Skip to content

Issues: graeter-group/kimmdy

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

36 Open 158 Closed
36 Open 158 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

pairs not updated during bond rupture of CG polymer
#462 opened Jul 22, 2024 by caapontes
Restart does not load radical state correctly. bug Something isn't working
#461 opened Jul 19, 2024 by KRiedmiller
truncate_sim_files for "just reactions on a precomputed trajectory" fails due to working directory issues bug Something isn't working
#459 opened Jul 10, 2024 by jmbuhr
2
topology keys datatype
#455 opened Jul 3, 2024 by jmbuhr
9
Rates unit
#450 opened Jun 25, 2024 by ehhartmann
1
small improvements
#447 opened Jun 25, 2024 by jmbuhr
1 of 7 tasks
Feedback on the tutorial documentation Improvements or additions to documentation
#443 opened Jun 17, 2024 by caapontes
Plumed file changes shouldnt be hardcoded
#442 opened Jun 17, 2024 by ehhartmann
2
can't parse newer charmm ff topologies
#434 opened Jun 7, 2024 by ehhartmann
add hydrolysis as example reaction plugin Priority
#426 opened Apr 17, 2024 by jmbuhr
@jmbuhr
fix: slow growth parameter changes ignores some nb pairs
#421 opened Mar 25, 2024 by ehhartmann
analysis trjcat gro doesn't match xtc bug Something isn't working
#416 opened Mar 21, 2024 by KRiedmiller
radical_population analysis zero div error bug Something isn't working
#412 opened Mar 18, 2024 by KRiedmiller
CG test system not running Priority
#407 opened Mar 5, 2024 by ehhartmann
2 tasks
Collagen fibril test system not running Priority
#405 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
Ethyl test system not running Priority
#404 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
1
kimmdy logfile linking hardcoded
#400 opened Mar 1, 2024 by ehhartmann
undefined module in tutorial
#398 opened Mar 1, 2024 by jmbuhr
1
Parse aminoacids.rtp bondedtypes information
#386 opened Feb 26, 2024 by ehhartmann
hat_reaction changing kmc type not intuitive
#385 opened Feb 23, 2024 by emerbitz
4
Amino acid histidine not correctly handled by KIMMDY
#384 opened Feb 23, 2024 by emerbitz
4
topology removes ifdef posres
#381 opened Feb 23, 2024 by KRiedmiller
topology.find_radical() naming is misguiding papercut Bug without major malfunctions
#374 opened Feb 20, 2024 by ehhartmann
Apply_recipe task info should write whether the printed numbers are ix or id
#372 opened Feb 19, 2024 by ehhartmann
Pass bond parameters from topology to homolysis plugin
#368 opened Feb 15, 2024 by ehhartmann
ProTip! What’s not been updated in a month: updated:<2024-06-22.