diff --git a/package/AUTHORS b/package/AUTHORS index e8e41573d9..4cd9d75a3a 100644 --- a/package/AUTHORS +++ b/package/AUTHORS @@ -280,6 +280,7 @@ Chronological list of authors - Amarendra Mohan - Shubham Mittal - Charity Grey + - Dhanushka Weerakoon External code ------------- diff --git a/package/CHANGELOG b/package/CHANGELOG index ca30fcb440..499baee788 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -17,11 +17,13 @@ The rules for this file: ??/??/?? IAlibay, orbeckst, marinegor, tylerjereddy, ljwoods2, marinegor, spyke7, talagayev, tanii1125, BradyAJohnston, hejamu, jeremyleung521, harshitgajjela-droid, kunjsinha, aygarwal, jauy123, Dreamstick9, - ollyfutur, Amarendra22, charity-g + ollyfutur, Amarendra22, charity-g, DhanushkaWeerakoon * 2.11.0 Fixes + * Fix mismatch in target and reference groupselection coordinates which + can occur during RMSD calculations (Issue #2797) * `MDAnalysis.analysis.atomicdistances.AtomicDistances` results are now consistent with expected `analysis` documentation data type = Results (Issue #4819, PR #5347) diff --git a/package/MDAnalysis/analysis/rms.py b/package/MDAnalysis/analysis/rms.py index 4b76723e7b..54dac2c0ff 100644 --- a/package/MDAnalysis/analysis/rms.py +++ b/package/MDAnalysis/analysis/rms.py @@ -733,7 +733,7 @@ def _prepare(self): if self._groupselections_atoms: self._groupselections_ref_coords64 = [ ( - self.reference.select_atoms( + self.reference.universe.select_atoms( *s["reference"] ).positions.astype(np.float64) )