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36 Open 54 Closed
36 Open 54 Closed
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Issues list

ValueError: could not convert string to float: 'Polarization'
#298 opened May 31, 2024 by heman3333
Encountering error while attempting to fit ab initio data using GROMACS for periodic systems.
#297 opened May 9, 2024 by wasayMudassir
1
ForceBalance is taking very long time over 1 day
#296 opened Jan 21, 2024 by okbckim
3
runcuda.sh overwrites environment variables
#284 opened Jun 14, 2023 by lilyminium
3
ForceBalance takes really long to complete
#275 opened Nov 18, 2022 by rvkrishnan30
2
Pymbar 4 compatibility
#260 opened Jul 28, 2022 by jthorton
3
Computing FD gradient of angle with OpenMM 7.7.0
#258 opened May 1, 2022 by SimonBoothroyd
(not urgent) single parameter optimization with workers fails
#244 opened Sep 28, 2021 by pavankum
1
Forcebalance fails to read some xyz files containing coordinates in scientific notation
#233 opened Aug 23, 2021 by mark-mackey-cresset
2
Liquid.pdb: Sizes detected: {3, 6} and the PBC
#232 opened Aug 20, 2021 by bieniekmateusz
Close files after opening in Molecule
#212 opened Apr 1, 2021 by origamimantis
2
Manual Suggestions
#211 opened Mar 23, 2021 by misterbrandonwalker
6
Hessian in TorsionTarget?
#207 opened Mar 15, 2021 by mkrompiec
3
Add way to check for tinkerpath in enviorment, if masterhost and worker nodes have different tinkerpaths
#205 opened Mar 12, 2021 by misterbrandonwalker
2
To-do items for Github Actions CI
#199 opened Jan 21, 2021 by leeping
1
Dielectric constant
#185 opened Jul 31, 2020 by Anthoni-Alcaraz
OpenMM Tabulated Function
#175 opened Mar 23, 2020 by benbattraw
Resolve namespace conflict between engine and target
#155 opened Aug 3, 2019 by leeping
TorsionProfile target needs a feature for user-input torsion indices
#154 opened Aug 3, 2019 by leeping
How to create all.gro
#143 opened Jun 24, 2019 by qasimpars
1
Calculation of heats of vaporization & other properties
#138 opened Jun 1, 2019 by leeping
Update documentation with current python version
#127 opened Dec 19, 2018 by jmaat
Implement test based on liquid properties using stored data
#125 opened Dec 17, 2018 by j-wags
Dependencies missing in setup.py
#113 opened May 17, 2018 by mohebifar
1
OpenMM loading PDB error matching water residue
#106 opened Feb 23, 2018 by yudongqiu
2
ProTip! Exclude everything labeled bug with -label:bug.