Mercurial > repos > chemteam > gmx_nvt
comparison nvt.xml @ 1:3a018cc1f690 draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7ba07c3130a2170e8f91acc4a81f5626563a79eb
| author | chemteam |
|---|---|
| date | Thu, 28 Mar 2019 10:17:57 -0400 |
| parents | f425c1453662 |
| children |
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| 0:f425c1453662 | 1:3a018cc1f690 |
|---|---|
| 157 <output name="output2" file="nvt.cpt" ftype="cpt" compare="sim_size"/> | 157 <output name="output2" file="nvt.cpt" ftype="cpt" compare="sim_size"/> |
| 158 </test> | 158 </test> |
| 159 </tests> | 159 </tests> |
| 160 <help><![CDATA[ | 160 <help><![CDATA[ |
| 161 | 161 |
| 162 Upload GRO, TOP and ITP (position restraint) files for equilibration under an NVT ensemble. To take advantage of all GROMACS features, upload an MDP file with simulation parameters. Otherwise, choose parameters through the Galaxy interface. See http://manual.gromacs.org/online/mdp_opt.html for more information on the options. | 162 Upload GRO, TOP and ITP (position restraint) files for equilibration under an NVT ensemble. To take advantage of all GROMACS features, upload an MDP file with simulation parameters. Otherwise, choose parameters through the Galaxy interface. See http://manual.gromacs.org/documentation/2018/user-guide/mdp-options.html for more information on the options. |
| 163 ]]></help> | 163 ]]></help> |
| 164 | 164 |
| 165 <expand macro="citations" /> | 165 <expand macro="citations" /> |
| 166 </tool> | 166 </tool> |