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23 Open 3 Closed
23 Open 3 Closed
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Issues list

Easy access to non-hybrid topologies for endstates
#34 opened Sep 25, 2024 by tlhr
2
nsteps is incorrectly obtained from the NetCDF file
#33 opened Sep 17, 2024 by IAlibay
Analysis does not work properly for proteins with multiple chains
#30 opened Apr 25, 2024 by hannahbaumann
Using symmetry corrected RMSD for ligands
#24 opened Oct 17, 2023 by IAlibay
User defined host alignment selection
#23 opened Oct 17, 2023 by IAlibay
prolif hook
#22 opened Oct 9, 2023 by richardjgowers
Dataset is not pickable (FEReader)
#21 opened Sep 29, 2023 by hannahbaumann
2
Correlation coefficient between dynamic and thermodyamic properties
#18 opened Aug 11, 2023 by jameseastwood
Visual inspection
#17 opened Aug 11, 2023 by jameseastwood
Water density analysis
#16 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Ion analysis
#15 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Water Bridges
#14 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Force field details
#13 opened Aug 11, 2023 by jameseastwood
@richardjgowers @IAlibay
Binding Site Rotational Analysis
#12 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Torsion Sampling
#11 opened Aug 11, 2023 by jameseastwood
1
@RiesBen
2
Cycle closure analysis
#10 opened Aug 11, 2023 by jameseastwood
@dwhswenson @hannahbaumann
FE convergence
#8 opened Aug 11, 2023 by jameseastwood
@mikemhenry @IAlibay
RE-RoundTrips
#7 opened Aug 11, 2023 by jameseastwood
@mikemhenry @IAlibay
Protein-ligand contact analysis
#6 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Energy distribution overlap
#5 opened Aug 11, 2023 by jameseastwood
@mikemhenry @IAlibay
Ligand RMSF
#3 opened Aug 11, 2023 by jameseastwood
@richardjgowers
Protein RMSD
#2 opened Aug 11, 2023 by jameseastwood
@richardjgowers
1
Ligand RMSD
#1 opened Aug 11, 2023 by jameseastwood
@richardjgowers
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