Decouple nsttcouple and nstpcouple from nstlist

[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 cd78e3151ec8c5cb493b2662ebf853ac53e23543..2ea402530c4848f1e13d8e4a47b5b54969e476e1 100644 (file)
--- a/docs/user-guide/mdp-options.rst
+++ b/docs/user-guide/mdp-options.rst
@@ -976,8 +976,10 @@ Temperature coupling
 
    (-1)
    The frequency for coupling the temperature. The default value of -1
-   sets :mdp:`nsttcouple` equal to :mdp:`nstlist`, unless
-   :mdp:`nstlist` <=0, then a value of 10 is used. For velocity
+   sets :mdp:`nsttcouple` equal to 10, or fewer steps if required
+   for accurate integration. Note that the default value is not 1
+   because additional computation and communication is required for
+   obtaining the kinetic energy. For velocity
    Verlet integrators :mdp:`nsttcouple` is set to 1.
 
 .. mdp:: nh-chain-length
@@ -1110,8 +1112,10 @@ Pressure coupling
 
    (-1)
    The frequency for coupling the pressure. The default value of -1
-   sets :mdp:`nstpcouple` equal to :mdp:`nstlist`, unless
-   :mdp:`nstlist` <=0, then a value of 10 is used. For velocity
+   sets :mdp:`nstpcouple` equal to 10, or fewer steps if required
+   for accurate integration. Note that the default value is not 1
+   because additional computation and communication is required for
+   obtaining the virial. For velocity
    Verlet integrators :mdp:`nstpcouple` is set to 1.
 
 .. mdp:: tau-p