Documentation fix: Rerun and nstlist

The current code is not, as written in the documentation, behaving differently if
`nstlist == 0`. The relevant code part in `md.cpp` (line 312+) reads

    const gmx_bool bRerunMD      = mdrunOptions.rerun;
    int            nstglobalcomm = mdrunOptions.globalCommunicationInterval;

    if (bRerunMD)
    {
        /* Since we don't know if the frames read are related in any way,
         * rebuild the neighborlist at every step.
         */
        ir->nstlist       = 1;
        ir->nstcalcenergy = 1;
        nstglobalcomm     = 1;
    }

This change adapts the documentation to reflect what we're is actually doing.

Change-Id: I2292c675e0798f7e500ac3438a61872accabf21c

diff --git a/docs/user-guide/mdrun-features.rst b/docs/user-guide/mdrun-features.rst
index b829e3fbae26af923a22e9e87f3b9ed2ed7a76cb..2fa64d9051483dd1a435ffced37bbcf01d6a35ea 100644 (file)
--- a/docs/user-guide/mdrun-features.rst
+++ b/docs/user-guide/mdrun-features.rst
@@ -18,10 +18,10 @@ subsets of the molecular system (see :ref:`gmx convert-tpr` and
 :ref:`gmx trjconv`). It is easier to do a correct "single-point" energy
 evaluation with this feature than a 0-step simulation.
 
-Neighbor searching is normally performed for every frame in the
-trajectory, since :ref:`gmx mdrun` can no longer assume anything about how the
-structures were generated. If :mdp:`nstlist` is zero, then only one
-neighbor list will be constructed. Naturally, no update or constraint
+Neighbor searching is performed for every frame in the trajectory
+independently of the value in :mdp:`nstlist`, since
+:ref:`gmx mdrun` can no longer assume anything about how the
+structures were generated. Naturally, no update or constraint
 algorithms are ever used.
 
 Running a simulation in reproducible mode