Improve AWH bias sharing documentation

[alexxy/gromacs.git] / docs / user-guide / mdp-options.rst

diff --git a/docs/user-guide/mdp-options.rst b/docs/user-guide/mdp-options.rst
index cfae901aa0eb259f7e039fba8d3ca623b905e3bc..d0e990632a2d1c6cffd21ef5b0184893162a25b7 100644 (file)
--- a/docs/user-guide/mdp-options.rst
+++ b/docs/user-guide/mdp-options.rst
@@ -2095,15 +2095,15 @@ AWH adaptive biasing
 
    .. mdp-value:: positive
 
-      Share the bias and PMF estimates within and/or between simulations.
-      Within a simulation, the bias will be shared between biases that have the
-      same :mdp:`awh1-share-group` index (note that the current code does not support this).
-      With :mdp-value:`awh-share-multisim=yes` and
-      :ref:`gmx mdrun` option ``-multidir`` the bias will also be shared across simulations.
+      Share the bias and PMF estimates between simulations. This currently
+      only works between biases with the same index. Note that currently
+      sharing within a single simulation is not supported.
+      The bias will be shared across simulations that specify the same
+      value for :mdp:`awh1-share-group`. To enable this, use
+      :mdp-value:`awh-share-multisim=yes` and the :ref:`gmx mdrun` option
+      ``-multidir``.
       Sharing may increase convergence initially, although the starting configurations
       can be critical, especially when sharing between many biases.
-      Currently, positive group values should start at 1 and increase
-      by 1 for each subsequent bias that is shared.
 
 .. mdp:: awh1-ndim
 
@@ -2584,7 +2584,7 @@ Free energy calculations
    than :mdp:`sc-sigma`.
    Used only with `sc-function=beutler`
 
-.. mdp:: sc-linpoint-LJ-gapsys
+.. mdp:: sc-gapsys-scale-linpoint-lj
 
    (0.85)
    for `sc-function=gapsys` it is the unitless alphaLJ parameter.
@@ -2594,7 +2594,7 @@ Free energy calculations
    van der Waals interactions.
    Used only with `sc-function=gapsys`
 
-.. mdp:: sc-linpoint-Q-gapsys
+.. mdp:: sc-gapsys-scale-linpoint-q
 
    (0.3) [nm/e^2]
    For `sc-function=gapsys` the alphaQ parameter
@@ -2603,7 +2603,7 @@ Free energy calculations
    result in the standard hard-core Coulombic interactions.
    Used only with `sc-function=gapsys`
 
-.. mdp:: sc-sigma-LJ-gapsys
+.. mdp:: sc-gapsys-sigma-lj
 
    (0.3) [nm]
    for `sc-function=gapsys` the soft-core sigma for particles