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Bug #2381

COMM removal requested for part of the system works on the whole system

Added by Berk Hess 9 months ago. Updated 9 months ago.

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

With 1 center of mass motion removal group that does not cover the whole system, COMM removal is still applied to the whole system. Note that you need to use grompp -maxwarn to generate such a setup. The bug was introduced in the 2018 release.

Associated revisions

Revision 967cf984 (diff)
Added by Berk Hess 9 months ago

Fix COMM removal on part of the system

COMM removal requested for part of the system acted on the whole
system.

Fixes #2381

Change-Id: Ic36ce0d261dd9b5aeceef1803f6a97e6a9ca8716

History

#1 Updated by Gerrit Code Review Bot 9 months ago

Gerrit received a related patchset '1' for Issue #2381.
Uploader: Berk Hess ()
Change-Id: gromacs~release-2018~Ic36ce0d261dd9b5aeceef1803f6a97e6a9ca8716
Gerrit URL: https://gerrit.gromacs.org/7470

#2 Updated by Berk Hess 9 months ago

  • Status changed from In Progress to Fix uploaded

#3 Updated by Gerrit Code Review Bot 9 months ago

Gerrit received a related patchset '1' for Issue #2381.
Uploader: Berk Hess ()
Change-Id: gromacs~release-2018~Idc66145afaca6a1e0cb868dd6aba2405e2dd7171
Gerrit URL: https://gerrit.gromacs.org/7488

#4 Updated by Berk Hess 9 months ago

  • Status changed from Fix uploaded to Resolved

#5 Updated by Mark Abraham 9 months ago

  • Status changed from Resolved to Closed

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