# HG changeset patch # User chemteam # Date 1567191394 14400 # Node ID 090546cfd52c97a3df2bb6531684cd2a47a6357d # Parent 9a9768ad0f81828506967df1cea88391d1639cd6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit b1b74e91a242f2de250761a79b17d77e68b1045f" diff -r 9a9768ad0f81 -r 090546cfd52c packmol.xml --- a/packmol.xml Mon Oct 08 05:31:09 2018 -0400 +++ b/packmol.xml Fri Aug 30 14:56:34 2019 -0400 @@ -1,5 +1,5 @@ - Initial configurations for Molecular Dynamics Simulations by packing optimization + Initial configurations for Molecular Dynamics simulations by packing optimization macros_packmol.xml