##############################################
# VARIABLES
variable       seed index 9838255
variable       input index datafile.dat
variable       output index bond_swap_test

# Initialization
units          lj
boundary       s s s
atom_style     bond
log            log.${output}
read_data      ${input}
reset_timestep 0

# Potential information
neighbor       2.0  bin
bond_style     fene
bond_coeff     1 30.0 1.5 1.0 1.0
pair_style     lj/cut 3.0
pair_modify    shift yes mix arithmetic
pair_coeff     1  1  1.0  1.0  3.0
special_bonds  fene


# run
compute        Rg all gyration
compute        bondinfo all property/local btype batom1 batom2
fix            1 all nve
fix            2 all langevin 1.0 1.0 100.0 ${seed}
fix            3 all bond/swap 50 0.5 1.3 8950123
thermo_style   custom cpuremain step temp c_Rg f_3[1] f_3[2]
thermo_modify  flush yes
thermo         1000
dump           1 all custom 1000 ${output}_traj id type x y z
dump           3 all local 1000 bonds.dump index c_bondinfo[*]
timestep       0.01
run            50000