Mercurial > repos > chemteam > acpype_amber2gromacs
view template_parmconv.j2 @ 1:5b4ae74b7f0b draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
author | chemteam |
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date | Thu, 27 Jan 2022 17:19:05 +0000 |
parents | 79c856227ff1 |
children |
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# Template for parmconv in Galaxy {% if fmt == 'AMBER' %} parm {{ top_in }} {% elif fmt == 'GROMACS' %} gromber {{ top_in }} {{str_in}} {% elif fmt == 'CHARMM' %} chamber {{ top_in }} {{str_in}} {% else %} parm {{ top_in }} {% endif %} strip {{ stripmask }} summary outparm {{ prmtop_out }} quit