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view template_parmconv.j2 @ 3:cf2be7b90ea5 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c440a43396b4d815ef35f45ed562e22bf37c028"
author chemteam
date Tue, 16 Feb 2021 21:57:02 +0000
parents d09f116dfca5
children 879662481176
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# Template for parmconv in Galaxy
{% if fmt == 'AMBER' %}
parm {{ top_in }}
{% elif fmt == 'GROMACS' %}
gromber {{ top_in }} {{gro_in}}
{% elif fmt == 'CHARMM' %}
chamber {{ top_in }} {{gro_in}}
{% else %}
parm {{ top_in }}
{% endif %}
strip {{ stripmask }}
summary
outparm {{ prmtop_out }}
quit