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

cli-abfe -nosubmit #32

Open
raweru opened this issue Oct 31, 2024 · 0 comments
Open

cli-abfe -nosubmit #32

raweru opened this issue Oct 31, 2024 · 0 comments

Comments

@raweru
Copy link

raweru commented Oct 31, 2024

cli-abfe -p ./data/CyclophilinD_min/receptor.pdb
-l "./data/CyclophilinD_min/ligands"
-nr 1 -njr 1 -njl 1 -o /path/ABFE_workflow/examples/data/CyclophilinD_min/output -nosubmit

this will submit jobs, without -nosubmit it wont submit. It is probably meant the other way around.

works okay with cli-abfe-gmx
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
No milestone
Development

No branches or pull requests
1 participant
@raweru