Disable PME Mixed mode with FEP

[alexxy/gromacs.git] / docs / release-notes / 2021 / 2021.4.rst

diff --git a/docs/release-notes/2021/2021.4.rst b/docs/release-notes/2021/2021.4.rst
index cdf6d4569aa4967fc3eeebcf0d698b5333535ef4..d162efb241e54daab60cf1261f0a7d7e9347217b 100644 (file)
--- a/docs/release-notes/2021/2021.4.rst
+++ b/docs/release-notes/2021/2021.4.rst
@@ -25,6 +25,18 @@ a domain and its halo were more than 200000.
 
 :issue:`4167`
 
+Disabled the use of PME Mixed mode for FEP simulations
+""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+The use of Mixed mode PME (``-pme gpu -pmefft cpu``) led to incorrect
+computation of :math:`{\frac{\partial V}{\partial {\lambda}}}` in FEP
+simulations.
+
+Mixed mode is only used when explicitly requested by the user.
+
+:issue:`4190`
+
+
 Fixes for ``gmx`` tools
 ^^^^^^^^^^^^^^^^^^^^^^^