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Pull requests: marrink-lab/vermouth-martinize
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include all GROMACS types in the ffinput
#251
by fgrunewald
was merged Apr 16, 2020
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updated Apr 16, 2020
preserve meta when converting block to molecule
#245
by fgrunewald
was merged Apr 17, 2020
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updated Apr 17, 2020
Isomorph mapping
ready for merge
#82
by pckroon
was merged Jun 14, 2018
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updated Jun 3, 2020
3 tasks done
Make PDB writer write correct CONECT records for multiple molecules
#106
by pckroon
was merged Sep 12, 2018
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updated Jun 3, 2020
Update deprecated option for sphinx 1.8.0
#108
by jbarnoud
was closed Sep 13, 2018
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updated Jun 3, 2020
Fix mapping files so they start by
[ molecule ]
#117
by jbarnoud
was merged Sep 25, 2018
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updated Jun 3, 2020
Add the -ss option to martinize2
#114
by jbarnoud
was merged Sep 26, 2018
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updated Jun 3, 2020
Update the vdw radii to the ones from Bondi
#119
by jbarnoud
was merged Sep 26, 2018
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updated Jun 3, 2020
Avoid directly calling fixtures
#163
by jbarnoud
was merged Nov 15, 2018
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updated Jun 3, 2020
Remove deadline for test_maximum_common_subgraph
#174
by jbarnoud
was merged Jan 22, 2019
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updated Jun 3, 2020
Remove unused deferred_file.py
#173
by jbarnoud
was merged Jan 22, 2019
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updated Jun 3, 2020
Add tests for the SetMoleculeMeta processor
#182
by jbarnoud
was merged Feb 13, 2019
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updated Jun 3, 2020
Augments the docstring of name_moltype.py
#190
by jbarnoud
was merged Feb 19, 2019
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updated Jun 3, 2020
Less scary disclaimer in the README
#188
by jbarnoud
was merged Feb 19, 2019
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updated Jun 3, 2020
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