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

identifying principal component from CPPTRAJ results #11

Open
jimfeng9705 opened this issue Dec 1, 2024 · 0 comments
Open

identifying principal component from CPPTRAJ results #11

jimfeng9705 opened this issue Dec 1, 2024 · 0 comments

Comments

@jimfeng9705
Copy link

Four data files were generated after CPPTRAJ analysis:
evecs.dat (Evecs file): myEvecs
%eigenvec.dat (Standard Data File): XEVAL_00007[Frac] XEVAL_00007[Cumulative] XEVAL_00007[Eigenval]
project.dat (Standard Data File): Mode1 Mode2 Mode3
helices.nmd (NMwiz output)

How can we generate Figure 6D in your paper? How to identify representative model in each cluster?
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
@jimfeng9705