-
Notifications
You must be signed in to change notification settings - Fork 23
Issues: openforcefield/openff-interchange
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.
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
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Add Relating to files or programs in the Amber suite
feedback needed
Could use feedback from users
Interchange.to_amber
amber
#1038
opened Aug 16, 2024 by
mattwthompson
GROMACS Residue IDs not incremented when writing multiple copies of a unique molecule
bug
Something isn't working
gromacs
relating to GROMACS
#1028
opened Aug 7, 2024 by
mattwthompson
Support writing to file-like objects
good first issue
Good for newcomers
#1001
opened Jul 9, 2024 by
mattwthompson
Make Seeking input from the community
question
Further information is requested
Interchange.topology
required?
help wanted
#994
opened Jun 18, 2024 by
mattwthompson
experimental/openmmforcefields/gaff.ipynb
is failing on openff-docs
#977
opened Apr 26, 2024 by
Yoshanuikabundi
Interchange.to_gromacs() creates a topology with far too many atomtypes, which influences GROMACS performance
gromacs
relating to GROMACS
#961
opened Apr 9, 2024 by
pbuslaev
Improved LAMMPS support.
good first issue
Good for newcomers
lammps
Relating to LAMMPS
#955
opened Apr 3, 2024 by
mrshirts
Positions of
MonovalentLonePair
virtual sites is incorrect (does not affect simulations)
#939
opened Mar 20, 2024 by
Yoshanuikabundi
[LAMMPS] Full unit-awareness when parsing LAMMPS outputs with drivers
lammps
Relating to LAMMPS
#902
opened Feb 14, 2024 by
timbernat
Better support bond constraints in LAMMPS export
feedback needed
Could use feedback from users
lammps
Relating to LAMMPS
#892
opened Feb 7, 2024 by
mattwthompson
Support LJPME in GROMACS export
gromacs
relating to GROMACS
#850
opened Nov 21, 2023 by
mattwthompson
Let users specify LAMMPS data file path in Relating to LAMMPS
MDConfig.write_lammps_input
lammps
#806
opened Sep 8, 2023 by
mattwthompson
Previous Next
ProTip!
Add no:assignee to see everything that’s not assigned.