| Previous changeset 2:5642f48f5698 (2019-11-20) Next changeset 4:cdaed42b4223 (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 sim.xml |
| b |
| diff -r 5642f48f5698 -r 4dba9a5b74fc macros.xml --- a/macros.xml Wed Nov 20 11:13:22 2019 -0500 +++ b/macros.xml Sun Dec 01 09:14:59 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 5642f48f5698 -r 4dba9a5b74fc sim.xml --- a/sim.xml Wed Nov 20 11:13:22 2019 -0500 +++ b/sim.xml Sun Dec 01 09:14:59 2019 -0500 |
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| @@ -44,7 +44,7 @@ -o outp.tpr &>> verbose.txt && - gmx mdrun -deffnm outp &>> verbose.txt + gmx mdrun -nt "\${GALAXY_SLOTS:-4}" -deffnm outp &>> verbose.txt #if $outps.str == 'pdb' or $outps.str == 'both' && gmx editconf -f outp.gro -o outp.pdb &>> verbose.txt |