From 46d431811d9e800699455dacf313a96b9f014e64 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 30 Oct 2013 14:34:24 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10889
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 doc/fix_nve_limit.html | 9 +++++++++
 doc/fix_nve_limit.txt  | 9 +++++++++
 2 files changed, 18 insertions(+)

diff --git a/doc/fix_nve_limit.html b/doc/fix_nve_limit.html
index ae9d726d2c..13b40bb9e6 100644
--- a/doc/fix_nve_limit.html
+++ b/doc/fix_nve_limit.html
@@ -50,6 +50,15 @@ exactly like the <A HREF = "fix_nve.html">fix nve</A> command.  Since forces are
 unaltered, pressures computed by thermodynamic output will still be
 very large for overlapped configurations.
 </P>
+<P>IMPORTANT NOTE: You should not use <A HREF = "fix_shake.html">fix shake</A> in
+conjunction with this fix.  That is because fix shake applies
+contraint forces based on the predicted postitions of atoms after the
+next timestep.  It has no way of knowing the timestep may change due
+to this fix, which will cause the constraint forces to be invalid.  A
+better strategy is to turn off fix shake when performing initial
+dynamics that need this fix, then turn fix shake on when doing normal
+dynamics with a fixed-size timestep.
+</P>
 <P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
 </P>
 <P>No information about this fix is written to <A HREF = "restart.html">binary restart
diff --git a/doc/fix_nve_limit.txt b/doc/fix_nve_limit.txt
index 79cb7c30f6..d61074f465 100644
--- a/doc/fix_nve_limit.txt
+++ b/doc/fix_nve_limit.txt
@@ -47,6 +47,15 @@ exactly like the "fix nve"_fix_nve.html command.  Since forces are
 unaltered, pressures computed by thermodynamic output will still be
 very large for overlapped configurations.
 
+IMPORTANT NOTE: You should not use "fix shake"_fix_shake.html in
+conjunction with this fix.  That is because fix shake applies
+contraint forces based on the predicted postitions of atoms after the
+next timestep.  It has no way of knowing the timestep may change due
+to this fix, which will cause the constraint forces to be invalid.  A
+better strategy is to turn off fix shake when performing initial
+dynamics that need this fix, then turn fix shake on when doing normal
+dynamics with a fixed-size timestep.
+
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
 No information about this fix is written to "binary restart