Mercurial > repos > chemteam > parmconv
diff template_parmconv.j2 @ 3:2b82fc7bec67 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit cc13bd32ef2d80b01dc197a3ca120a4ff9f0dacc"
author | chemteam |
---|---|
date | Fri, 12 Mar 2021 12:32:24 +0000 |
parents | 6c6cecf51bd0 |
children |
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--- a/template_parmconv.j2 Tue Feb 16 21:55:34 2021 +0000 +++ b/template_parmconv.j2 Fri Mar 12 12:32:24 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 %}