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

Write initial initial and final structures in subdir #1205

Open

ijpulidos opened this issue Jun 13, 2023 · 0 comments

Assignees

Labels

enhancement ✨

Milestone

0.11.0: New top-l...

Contributor

ijpulidos commented Jun 13, 2023

We want to write the PDBs for the initial and final states of the simulation in the subdirectory where the openmm systems live (XML subdir).

ijpulidos added the enhancement ✨ label

ijpulidos added this to the 0.10.3 - Bugfix release milestone

ijpulidos self-assigned this

ijpulidos modified the milestones: 0.10.3 - Bugfix release, 0.11.0: New top-level API

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