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Pull requests: marrink-lab/polyply_1.0
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Implementation of the GEN_FF workflow
wait_for_vermouth
This PR is waiting for new release of vermouth/martinize
#383
opened Aug 14, 2024 by
fgrunewald
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[4] Implement frame based backmapping
DNA_extension
Part of the DNA extension project
#341
opened Aug 15, 2023 by
jan-stevens
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[3] Prepare support for multiple backmapping protocols
DNA_extension
Part of the DNA extension project
#340
opened Aug 15, 2023 by
jan-stevens
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Convert itp files to ff files
enhancement
New feature or request
#327
opened Jun 16, 2023 by
fgrunewald
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7 of 9 tasks
[2] Add/ol21
DNA_extension
Part of the DNA extension project
#301
opened Feb 8, 2023 by
fgrunewald
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1 task done
raise warning if geometry is out of bounds
enhancement
New feature or request
#270
opened Sep 7, 2022 by
fgrunewald
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update links for abitrary ether vinyl combinations
#216
opened Apr 23, 2022 by
fgrunewald
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1 of 4 tasks
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