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Pull requests: marrink-lab/vermouth-martinize

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Pull requests list

IDR cross interaction removal
#764 opened Apr 17, 2026 by csbrasnett Collaborator Loading…
Inherit existing virtual_sites* interactions for Go virtual sites
#751 opened Dec 12, 2025 by Lp0lp Collaborator Loading…
1
Add 4 virtual sites to Gō models for intra- and inter-molecular bond distinction
#745 opened Nov 21, 2025 by niek-fraaije Loading…
5
contact_map.py optimization and added writing *.gro as ouput in martinize2
#733 opened Sep 17, 2025 by tavolivos Loading…
19
Issue 584
#595 opened May 6, 2024 by pckroon Member Loading…
1
SEQRES parsing
#576 opened Feb 28, 2024 by csbrasnett Collaborator Loading…
35
First draft of a ProcessorPipeline hacktoberfest-accepted Accepted Hacktoberfest contribution
#552 opened Oct 17, 2023 by pckroon Member Loading…
Add support for oxDNA file parsing
#536 opened Aug 17, 2023 by jan-stevens Member Loading…
8
Comments
#460 opened Sep 6, 2022 by fgrunewald Member • Draft
3
Fix/links dict
#443 opened Jul 6, 2022 by fgrunewald Member Loading…
35
add draft for ff-output
#442 opened Jul 6, 2022 by fgrunewald Member Loading…
14
(re-)Implement GMX RTP parser using lark-parser
#359 opened Apr 8, 2021 by pckroon Member • Draft
2
First version of coordinate generatign processor
#328 opened Dec 11, 2020 by Tsjerk Collaborator Loading…
51
Processor multiprocessing
#233 opened Mar 4, 2020 by mjtadema Contributor Loading…
7
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