Skip to content

Issues: openmm/openmm

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

449 Open 2,228 Closed
449 Open 2,228 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Extremely high temperatures - NVT - LangevinMiddleIntegrator - Energy is NaN
#4575 opened Jun 27, 2024 by NooraAz
2
Create 8.1.2 patch
#4572 opened Jun 25, 2024 by peastman
Reset simulation step counter
#4571 opened Jun 25, 2024 by asiomchen
1
Better way to save structure
#4570 opened Jun 25, 2024 by asiomchen
1
Minimization
#4568 opened Jun 24, 2024 by Toni0914
4
Discrepancy in Reaction Field (RF) Implementation between OpenMM and GROMACS
#4567 opened Jun 24, 2024 by ZhuDaoScience
9
Can I add Coarse grain water molecule similar like SIRAH ff using OpenMM??
#4565 opened Jun 24, 2024 by ARKAtheVLOGGER
1
Recommended approach to writing out a subset of atoms with XTCReporter/DCDReporter? enhancement
#4564 opened Jun 21, 2024 by sukritsingh
4
OpenMM ForceFields GAFF Templates Generator - how to overwrite
#4563 opened Jun 21, 2024 by maciejwisniewski-drugdiscovery
1
Calculate forces outside OpenMM, run integrator in OpenMM?
#4562 opened Jun 20, 2024 by aizvorski
4
JI/DIIS polarization
#4559 opened Jun 18, 2024 by Fbattisti
1
Inquiry about code of conduct pertaining to collaborating with company
#4558 opened Jun 14, 2024 by hancheng-Lab
1
Issue in running openmm with gromacs files
#4557 opened Jun 6, 2024 by LipikaBaidya
2
Building a membrane without a protein using Modeller.addMembrane()
#4556 opened Jun 6, 2024 by JHoeflich1
1
OpenMM in FP16 or FP8 floating-point precision
#4553 opened Jun 1, 2024 by razvanmarinescu
9
No template found for residue
#4550 opened May 29, 2024 by pradipchm
8
Problems loading small molecular ligand PDBs with duplicate atom names
#4549 opened May 28, 2024 by 4li77l3n00b
4
Incorrect Potential Energy with MonteCarloFlexibleBarostat
#4548 opened May 27, 2024 by wutobias
5
Modelling System with Peptide
#4547 opened May 27, 2024 by maciejwisniewski-drugdiscovery
1
Pair-Energy Reporter in OpenMM
#4546 opened May 25, 2024 by SHervoe-Hansen
1
Numerical problem causing NaN in energy calculation of CustomNonbondedForce
#4545 opened May 22, 2024 by WangXinyan940
1
big energy expression leads to wrong energies with GPU
#4544 opened May 22, 2024 by gorgW
3
Interaction energy
#4543 opened May 22, 2024 by maciejwisniewski-drugdiscovery
3
Which charmm36 forcefield version is loaded by default? documentation
#4542 opened May 15, 2024 by HerdOfBears
3
OpenMMException: Particle coordinate is nan when multiple GPUs are used
#4540 opened May 14, 2024 by ryankzhu
6
ProTip! no:milestone will show everything without a milestone.