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

Short NAMD2 sims. #1

Open
adw62 opened this issue Sep 16, 2021 · 0 comments
Open

Short NAMD2 sims. #1

adw62 opened this issue Sep 16, 2021 · 0 comments
Assignees
@adw62
Labels
bug Something isn't working

Comments

@adw62
Copy link
Collaborator

adw62 commented Sep 16, 2021

If NAMD2 simulations are made arbitrarily short they will break when the simulation length becomes shorter than the restart frequency. To fix this restart frequency, dcd frequency etc should all be made a function of equilibriation and production simulation lengths.
@adw62 adw62 added the bug Something isn't working label Sep 16, 2021
@adw62 adw62 self-assigned this Sep 16, 2021
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@adw62 adw62

Labels
bug Something isn't working
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@adw62