Skip to content

Issues: selimsami/qforce

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

15 Open 32 Closed
15 Open 32 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

CM5 charges differ from LigParGen implementation - ORCA?
#74 opened Jul 12, 2024 by mattiafelice-palermo
5
Feature Contribution: ABF Scan for MM PES in QForce
#71 opened Feb 20, 2024 by mattiafelice-palermo
8
Terminal hydrogens replaced with oxygen in GROMACS MD runs
#70 opened Jan 9, 2024 by mattiafelice-palermo
9
Support for AM1BCC charge
#69 opened Dec 20, 2023 by xiki-tempula
1
Support of external NN potentials
#64 opened Apr 3, 2023 by mmagithub
7
Saving AMBER prmtop files (or convert Gromacs top to AMBER formats)
#63 opened Mar 17, 2023 by mmagithub
9
issues with xtb-torsiondrive
#61 opened May 27, 2022 by selimsami
7
Help with running qforce - 3 issues
#59 opened May 19, 2022 by simonlichtinger
14
Using a ready made topology file instead of the Hessain calculation enhancement New feature or request
#40 opened Mar 15, 2022 by xiki-tempula
17
How to use the symmetrize bug Something isn't working
#37 opened Jan 21, 2022 by xiki-tempula
10
About the charge used in dihedral fitting
#31 opened Dec 21, 2021 by xiki-tempula
1
Make ORCA's method order independent
#26 opened Dec 8, 2021 by selimsami
Same fragments got computed twice
#23 opened Nov 24, 2021 by xiki-tempula
1
Add support for HMR
#19 opened Nov 15, 2021 by xiki-tempula
7
About the numbering after ~
#16 opened Nov 10, 2021 by xiki-tempula
4
ProTip! Adding no:label will show everything without a label.