explicitly specify central atom

2023-03-15 21:29:14 -04:00
parent 56f4aaff47
commit 0bf0fd98cc
1 changed files with 1 additions and 1 deletions
--- 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;
 }

 /* ---------------------------------------------------------------------- */