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17 Open 126 Closed
17 Open 126 Closed
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Issues list

[BUG] OpenMMPMEFEP files have the wrong extension bug Something isn't working
#317 opened Jun 3, 2025 by lohedges
@lohedges
[BUG] Don't scale kappa for decoupling lambda schedule bug Something isn't working
#316 opened May 27, 2025 by lohedges
Option to create an OpenMM system rather than context enhancement New feature or request
#315 opened May 27, 2025 by lohedges
@lohedges
[BUG] Pressure and grand canonical term in energy trajectory bug Something isn't working
#314 opened May 27, 2025 by lohedges
@lohedges
Add support for MonteCarloMembraneBarostat in Sire-to-OpenMM cresset related to work with cresset enhancement New feature or request
#313 opened May 19, 2025 by lohedges
RMSD restraints in sire
#309 opened Apr 28, 2025 by BenTanYK
[BUG] More reduced box vector hell bug Something isn't working
#305 opened Feb 27, 2025 by mark-mackey-cresset
1
@lohedges
18
[BUG] GroTop parser can't handle negative residue numbers bug Something isn't working
#304 opened Feb 25, 2025 by lohedges
1
@lohedges
5
[BUG] Sire selection allows out-of-bounds indexing of molecules bug Something isn't working
#286 opened Feb 10, 2025 by lohedges
@lohedges
2
[BUG] Windows CI build is failing bug Something isn't working
#268 opened Dec 16, 2024 by lohedges
3
debug mode for alchemical trajectory analyses enhancement New feature or request
#231 opened Sep 13, 2024 by jmichel80
1
[BUG] Trajectories are not properly stored after mols.delete_all_frames() is called. bug Something isn't working
#218 opened Jul 25, 2024 by mb2055
23
[BUG] SOMD "charge difference" option only works from the command-line bug Something isn't working
#212 opened Jul 24, 2024 by lohedges
Add trajectory sorting function
#191 opened Apr 27, 2024 by chryswoods 2024.3.0
[BUG] Update cmake version as upcoming deprecation bug Something isn't working
#184 opened Mar 31, 2024 by chryswoods 2024.3.0
2
Add support for reading Gromacs FEP topology files enhancement New feature or request
#169 opened Feb 23, 2024 by chryswoods 2024.3.0
2
somd-freenrg crashes when ligand atoms are completely non-interacting bug Something isn't working
#100 opened Aug 25, 2023 by fjclark 2024.3.0
26
ProTip! Exclude everything labeled bug with -label:bug.