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Pull requests: marrink-lab/polyply_1.0
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update links for abitrary ether vinyl combinations
#216
opened Apr 23, 2022 by
fgrunewald
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updated Apr 23, 2022
1 of 4 tasks
raise warning if geometry is out of bounds
enhancement
New feature or request
#270
opened Sep 7, 2022 by
fgrunewald
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updated Sep 12, 2022
Contribute PVA OPLS-AA/LigParGen .ff file
#324
opened May 24, 2023 by
ricalessandri
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updated Jun 12, 2023
[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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updated Aug 21, 2023
[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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updated Dec 21, 2023
Contribute OPLS/CM1A (LigParGen) model for PMMA
#360
opened Feb 19, 2024 by
ricalessandri
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updated Feb 19, 2024
Contribute OPLS/CM1A (LigParGen) model for PS
#361
opened Feb 27, 2024 by
ricalessandri
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updated Feb 27, 2024
Convert itp files to ff files
enhancement
New feature or request
#327
opened Jun 16, 2023 by
fgrunewald
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updated Mar 20, 2024
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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updated Jun 6, 2024
1 task done
Add [10.1021/jacsau.4c00276] polymers to the polyply library
#378
opened Jul 6, 2024 by
ricalessandri
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updated Jul 8, 2024
1 of 3 tasks
Implementation of the GEN_FF workflow
#383
opened Aug 14, 2024 by
fgrunewald
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updated Nov 21, 2024
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