Skip to content
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

Jump to bottom

Implement the new solvents (cyclohexane, toluene) in all scripts #231

Open
iorga opened this issue Jan 20, 2023 · 0 comments
Open

Implement the new solvents (cyclohexane, toluene) in all scripts #231

iorga opened this issue Jan 20, 2023 · 0 comments
Milestone
1.0

Comments

@iorga
Copy link
Collaborator

iorga commented Jan 20, 2023

Currently some scripts (e.g. mdpow-rebuild-fep) do not have implemented the new solvents (cyclohexane, toluene). All solvents should be implemented (water, octanol, cyclohexane, toluene) should be implemented in all scripts.
@iorga iorga added this to the 0.8.0 milestone Jan 20, 2023
@orbeckst orbeckst modified the milestones: 0.8.0, 0.9.0 Feb 12, 2023
@orbeckst orbeckst modified the milestones: 0.9.0, 1.0 Oct 11, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
1.0
Development

No branches or pull requests
2 participants
@orbeckst @iorga