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Bug #2903

gmx wham doesn't compute profile with pull=angle-axis

Added by Kevin Boyd about 1 month ago. Updated 29 days ago.

Status:
Feedback wanted
Priority:
Normal
Assignee:
-
Category:
analysis tools
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Given correct tprs and pull files on a set of umbrella windows maintained using angle-axis, the histogram is computed correctly but the profile is a bunch of Nans

History

#1 Updated by Berk Hess 29 days ago

  • Status changed from New to Feedback wanted

Can you upload input and a command line?

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