From 5be42af2237e7abb06582b29e669bc7ce6181bc2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 18 Aug 2009 17:56:56 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3096 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_shake.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/fix_shake.cpp b/src/fix_shake.cpp index 057797b13a..82c4206ac5 100644 --- a/src/fix_shake.cpp +++ b/src/fix_shake.cpp @@ -283,7 +283,7 @@ void FixShake::init() // cannot use with minimization since SHAKE turns off bonds // that should contribute to potential energy - if (update->whichflag == 1) + if (update->whichflag == 2) error->all("Fix shake cannot be used with minimization"); // error if npt,nph fix comes before shake fix