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Issues list

alchemical_introduction tutorial is broken on try.openbiosim.org
#5 by jmichel80 was closed Dec 6, 2023
@lohedges
44
Not picking gpu
#24 by mayank-kohli was closed Aug 28, 2024
9
01_setup_abfe notebook crashes on try.openbiosim.org
#11 by akalpokas was closed Dec 13, 2023
8
Tutorial 1: 01_introduction/03_molecular_dynamics.ipynb broken with 2023.4
#17 by jmichel80 was closed Dec 7, 2023
7
Error in protein parameterization
#20 by mayank-kohli was closed Dec 12, 2023
1
5
Funnel metadynamics error
#22 by amarye was closed Jan 19, 2024
3
pdb4amber link in notebook 02 of the introduction is not working
#6 by ppxasjsm was closed Dec 6, 2023
3
Tutorial 1: 01_introduction/05_running_nodes.ipynb runtime error
#18 by jmichel80 was closed Dec 13, 2023
2
Type Error
#15 by mayank-kohli was closed Nov 29, 2023
2
Tutorial 04: 02_RBFE
#13 by mayank-kohli was closed Nov 17, 2023
2
Fail when running mamba install instructions
#7 by ppxasjsm was closed Dec 6, 2023
2
Broken links in TOCs of the notebooks
#1 by jmichel80 was closed Jul 25, 2023
2
[BUG] [ABFE] ignore_warning=True NOT WORK for lam_vals
#23 by ErikZhang-9762 was closed Feb 7, 2024
1
1
ABFE using openmm
#19 by mayank-kohli was closed Dec 11, 2023
1
ProTip! no:milestone will show everything without a milestone.