From fd3ed21adef49ce8404e3bdb2ab65b18904991da Mon Sep 17 00:00:00 2001
From: Berk Hess <hess@kth.se>
Date: Mon, 20 Feb 2012 14:46:47 +0100
Subject: [PATCH] changed default epsilon-rf value to 0

The default for epsilon-rf used to be 1, now it has been changed to infinity.
Infinity is a sensible value and gives 0 potential and force at the cut-off.

Change-Id: I3884085b687002edff4b4b96f21851e182268a55
---
 share/html/online/mdp_opt.html | 2 +-
 src/kernel/readir.c            | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/share/html/online/mdp_opt.html b/share/html/online/mdp_opt.html
index 8bb822db7d..3f40b3d9e2 100644
--- a/share/html/online/mdp_opt.html
+++ b/share/html/online/mdp_opt.html
@@ -627,7 +627,7 @@ i.e. both to the user supplied function and the PME Mesh correction part.</dd>
 <dd>The relative <!--Idx-->dielectric constant<!--EIdx-->.
 A value of 0 means infinity.</dd>
 
-<dt><b>epsilon-rf: (1)</b></dt>
+<dt><b>epsilon-rf: (0)</b></dt>
 <dd>The relative dielectric constant of the reaction field.
 This is only used with reaction-field electrostatics.
 A value of 0 means infinity.</dd>
diff --git a/src/kernel/readir.c b/src/kernel/readir.c
index f961cff20c..cd46570f7f 100644
--- a/src/kernel/readir.c
+++ b/src/kernel/readir.c
@@ -926,7 +926,7 @@ void get_ir(const char *mdparin,const char *mdparout,
   RTYPE ("rcoulomb",	ir->rcoulomb,	1.0);
   CTYPE ("Relative dielectric constant for the medium and the reaction field");
   RTYPE ("epsilon-r",   ir->epsilon_r,  1.0);
-  RTYPE ("epsilon-rf",  ir->epsilon_rf, 1.0);
+  RTYPE ("epsilon-rf",  ir->epsilon_rf, 0.0);
   CTYPE ("Method for doing Van der Waals");
   EETYPE("vdw-type",	ir->vdwtype,    evdw_names);
   CTYPE ("cut-off lengths");
-- 
2.11.4.GIT