# HG changeset patch # User chemteam # Date 1570466284 14400 # Node ID 3715716fd331e326572e08b2084cedc3144f69b1 # Parent 3019758be83b6daf0c5df25141e5510f5c731680 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf" diff -r 3019758be83b -r 3715716fd331 macros.xml --- a/macros.xml Fri Aug 30 15:00:54 2019 -0400 +++ b/macros.xml Mon Oct 07 12:38:04 2019 -0400 @@ -1,8 +1,8 @@ - 2019.1 + 2019.1.1 - gromacs + gromacs @@ -11,32 +11,46 @@ + + + + + + + + + + + + + + - + - + - + - + - + @@ -48,27 +62,13 @@ - + - - - - - - - - - - - - - - - + diff -r 3019758be83b -r 3715716fd331 merge_top.xml --- a/merge_top.xml Fri Aug 30 15:00:54 2019 -0400 +++ b/merge_top.xml Mon Oct 07 12:38:04 2019 -0400 @@ -1,4 +1,4 @@ - + for example, for protein and ligand files macros.xml @@ -13,8 +13,8 @@ python '$__tool_directory__/merge_top.py' top_input.top itps.txt ]]> - - + + @@ -27,7 +27,31 @@