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Pull requests: marrink-lab/polyply_1.0

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Pull requests list

Fix parsing of fasta files for RNA
#422 opened May 15, 2025 by lgruenewald Loading…
Building dsDNA using frame-based forward mapping
#416 opened Apr 10, 2025 by jan-stevens Loading…
10
use vermouth default citations vermouth_vs_polyply things that are the same but are not wait_for_vermouth This PR is waiting for new release of vermouth/martinize
#413 opened Apr 7, 2025 by fgrunewald Loading…
6
Implementation of the GEN_FF workflow
#383 opened Aug 14, 2024 by fgrunewald Loading…
9
Cgsmiles 1
#377 opened Jul 3, 2024 by fgrunewald Loading…
3
Contribute OPLS/CM1A (LigParGen) model for PS
#361 opened Feb 27, 2024 by ricalessandri Loading…
Contribute OPLS/CM1A (LigParGen) model for PMMA
#360 opened Feb 19, 2024 by ricalessandri Loading…
[4] Implement frame based backmapping DNA_extension Part of the DNA extension project
#341 opened Aug 15, 2023 by jan-stevens Loading…
6
[3] Prepare support for multiple backmapping protocols DNA_extension Part of the DNA extension project
#340 opened Aug 15, 2023 by jan-stevens Loading…
8
Convert itp files to ff files enhancement New feature or request
#327 opened Jun 16, 2023 by fgrunewald Loading…
7 of 9 tasks
36
Contribute PVA OPLS-AA/LigParGen .ff file
#324 opened May 24, 2023 by ricalessandri Loading…
2
[2] Add/ol21 DNA_extension Part of the DNA extension project
#301 opened Feb 8, 2023 by fgrunewald Loading…
1 task done
1
Sang nanoparticle
#286 opened Nov 29, 2022 by MDSYN2019 Loading…
37
raise warning if geometry is out of bounds enhancement New feature or request
#270 opened Sep 7, 2022 by fgrunewald Loading…
15
Tool wrapper
#265 opened Sep 2, 2022 by fgrunewald • Draft
Merge top
#249 opened Aug 3, 2022 by fgrunewald Loading…
10
Fix/214
#248 opened Aug 2, 2022 by fgrunewald • Draft
4
update links for abitrary ether vinyl combinations
#216 opened Apr 23, 2022 by fgrunewald Loading…
1 of 4 tasks
Fix/157
#161 opened Nov 5, 2021 by fgrunewald • Draft
8
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