Mercurial > repos > chemteam > gmx_solvate
annotate test-data/posre_cl.itp @ 14:2c8ed1b52bf7 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 773a59c78e148b770d1a8b0dc6ee2546bae87c3e"
author | chemteam |
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date | Wed, 13 Jan 2021 10:26:35 +0000 |
parents | 27ea4e1a3f95 |
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5
645139abefae
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
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1 |
645139abefae
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff
changeset
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2 [ position_restraints ] |
645139abefae
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
chemteam
parents:
diff
changeset
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3 ; i funct fcx fcy fcz |
11
27ea4e1a3f95
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
5
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4 93 1 500 600 700 |
27ea4e1a3f95
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
chemteam
parents:
5
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changeset
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5 94 1 500 600 700 |