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

Add boresch-specific custom bonded force #765

Open

ijpulidos opened this issue Dec 17, 2024 · 0 comments

Contributor

ijpulidos commented Dec 17, 2024

From OpenFreeEnergy/openfe#1043 it seems pertinent that we should probably add Boresch type of forces/restraints to openmmtools. Specifically what's in https://github.com/OpenFreeEnergy/openfe/pull/1043/files#diff-68c88a73730daf2c6de3f437f3ecad927ff3b31f9235bddd6db4877e2521def4

@IAlibay Please add more details as needed here. Thanks!

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