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description | planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 4bffc6aa89cd0e6d6435a6e571b3836eaab076f1 |
files | test-data/trjconv_skip2.xtc |
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description | planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 8660ff51cd1a65b04f862562957592fe152fc81d |
files | test-data/check_compare_energy.txt test-data/check_compare_topology.txt test-data/check_compare_traj.txt test-data/check_info_energy.txt test-data/check_info_index.txt test-data/check_info_structure.txt test-data/check_info_traj.txt test-data/npt2.tpr |
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description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 5536c9fbb2f680a5f296db81362099e5a68e0587" |
files | test-data/outp.tabular test-data/outp.xvg |
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user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 7120a24dbb365d0a06595018a3b6f27dad0961e0" |
files | macros.xml |
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user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit a8eac146d0f6b9696f4afaaaa96891e8e324f78e" |
files | test-data/oplsaa.ff-tip4p.itp |
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user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033" |
files | macros.xml |
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description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit c428519a27419b62de0556f5beecc4bb7c187ad0" |
files | macros.xml |
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user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit bf18581ac3de6b65bdc0a988e6f844cea6e77975" |
files | macros.xml |
changeset | bff4c37097b5 |
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description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 2f3d14b4f200100881e362b0f3b97f0e8a36d1f3" |
files | macros.xml test-data/frame7.pdb test-data/minim.edr test-data/minim.gro test-data/minim.mdp test-data/newbox.pdb test-data/outp.xvg test-data/solv.gro test-data/topol.top test-data/topol_md.top |
changeset | b3ae940ed305 |
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description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit ab7232ec03a3361f808f5a0be0828e0f7fbd376d" |
files | macros.xml |