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Bug #2279

gmx check

Added by Marie-Madeleine Walz over 1 year ago. Updated over 1 year ago.

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

Using the tool "gmx check" comparing two .tpr files with different number of particles (e.g. ions):

For the .tpr file with less ions a random number (from memory) was printed and compared to the parameter values (e.g. the type, ptype, resind, atomnumber, m, q, etc.) from the .tpr file with more ions for all excess ions.

Associated revisions

Revision 23e6e70e (diff)
Added by Berk Hess over 1 year ago

Fix gmx check for tprs with different #atoms

Fixes #2279.

Change-Id: I0a56cb30922ba2831bd6177ca6025e15a25dbed6

History

#1 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related patchset '1' for Issue #2279.
Uploader: Berk Hess ()
Change-Id: gromacs~release-2016~I0a56cb30922ba2831bd6177ca6025e15a25dbed6
Gerrit URL: https://gerrit.gromacs.org/7078

#2 Updated by Berk Hess over 1 year ago

  • Status changed from New to Fix uploaded
  • Assignee set to Berk Hess
  • Target version set to 2016.5

I pushed up a fix for the 2016 release. Thanks for reporting this.

#3 Updated by Berk Hess over 1 year ago

  • Status changed from Fix uploaded to Resolved

#4 Updated by Erik Lindahl over 1 year ago

  • Status changed from Resolved to Closed

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