diff --git a/examples/USER/quip/in.molecular b/examples/USER/quip/in.molecular
index ddec99795..5af564751 100644
--- a/examples/USER/quip/in.molecular
+++ b/examples/USER/quip/in.molecular
@@ -1,38 +1,42 @@
 units metal
 atom_style full
 boundary p p p
 processors 1 1 1
 timestep 0.0001 # 0.1 fs
 
 read_data methane-box-8.data
 
 pair_style hybrid/overlay lj/cut 8.0 quip
-special_bonds lj/coul 0.999999999 0.999999999 0.999999999 # for quip
+
+# exclusion setting for quip; cannot be exactly 1.0 1.0 1.0,
+# since that would not flag 1-2, 1-3, and 1-4 pairs in lj/cut
+special_bonds lj/coul 0.999999999 0.999999999 0.999999999
 
 # Intermolecular: OPLS (JACS 118 (45), p. 11225 (1996))
 pair_coeff 1 1 lj/cut 0.0028619844 3.5 # CT
 pair_coeff 2 2 lj/cut 0.0013009018 2.5 # HC
 pair_coeff 1 2 lj/cut 0.0019295487 2.95
 pair_modify shift no
+# change exclusion settings for lj/cut only: exclude bonded pairs
 pair_modify pair lj/cut special lj/coul 0.0 0.0 0.0
 
 # Intramolecular
 # Tell QUIP to pretend this is silane (which is covered by the parameter file)
 pair_coeff * * quip ip.parms.SW.xml "IP SW" 14 1
 bond_style none
 angle_style none
 
 fix 1 all nve
 
 # Include diagnostics that allow us to compare to a pure QUIP run
 compute equip all pair quip
 compute evdw all pair lj/cut
 compute vir all pressure NULL virial
 
 thermo_style custom step epair ke etotal temp press c_vir c_evdw c_equip
 thermo 1
 
-dump 1 all custom 1 dump.molecular id type x y z fx fy fz
-dump_modify 1 sort id
+# dump 1 all custom 1 dump.molecular id type x y z fx fy fz
+# dump_modify 1 sort id
 
 run 10