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view template_parmconv.j2 @ 5:2c62c4422f7a draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit fe0c452249565047df8ac0a6f5956fe8ea0cd60d"
author chemteam
date Wed, 09 Jun 2021 09:54:35 +0000
parents 879662481176
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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