Skip to content

Issues: Amber-MD/pytraj

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

34 Open 239 Closed
34 Open 239 Closed
Author
Filter by author
Label
Filter by label
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Milestones
Filter by milestone
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

nh_order_parameters bug
#1653 opened May 4, 2024 by keebborg
@hainm
pmap parallel error
#1651 opened Mar 27, 2024 by groponp
6
pytraj segmentation fault with cython 3.0 and cpptraj commit f1d21f688de5ea5c55e650abe6efdbc352bdc613
#1648 opened Dec 21, 2023 by hainm
1
pytraj.plot module not found
#1646 opened Dec 14, 2023 by muhammadammarzahid
2
Make binary wheel for pytraj?
#1645 opened Dec 8, 2023 by hainm
5
hbond pmap_mpi output format improvement
#1644 opened Dec 5, 2023 by Llauset
7
Installation error of pytraj with pip
#1629 opened Apr 9, 2023 by RajarshiRay25
4
calculated basepair matches in pytraj
#1627 opened Mar 27, 2023 by cloudella48
2
wrong major groove calculation
#1626 opened Mar 20, 2023 by cloudella48
8
Support trajin -type option for loading trajectory? new_options
#1621 opened Jan 12, 2023 by hainm
@hainm
Incorrect box dimensions when writing .rst7 from .dcd
#1620 opened Dec 24, 2022 by tuckerburgin
4
Amber22 installation: "source /home/xxxx/amber22/amber.sh" and "make test.serial" errors
#1619 opened Dec 13, 2022 by ursulap
4
Build pytraj error when installing Amber22
#1618 opened Dec 10, 2022 by ursulap
3
write_traj problem when selecting a mask and specific frames bug
#1616 opened Oct 11, 2022 by krlitros87
1
Having a new error. I tried some solutions but didn't work.
#1613 opened Sep 14, 2022 by jafarhayat
1
TypeError: no default __reduce__ due to non-trivial __cinit__ pmap/watershell
#1612 opened Aug 31, 2022 by krlitros87
6
Several vulnerabilities in the C library which pytraj depends on. Could you help upgrade to patch versions?
#1607 opened Apr 5, 2022 by JoeGardner000
3
Error with derived trajectories bug
#1606 opened Mar 28, 2022 by thepoole
1
Error in output when writing to .rst7 file
#1604 opened Mar 17, 2022 by sbkoby23
9
Reporting issue as installer requests
#1601 opened Mar 6, 2022 by swettrj
2
dihedralrms
#1600 opened Feb 10, 2022 by hainm
Add multipucker action
#1599 opened Feb 10, 2022 by hainm
2
Using masks with numeric residues?
#1593 opened Jan 12, 2022 by markperri
15
RMSD perres ignoring ions
#1580 opened Jun 3, 2021 by d-beltran
4
SuppressErrorMsg does not work properly
#1568 opened Feb 3, 2021 by hainm
ProTip! Type g p on any issue or pull request to go back to the pull request listing page.