# gold simulating

Hi,
I’m simulating gold nanoparticle by lammps.
My in.file is showed below.

units metal
dimension 3
atom_style sphere
boundary p p p
lattice fcc 4.07
region box sphere 0 0 0 0.708 units lattice

create_box 1 box
change_box triclinic
create_atoms 1 region box
set group all diameter 3.58
set type 1 mass 196.96

pair_style eam
pair_coeff * * Au_u3.eam

velocity all create 310.0 234242
fix 1 all nvt/sphere temp 300.0 300.0 100.0

timestep 0.000001
thermo 500
thermo_modify lost ignore norm no
dump 1 all xyz 100 dump.xyz
run 10000
neigh_modify every 1 delay 0 check yes

min_style hftn
minimize 1.0e−4 1.0e−6 1000 1000
variable natoms equal “count(all)”
print “Number of atoms = \${natoms};”

when I run it, Lammps gives error that I do not know How can I solve it?: ERROR: Cannot set mass for this atom style.

thank you

Fatemeh Ramezani

Hi,
I'm simulating gold nanoparticle by lammps.
My in.file is showed below.

units metal
dimension 3
atom_style sphere
boundary p p p
lattice fcc 4.07
region box sphere 0 0 0 0.708 units lattice

create_box 1 box
change_box triclinic
create_atoms 1 region box
set group all diameter 3.58
set type 1 mass 196.96

pair_style eam
pair_coeff * * Au_u3.eam

velocity all create 310.0 234242
fix 1 all nvt/sphere temp 300.0 300.0 100.0

timestep 0.000001
thermo 500
thermo_modify lost ignore norm no
dump 1 all xyz 100 dump.xyz
run 10000
neigh_modify every 1 delay 0 check yes

min_style hftn
minimize 1.0e-4 1.0e-6 1000 1000
variable natoms equal "count(all)"
print "Number of atoms = \${natoms};"

when I run it, Lammps gives error that I do not know How can I solve it?:
ERROR: Cannot set mass for this atom style.