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

How to generate the plumed_*.dat files used for simulation? #3

Open

ackbar03 opened this issue Dec 15, 2022 · 0 comments

ackbar03 commented Dec 15, 2022

Hi,

If i want to run AF2rave on some other target molecule, how do I generate the plumed_*.dat used in the plumed simulations?

i.e. the files:
plumed_AF2.dat
plumed_biased.dat
plumed_unb.dat

What tool was used to generate these files? Also, what are the differences between them?

Thanks!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment