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.

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

Potential bug in the assignment of fixed positions to chains #96

Open
ahof1704 opened this issue Oct 6, 2024 · 0 comments
Open

Potential bug in the assignment of fixed positions to chains #96

ahof1704 opened this issue Oct 6, 2024 · 0 comments

Comments

@ahof1704
Copy link

ahof1704 commented Oct 6, 2024

I think the indices for the fixed positions should be for chain B here, no?

        self.fixed_res = {
            self.chains[0]: fixed_list,
            self.chains[1]: []
        }

As it is, it seems to be assigning the fixed positions to chain A, while everywhere else we assume chain A contains the binder. Please let me know if I am misunderstanding this.

Thank you for the great resource!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant