From a559ad0c45e506080a3ffca7b374060e0eeaaee6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 19 Jun 2012 14:20:40 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8325 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MOLECULE/dihedral_helix.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp index c9da759d21..e9c17392d4 100644 --- a/src/MOLECULE/dihedral_helix.cpp +++ b/src/MOLECULE/dihedral_helix.cpp @@ -188,7 +188,7 @@ void DihedralHelix::compute(int eflag, int vflag) if (c < -1.0) c = -1.0; phi = acos(c); - if (dx < 0.0) phi *= -1.0; + if (dx > 0.0) phi *= -1.0; si = sin(phi); if (fabs(si) < SMALLER) si = SMALLER; siinv = 1.0/si;