Added a note about sc-coul being auto turned on.

[alexxy/gromacs.git] / docs / old-html / online / mdp_opt.html

diff --git a/docs/old-html/online/mdp_opt.html b/docs/old-html/online/mdp_opt.html
index f0fa212a606c3e4f5963e0171440304271ac2aa9..1d6fd0f53e389ef669fad3a6689677774845f68a 100644 (file)
--- a/docs/old-html/online/mdp_opt.html
+++ b/docs/old-html/online/mdp_opt.html
@@ -1574,8 +1574,10 @@ of 1 is sufficient, while for MBAR -1 should be used.</dd>
 <dt><b>sc-r-power: (6)</b></dt>
 <dd>the power of the radial term in the soft-core equation.  Possible values are 6 and 48. 6 is more standard, and is the default.  When 48 is used, then sc-alpha should generally be much lower (between 0.001 and 0.003).</dd>
 <dt><b>sc-coul: (no)</b></dt>
-<dd>Whether to apply the soft core free energy interaction transformation to the Columbic interaction of a molecule. Default is no, as it is generally
-more efficient to turn off the Coulomic interactions linearly before turning off the van der Waals interactions.</dd>
+<dd>Whether to apply the soft-core free energy interaction transformation to the Columbic interaction of a molecule. Default is no, as it is generally
+more efficient to turn off the Coulomic interactions linearly before turning off the van der Waals interactions. Note that it is only taken into account 
+when lambda states are used, not with <b>couple-lambda0/couple-lambda1</b>, and you can still turn off soft-core 
+interactions by setting <b>sc-alpha=0</b>.</dd>
 <dt><b>sc-power: (0)</b></dt>
 <dd>the power for lambda in the soft-core function, only the values 1 and 2 are supported</dd>
 <dt><b>sc-sigma: (0.3) [nm]</b></dt>