Bug #2381
COMM removal requested for part of the system works on the whole system
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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
History
#1 Updated by Gerrit Code Review Bot over 1 year ago
Gerrit received a related patchset '1' for Issue #2381.
Uploader: Berk Hess (hess@kth.se)
Change-Id: gromacs~release-2018~Ic36ce0d261dd9b5aeceef1803f6a97e6a9ca8716
Gerrit URL: https://gerrit.gromacs.org/7470
#2 Updated by Berk Hess over 1 year ago
- Status changed from In Progress to Fix uploaded
#3 Updated by Gerrit Code Review Bot over 1 year ago
Gerrit received a related patchset '1' for Issue #2381.
Uploader: Berk Hess (hess@kth.se)
Change-Id: gromacs~release-2018~Idc66145afaca6a1e0cb868dd6aba2405e2dd7171
Gerrit URL: https://gerrit.gromacs.org/7488
#4 Updated by Berk Hess over 1 year ago
- Status changed from Fix uploaded to Resolved
Applied in changeset 967cf984591846e289e8d1586feb9c1efa181f84.
#5 Updated by Mark Abraham over 1 year ago
- Status changed from Resolved to Closed
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