Move virtual site calculation

[alexxy/gromacs.git] / docs / release-notes / 2022 / major / bugs-fixed.rst

diff --git a/docs/release-notes/2022/major/bugs-fixed.rst b/docs/release-notes/2022/major/bugs-fixed.rst
index 32793b8aaffed66dfd7129fcb5f05f04709d8062..6a68e9674ff591d47fda2316dd49bf26138eed99 100644 (file)
--- a/docs/release-notes/2022/major/bugs-fixed.rst
+++ b/docs/release-notes/2022/major/bugs-fixed.rst
@@ -1,6 +1,18 @@
 Bugs fixed
 ^^^^^^^^^^
 
+Fixed slight inaccuracies when using virtual sites with pressure coupling
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+Virtual sites were reconstructed after the system was propagated, but before
+scaling due to pressure coupling. For virtual site types which are not a linear
+combination of other atoms, this is not completely correct. Since the scaling
+due to pressure coupling is very small in healthy simulations, the resulting
+inaccuracies are expected to have been extremely minor, and in most cases
+undetectable.
+
+:issue:`3866`
+
 .. Note to developers!
    Please use """"""" to underline the individual entries for fixed issues in the subfolders,
    otherwise the formatting on the webpage is messed up.