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;