# HG changeset patch
# User chemteam
# Date 1575209742 18000
# Node ID 8d4c8a79eaddf13f7363d00999e47d876a353847
# Parent 6b79ed3d924d9ac12c6438920a1fa87a8c2cb3da
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 43df863472247b5da304627b6b863c47ab7d02fa"
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
@@ -55,9 +55,6 @@
-
-
-
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
@@ -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
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