Hi,
would you help me, please.
I am trying run a code lammps but when I do have a error:
ERROR: Illegal fix nvt/npt/nph command (…/fix_nh.cpp:336)
the code lammps is
units real
boundary p p p
atom_style charge
lattice bcc 5.06
region superbox block 0 12 0 12 0 12
create_box 2 superbox
create_atoms 1 box
set group all type/fraction 2 0.4996 3242
group yodo type 1
group plata type 2
mass 1 126.904
mass 2 107.868
set group yodo charge -1.0
set group plata charge +1.0
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes one 50000 page 1000000
thermo_style custom step etotal pe ke temp vol lx press
thermo_modify norm yes
log normal.log
pair_style buck/coul/long 10.0
kspace_style pppm 0.0001
pair_coeff 1 1 126802.04 0.3066 9232.27
pair_coeff 1 2 160086.39 0.3046 6337.68
pair_coeff 2 2 380906.22 0.2370 5162.33
compute yoke yodo ke
compute plke plata ke
dump fotos all custom 1 normal* type id xu yu zu x y z