From 0bf0fd98cc8425fc82e49d2aa9cd7b4727626010 Mon Sep 17 00:00:00 2001 From: Jacob Gissinger Date: Wed, 15 Mar 2023 21:29:14 -0400 Subject: [PATCH] explicitly specify central atom --- src/MOLECULE/improper_umbrella.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp index 52bc692670..1558adc337 100644 --- a/src/MOLECULE/improper_umbrella.cpp +++ b/src/MOLECULE/improper_umbrella.cpp @@ -43,7 +43,7 @@ ImproperUmbrella::ImproperUmbrella(LAMMPS *_lmp) : Improper(_lmp) // the first and fourth atoms in the quadruplet are the atoms of symmetry symmatoms[0] = 1; - symmatoms[3] = 1; + symmatoms[3] = 2; } /* ---------------------------------------------------------------------- */