Mercurial > repos > chemteam > ambertools_parmchk2
diff template_parmconv.j2 @ 8:7afe7044a2aa draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit cc13bd32ef2d80b01dc197a3ca120a4ff9f0dacc"
author | chemteam |
---|---|
date | Fri, 12 Mar 2021 12:31:39 +0000 |
parents | 96b872138d3b |
children |
line wrap: on
line diff
--- a/template_parmconv.j2 Tue Feb 16 21:56:40 2021 +0000 +++ b/template_parmconv.j2 Fri Mar 12 12:31:39 2021 +0000 @@ -2,9 +2,9 @@ {% if fmt == 'AMBER' %} parm {{ top_in }} {% elif fmt == 'GROMACS' %} -gromber {{ top_in }} {{gro_in}} +gromber {{ top_in }} {{str_in}} {% elif fmt == 'CHARMM' %} -chamber {{ top_in }} {{gro_in}} +chamber {{ top_in }} {{str_in}} {% else %} parm {{ top_in }} {% endif %}