Clarified docs for use of mdrun -nstlist

Change-Id: I86118d59116bb183bf81d21bdef8f9c75c12700a

diff --git a/src/programs/mdrun/mdrun.cpp b/src/programs/mdrun/mdrun.cpp
index ca96aadcfb6bb6bf4e91d48e5ec0af0bc454013f..41a4021775e2facce77370a5d7b5341c4ffdcfb4 100644 (file)
--- a/src/programs/mdrun/mdrun.cpp
+++ b/src/programs/mdrun/mdrun.cpp
@@ -143,11 +143,12 @@ int gmx_mdrun(int argc, char *argv[])
         "With the Verlet cut-off scheme and verlet-buffer-tolerance set,",
         "the pair-list update interval nstlist can be chosen freely with",
         "the option [TT]-nstlist[tt]. [TT]mdrun[tt] will then adjust",
-        "the pair-list cut-off to maintain accuracy.",
-        "By default [TT]mdrun[tt] will try to increase nstlist to improve",
-        "the performance. For CPU runs nstlist might increase to 20, for GPU",
-        "runs up till 40. But for medium to high parallelization or with",
-        "fast GPUs, a (user supplied) larger nstlist value can give much",
+        "the pair-list cut-off to maintain accuracy, and not adjust nstlist.",
+        "Otherwise, by default, [TT]mdrun[tt] will try to increase the",
+        "value of nstlist set in the [TT].mdp[tt] file to improve the",
+        "performance. For CPU-only runs, nstlist might increase to 20, for",
+        "GPU runs up to 40. For medium to high parallelization or with",
+        "fast GPUs, a (user-supplied) larger nstlist value can give much",
         "better performance.",
         "[PAR]",
         "When using PME with separate PME nodes or with a GPU, the two major",