from MD ensemble with MDAnalysis
macros.xml
2
> ./strs.txt &&
#end for
#for t in $trajs:
echo $t &>> ./trajs.txt &&
#end for
python '$__tool_directory__/extract_rmsd.py'
--trajs trajs.txt
--strs strs.txt
--traj-format '$trajs[0].ext'
--str-format '$strs[0].ext'
--outfile '$output'
--group '$group'
--start '$start'
--end '$end'
--step '$step'
]]>