Add release notes.

diff --git a/docs/release-notes/2022/major/features.rst b/docs/release-notes/2022/major/features.rst
index acf78a2804b09047caa4a7a508545f901ce98318..dfecddb7a79fb2d22fa2147e8da2e40d852e66e4 100644 (file)
--- a/docs/release-notes/2022/major/features.rst
+++ b/docs/release-notes/2022/major/features.rst
@@ -34,3 +34,10 @@ Replica-exchange molecular dynamics simulations with GPU update
 """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
 
 Replica-exchange molecular dynamics now works with GPU update.
+
+A new formulation of soft-core interactions for free energy calculations
+""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+With this addition Gromacs allows to choose from two schemes to soften
+non-bonded interactions during alchemical perturbations:
+`beutler` and `gapsys` soft-core functions.

diff --git a/docs/release-notes/2022/major/highlights.rst b/docs/release-notes/2022/major/highlights.rst
index f9adc743349a44c635bdbd0400432c18a21fa3e2..4e09cdbd3d4614b8f022208fc44032b524a5645e 100644 (file)
--- a/docs/release-notes/2022/major/highlights.rst
+++ b/docs/release-notes/2022/major/highlights.rst
@@ -14,6 +14,7 @@ simulations and hardware. The new features are:
 
 * Free-energy kernels are accelerated using SIMD, which make free-energy
   calculations up to three times as fast when using GPUs
+* A new formulation of the soft-cored non-bonded interactions for free-energy calculations allows for a finer control of the alchemical transformation pathways
 * New transformation pull coordinate allows arbibrary mathematical transformations of one of more other pull coordinates
 * Cool quotes music play list