Increased noe restraints array size in scoring modules - issue #1501#1502
Merged
amjjbonvin merged 1 commit intomainfrom Apr 8, 2026
Merged
Increased noe restraints array size in scoring modules - issue #1501#1502amjjbonvin merged 1 commit intomainfrom
amjjbonvin merged 1 commit intomainfrom
Conversation
amjjbonvin
added
m|emscoring
amjjbonvin
changed the title
VGPReys
approved these changes
Apr 8, 2026
Contributor
VGPReys
left a comment
VGPReys
left a comment
There was a problem hiding this comment.
This issue is not observed in emref, flexref and mdref ?
Member
Author
|
No - because in those modules we have the |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Checklist
CHANGELOG.mdis updated to incorporate new changesSummary of the Pull Request
Added the definition of the NOE restraint array size (nres=10000) to
restrain-ions.cnsin scoring modules emscoring and mdscoringRelated Issue
#1501