Improve AWH bias sharing documentation

[alexxy/gromacs.git] / docs / reference-manual / special / awh.rst

diff --git a/docs/reference-manual/special/awh.rst b/docs/reference-manual/special/awh.rst
index f9e30ea273aa056c9762b5d53fed21eb996c8937..1cc7e935db70320968d99595a54130b82e8fdc79 100644 (file)
--- a/docs/reference-manual/special/awh.rst
+++ b/docs/reference-manual/special/awh.rst
@@ -498,6 +498,17 @@ equal to the length of the sampling interval, the sampling interval is
 considered covered when at least one walker has independently traversed
 the sampling interval.
 
 considered covered when at least one walker has independently traversed
 the sampling interval.
 

+In practice biases are shared by setting :mdp:`awh-share-multisim` to true
+and :mdp:`awh1-share-group` (for bias 1) to a non-zero value. Here, bias 1
+will be shared between simulations that have the same share group value.
+Sharing can be different for bias 1, 2, etc. (although there are
+few use cases where this is useful). Technically there are no restrictions
+on sharing, apart from that biases that are shared need to have the same
+number of grid points and the update intervals should match.
+Note that biases can not be shared within a simulation.
+The latter could be useful, especially for multimeric proteins, but this
+is more difficult to implement.
+

 .. _awhreweight:
 
 Reweighting and combining biased data
 .. _awhreweight:
 
 Reweighting and combining biased data