| Previous changeset 6:0d855119e896 (2019-11-20) Next changeset 8:32fced15a189 (2019-12-18) |
|
Commit message:
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 43df863472247b5da304627b6b863c47ab7d02fa" |
|
modified:
macros.xml minim.xml |
| b |
| diff -r 0d855119e896 -r 759bfb8fef0d macros.xml --- a/macros.xml Wed Nov 20 16:04:15 2019 +0000 +++ b/macros.xml Sun Dec 01 14:06:01 2019 +0000 |
| b |
| @@ -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"> |
| b |
| diff -r 0d855119e896 -r 759bfb8fef0d minim.xml --- a/minim.xml Wed Nov 20 16:04:15 2019 +0000 +++ b/minim.xml Sun Dec 01 14:06:01 2019 +0000 |
| b |
| @@ -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> |