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

Can you provide the solution to parse pdb from the xtc file in the Spike-MD case #3

Open
Qmi3 opened this issue Nov 25, 2024 · 0 comments
Open

Can you provide the solution to parse pdb from the xtc file in the Spike-MD case #3

Qmi3 opened this issue Nov 25, 2024 · 0 comments

Comments

@Qmi3
Copy link

Qmi3 commented Nov 25, 2024

I searched in the reference paper but cannot find avaliable top file which contains the same number of atom with the xtc file. The mapping from image to conformation is also missing for the part of data. Thank you
@Qmi3 Qmi3 changed the title Can you provide the solution to parse pdb from the xtc file in the Spike-MD cases. Can you provide the solution to parse pdb from the xtc file in the Spike-MD case Nov 25, 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
No milestone
Development

No branches or pull requests
1 participant
@Qmi3