From c25ef8edb025751ae1b8d19c1a026523fc58800d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Oct 2020 15:11:19 -0400
Subject: [PATCH] fix segfault: must not count bonds on atoms that are not in a
 molecule

---
 src/delete_atoms.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index 03cd20947d..3dbf21ae59 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -557,6 +557,7 @@ void DeleteAtoms::recount_topology()
     for (int i = 0; i < nlocal; i++) {
       imol = molindex[i];
       iatom = molatom[i];
+      if (imol < 0) continue;
       nbonds += onemols[imol]->num_bond[iatom];
       nangles += onemols[imol]->num_angle[iatom];
       ndihedrals += onemols[imol]->num_dihedral[iatom];