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Issues: openforcefield/openff-interchange

Release 1.0 roadmap survey
#1157 by mattwthompson was closed Mar 6, 2025
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Issues list

Write [ constraints ] directive feedback needed Could use feedback from users gromacs relating to GROMACS help wanted Seeking input from the community
#1180 opened Mar 4, 2025 by mattwthompson
12
Constraints collection is not treated when writing GROMACS topology gromacs relating to GROMACS
#1178 opened Mar 3, 2025 by pbuslaev
@mattwthompson
5
Writing Interchange to GROMACS requires 1-indexed atom residues, writing to OpenMM does not gromacs relating to GROMACS
#1177 opened Feb 28, 2025 by joelaforet
@j-wags
1
Adjust charges written to GROMACS topology gromacs relating to GROMACS
#1166 opened Feb 12, 2025 by pbuslaev
1
@mattwthompson
4
Add examples of loading GROMACS topologies mixed with data from $GMXDATA gromacs relating to GROMACS
#1151 opened Jan 23, 2025 by mattwthompson
Position restraints in GROMACS files gromacs relating to GROMACS
#1135 opened Jan 10, 2025 by mattwthompson
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
4
Test round-tripping a protein-ligand complex with GROMACS gromacs relating to GROMACS
#669 opened Apr 20, 2023 by mattwthompson
@mattwthompson
Document atom type "explosion" problem, de-duplication of GROMACS molecules documentation Improvements or additions to documentation gromacs relating to GROMACS
#607 opened Mar 6, 2023 by mattwthompson
@mattwthompson
Angle energy mismatch between GROMACS and Amber amber Relating to files or programs in the Amber suite bug Something isn't working gromacs relating to GROMACS help wanted Seeking input from the community
#249 opened Jul 12, 2021 by mattwthompson
6
ProTip! What’s not been updated in a month: updated:<2025-03-28.