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Bug #1668

Incorrect PBC removal in gmx hbond

Added by Erik Marklund almost 5 years ago. Updated almost 5 years ago.

Status:
Rejected
Priority:
Normal
Assignee:
Category:
analysis tools
Target version:
Affected version - extra info:
Has been around for some time so many versions affected.
Affected version:
Difficulty:
uncategorized
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Description

The PBC removal in gmx hbond appears to be done along the box vectors instead of orthogonal vectors. pbc_correct_gem() is to blame

History

#1 Updated by Erik Marklund almost 5 years ago

  • Status changed from New to Rejected

The description is incorrect. PBC removal should be along box vectors. This issue furthermore only arose in a now abandoned patch.

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