read_data	${iname}
read_data	test/mix2.xyz
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  20 atoms
  scanning bonds ...
  1 = max bonds/atom
  reading bonds ...
  19 bonds
  2 = max # of 1-2 neighbors
  2 = max # of 1-3 neighbors
  4 = max # of 1-4 neighbors
  6 = max # of special neighbors
neighbor 2.0 multi

#########################
#Interactions

include test/interactions
bond_style  fene

bond_coeff 1 80.00 1.00 1.20 1.00
bond_coeff 2 80.00 1.00 1.20 1.00
bond_coeff 3 80.00 1.00 1.20 1.00

pair_style lj/cut 1.15
pair_modify shift yes
pair_coeff 1 1  1.00 1.00 1.15
pair_coeff 1 2  1.00 1.00 1.15
pair_coeff 2 2  1.00 1.00 1.15

group particle type 1 2
20 atoms in group particle

dump 10 all dcd 10 ${fname}
dump 10 all dcd 10 test/out2.dcd


#####################################################
# Equilibration (Langevin dynamics at 5000 K)

velocity 	particle create 1.0 1231
fix		1 particle nve/limit 0.05
fix		addscale particle langevin 1.0 1.0  1 904297


thermo_style	custom step temp
thermo          10000
timestep	0.005
run 1000
WARNING: Use special bonds = 0,1,1 with bond style fene (../bond_fene.cpp:188)
Memory usage per processor = 5.12134 Mbytes
Step Temp 
       0            1 
    1000   0.97900469 
Loop time of 0.00787592 on 1 procs (1 MPI x 1 OpenMP) for 1000 steps with 20 atoms

Pair  time (%) = 0.000720263 (9.14512)
Bond  time (%) = 0.00157666 (20.0188)
Neigh time (%) = 0.00023675 (3.00599)
Comm  time (%) = 0.00094223 (11.9634)
Outpt time (%) = 0.00132227 (16.7888)
Other time (%) = 0.00307775 (39.0779)

Nlocal:    20 ave 20 max 20 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    56 ave 56 max 56 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    53 ave 53 max 53 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 53
Ave neighs/atom = 2.65
Ave special neighs/atom = 5.4
Neighbor list builds = 12
Dangerous builds = 0

#####################################################

write_data test/out2.xyz
WARNING: Use special bonds = 0,1,1 with bond style fene (../bond_fene.cpp:188)



Please see the log.cite file for references relevant to this simulation

