Skip to content

Fix: better test for MTS eABF#932

Merged
giacomofiorin merged 2 commits into
masterfrom
fix_eabf_mts_proxy
May 20, 2026
Merged

Fix: better test for MTS eABF#932
giacomofiorin merged 2 commits into
masterfrom
fix_eabf_mts_proxy

Conversation

@jhenin
Copy link
Copy Markdown
Member

@jhenin jhenin commented May 11, 2026

compare time step factor to proxy instead of 1
to enable again eABF with globalMasterFrequency

Fixes #931

compare time step factor to proxy instead of 1
to enable again eABF with globalMasterFrequency

Fixes #931
Copy link
Copy Markdown
Member

@giacomofiorin giacomofiorin left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

The fix itself looks good to me.

Are you okay if I add the proxy MTS factor to the error message before mergin?

@giacomofiorin giacomofiorin merged commit 9e1c6d1 into master May 20, 2026
16 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Projects

None yet

Development

Successfully merging this pull request may close these issues.

eABF not compatible with NAMD MTS (GlobalMasterFrequency)?

3 participants