PME mixed mode produces incorrect results with box scaling - Redmine #2385
Archive from user: Aleksei Iupinov
I’ve made a simple test which exposed the issue. Will submit the test to
master later.
As mixed mode PME is opt-in, I think it’s fine to only submit the fix
itself for release-2018.
(from redmine: issue id 2385, created on 2018-01-16 by gmxdefault, closed on 2018-01-31)
- Relations:
- relates #2379 (closed)
- Changesets:
- Revision fbbd3df6 by Aleksei Iupinov on 2018-01-17T14:13:43Z:
Fix box scaling in PME mixed mode
A TODO is left to test and handle this better in master.
Fixes #2385
Change-Id: I34d01d3ea6802f624888a1fd85eef72711a82f2f
- Revision dd6a868c by Aleksei Iupinov on 2018-01-23T15:45:45Z:
Test the mixed mode PME with walls and box scaling
Refs #2385
Change-Id: I42281dd6b3da30c777a0819d97c1d85e69049674