-
Notifications
You must be signed in to change notification settings - Fork 8
Issues: shirtsgroup/cg_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.
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
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Fix configurational state heat capacities for low population fractions
#147
opened Apr 13, 2022 by
cwalker7
Make the native contact symmetry checks more general
enhancement
New feature or request
#143
opened Dec 20, 2021 by
cwalker7
Add uncertainties in partial heat capacity function
knots paper
#141
opened Dec 20, 2021 by
cwalker7
Make heat capacity code more modular
enhancement
New feature or request
#140
opened Dec 20, 2021 by
cwalker7
Implement more general angle and torsion types for heteropolymers
enhancement
New feature or request
#134
opened Sep 14, 2021 by
cwalker7
Allow multiple angle styles in one system
enhancement
New feature or request
#131
opened Aug 23, 2021 by
cwalker7
revisit the xml writer
For release
This needs to be addressed before first code release
#116
opened Mar 1, 2021 by
cwalker7
add linting to CI
For release
This needs to be addressed before first code release
#115
opened Feb 26, 2021 by
cwalker7
list of quantities vs. quantity with list as value
Discussion
A topic to be discussed
#103
opened Dec 2, 2020 by
cwalker7
Add function for restarting a replica exchange simulation
enhancement
New feature or request
#97
opened Nov 16, 2020 by
cwalker7
Add option to suppress openmmtools and pymbar warnings
For release
This needs to be addressed before first code release
#93
opened Nov 12, 2020 by
cwalker7
Allow for certain angle types to use 1-3 nonbonded interactions instead of harmonic angles
enhancement
New feature or request
#87
opened Oct 22, 2020 by
cwalker7
Remove extra loop in calculating average energies.
Future
Longer-term update after first foldamers papers
#85
opened Oct 7, 2020 by
mrshirts
Negative weights for conformational state expectation in free energy calculation
#83
opened Sep 23, 2020 by
cwalker7
Previous Next
ProTip!
Exclude everything labeled
bug
with -label:bug.