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kassonlab / run_brer

Python package for running bias-resampling ensemble refinement (BRER) simulations
GNU Lesser General Public License v2.1
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Rb24 #28

Closed carolinedav closed 2 years ago

carolinedav commented 2 years ago

Updated run_config.py to stop premature phase advancement.

eirrgang commented 2 years ago

The first commit looks good. Do you have a corresponding change to the brer plugin code? Or would you like me to do that?

carolinedav commented 2 years ago

I do! I cloned and forked the brer_plugin repo and added the changes there, pushed it to a new cnd7cy branch (let me know if you want me to change the branch name, I was unsure of the github forked repo ~ lingo ~)

eirrgang commented 2 years ago

I do! I cloned and forked the brer_plugin repo and added the changes there, pushed it to a new cnd7cy branch

Thanks! Reviewing now.

(let me know if you want me to change the branch name, I was unsure of the github forked repo ~ lingo ~)

That's fine. That branch is on your repository, so you can name it whatever you want. For your own sanity, though, you might prefer to name it after the issue number or description. But you will presumably delete the branch once the PR is merged, so it's up to you.

If you try to rename the branch, though, you'll have to open a new PR, I expect. So don't change it now. :-)

carolinedav commented 2 years ago

We resolved #19, which I believe this PR is attributed to. Could we remove/close this PR?

eirrgang commented 2 years ago

We resolved #19, which I believe this PR is attributed to. Could we remove/close this PR?

Two fixes got mixed up in the source branch, but I think they've been disentangled. However, there isn't much left of the change targeting #24, and both the conversation and git history are muddled at this point. I'll close the PR and remove the branch, and we can make a fresh start. :-)