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32 Open 62 Closed
32 Open 62 Closed
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Issues list

Repo does not match 0.6.1
#163 opened Oct 8, 2024 by stianale
1
MELD DNA system indexing error
#162 opened Aug 28, 2024 by tkdoesntgetcomputers
MELD-DNA
#161 opened Jan 11, 2024 by stianale
12
RunOptions dataclass uses mutable default value
#160 opened Dec 9, 2023 by jakirkham
3
can't find CUB library
#158 opened Oct 16, 2023 by ccccclw
10
Fail to build plugin
#156 opened Oct 11, 2023 by ajithperera
'RunOptions' object has no attribute 'solvation' when using extract_traj_dcd
#153 opened Sep 8, 2023 by atbogetti
1
Installation of MELD on ubuntu 22.04 (Cuda 12.0)
#151 opened Jul 20, 2023 by damax34
error while running launch_remd
#149 opened May 17, 2023 by yoavatsmonraz
5
Suggestion : Add nucleotide forcefields to parser - OL3 for RNA and DNA.OL15 for DNA
#148 opened May 13, 2023 by yoavatsmonraz
4
trying to use cryofold 2 - "RuntimeError: Unknown scaler type "linear_blur"
#147 opened May 13, 2023 by yoavatsmonraz
1
building system from amber files
#145 opened Mar 13, 2023 by doesm
6
Issue Running MELD
#133 opened Sep 19, 2022 by nd346
49
Add support to generate velocities enhancement
#132 opened Jul 20, 2022 by splenz
Update tutorials
#120 opened Mar 23, 2022 by jlmaccal
@splenz
setup single GPU
#116 opened Feb 10, 2022 by aspitaleri
5
SLURM 21.08.4 breaks MELD
#114 opened Jan 14, 2022 by ca-taylor
10
Extend simulation length
#110 opened Nov 9, 2021 by ccccclw
Optimize handling of peak mappings enhancement
#109 opened Nov 9, 2021 by jlmaccal
@jlmaccal
Add utility functions for secondary structure / torsions enhancement
#106 opened Nov 8, 2021 by jlmaccal
@ccccclw
3
Fix slow minimization
#98 opened Aug 25, 2021 by jlmaccal
Force field selection enhancement
#97 opened Aug 19, 2021 by alberto99
3
MELD Force direction issue in the reference platform
#95 opened May 29, 2021 by frank-stonybrook
18
Add error checking to Reference plugin enhancement
#92 opened May 22, 2021 by jlmaccal
Monte Carlo should be easier to setup enhancement
#91 opened May 20, 2021 by jlmaccal
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