I am getting this warning while computing rdf.
Warning: Inconsistent image flags (…/domain.cpp:645)
Also, I am getting very low valur of rdf’s. Can anyone has any idea whats wrong with the rdf compute part?
Input file:
#initialization
units lj
atom_style bond
#potentials
pair_style lj/smooth/linear 4.4896
special_bonds fene dihedral no
bond_style fene
read_data data.project
pair_coeff 2 2 1.0 4.0 4.4896
pair_coeff 1 1 1.0 1.0 1.122462
pair_coeff 1 2 1.0 2.5 6.25
bond_coeff 1 30 1.5 1.0 1.0
write_data checkbond.data
#velocity(melting at 5lj unit)
velocity all create 5.0 1
fix 1 all nvt temp 5.0 5.0 .1
#fix melt all temp/rescale 1000 5.0 5.0 0.02 0.1
compute peratom all pe/atom
compute pe all reduce sum c_peratom
thermo_style custom step temp etotal press pe ke
timestep 0.001
thermo 100
run_style verlet
run 30000
unfix 1
#unfix melt
write_data pretunnel.data
write_restart restart.equil.dreiding1
#the tunneling process
reset_timestep 0
fix 5 all nvt temp 5.0 2.0 0.1
#fix tunnel all temp/rescale 1000 5.0 2.0 0.02 0.1
run_style verlet
run 100000
#unfix tunnel
unfix 5
write_data posttunnel.data
write_restart restart.tunel.dreiding2
reset_timestep 0
fix 2 all nvt temp 2.0 2.0 0.1
#fix equlibrium all temp/rescale 1000 2.0 2.0 0.02 0.1
group polymer type 1
group nanoparticle type 2
dump 1 all atom 100 dump.run.txt
dump_modify 1 sort id scale no
timestep 0.001
thermo 100
run_style verlet
run 1000000
unfix 2
compute myRDF all rdf 100
fix 8 all ave/time 100 1 100 c_myRDF file rdf.txt mode vector
rerun dump.run.txt first 0 every 100 last 1000000 dump x y z box yes scaled yes
unfix 8
write_data final.data