b79ed3d924d (2019-11-20) Next changeset 8:91fc33483094 (2019-12-18) |
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Commit message:
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 43df863472247b5da304627b6b863c47ab7d02fa" |
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modified:
macros.xml minim.xml |
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| diff -r 6b79ed3d924d -r 8d4c8a79eadd macros.xml --- a/macros.xml Wed Nov 20 11:11:05 2019 -0500 +++ b/macros.xml Sun Dec 01 09:15:42 2019 -0500 |
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| @@ -55,9 +55,6 @@ </conditional> - <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="log"> |
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| diff -r 6b79ed3d924d -r 8d4c8a79eadd minim.xml --- a/minim.xml Wed Nov 20 11:11:05 2019 -0500 +++ b/minim.xml Sun Dec 01 09:15:42 2019 -0500 |
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| @@ -18,7 +18,7 @@ ln -s '$top_input' ./top_input.top && gmx grompp -f ./minim.mdp -c ./solv_ions.gro -r ./solv_ions.gro -p ./top_input.top -o em.tpr &>> verbose.txt && - gmx mdrun -deffnm em &>> verbose.txt + gmx mdrun -nt "\${GALAXY_SLOTS:-4}" -deffnm em &>> verbose.txt ]]></command> <configfiles> |