Fix PBC issues with AWH with cylinder geometry (!5963) · Merge requests · GROMACS / GROMACS

When using AWH with cylinder geometry, all atoms in the reference groups needed to be within half a box length of the COM of the pulled group. This limitation is removed by using the COM of the reference group for determining the PBC image.

Fixes #5629 (closed)

Edited May 13, 2026 by Berk Hess

Fix PBC issues with AWH with cylinder geometry

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