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16 Open 22 Closed
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Issues list

Creating a simple integration test suite enhancement New feature or request
#208 opened Dec 17, 2024 by batukav Release for software paper
Add flake8-naming for naming conventions check-up enhancement New feature or request
#207 opened Dec 16, 2024 by comcon1 Release for software paper
Support of gmx3: gmx trjconv and trjconv is selected depending on WARNINGS/GROMACS_VERSION enhancement New feature or request
#206 opened Dec 10, 2024 by comcon1
Software-specific branching in several places should be avoided. Branching must be enveloped somehow. enhancement New feature or request
#205 opened Dec 3, 2024 by comcon1
1
Make System to be dict-like class, add __repr__ to both System and SystemCollection enhancement New feature or request
#204 opened Dec 3, 2024 by comcon1 Release for software paper
1
Avoid using os.system and use subprocess interface instead enhancement New feature or request
#203 opened Dec 3, 2024 by comcon1 Release for software paper
Restructuring the repo enhancement New feature or request
#200 opened Aug 16, 2024 by batukav Release for software paper
9
Should we provide all trajectories having starting timestep to be zero? enhancement New feature or request
#195 opened Jun 20, 2024 by comcon1
@comcon1
13
Improve AddFile.py robustness enhancement New feature or request
#187 opened May 15, 2024 by comcon1 Release for software paper
Benchmark systems for membrane simulations enhancement New feature or request
#186 opened Apr 26, 2024 by ohsOllila
AddFile can count lipids improperly in MLs for highly dehydrated bilayers bug Something isn't working
#181 opened Apr 9, 2024 by comcon1
Create mapping file for Gb3 data mapping files, experiments, simulations
#169 opened Feb 8, 2024 by MelbourneFL
9
Improving mapping files for GM1 and cardiolipin, and creating a mapping file for PIP2 data mapping files, experiments, simulations
#151 opened Sep 22, 2023 by ohsOllila
@markussmiettinen
2
Improved sanity check for mapping file vs. data in AddData.py enhancement New feature or request
#150 opened Sep 15, 2023 by ohsOllila Release for software paper
Simulations with membrane normal in other than z-direction enhancement New feature or request wontfix This will not be worked on
#78 opened Jan 1, 2022 by ohsOllila
2
Isomer information in the databank enhancement New feature or request
#1 opened Mar 1, 2021 by ohsOllila
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