Mercurial > repos > chemteam > acpype_amber2gromacs
comparison template_parmconv.j2 @ 0:79c856227ff1 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
| author | chemteam |
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| date | Tue, 30 Nov 2021 10:00:44 +0000 |
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| children |
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| -1:000000000000 | 0:79c856227ff1 |
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| 1 # Template for parmconv in Galaxy | |
| 2 {% if fmt == 'AMBER' %} | |
| 3 parm {{ top_in }} | |
| 4 {% elif fmt == 'GROMACS' %} | |
| 5 gromber {{ top_in }} {{str_in}} | |
| 6 {% elif fmt == 'CHARMM' %} | |
| 7 chamber {{ top_in }} {{str_in}} | |
| 8 {% else %} | |
| 9 parm {{ top_in }} | |
| 10 {% endif %} | |
| 11 strip {{ stripmask }} | |
| 12 summary | |
| 13 outparm {{ prmtop_out }} | |
| 14 quit |