hello dear
i am simulating nano-fluids water-cu.i want to define the immobiles walls by entering the below code directly in lammps,but it shows the below error.
i appreciate anyhelps
LAMMPS (12 Apr 2013)
variable T equal 398
variable V equal vol
variable dt equal 1
variable p equal 200
variable s equal 10
variable d equal $p*$s
variable d equal 200*$s
variable d equal 200*10
variable kB equal 1.3806504e-23 # [J/K] Boltzmann
variable kCal2J equal 4186.0/6.02214e23
variable A2m equal 1.0e-10
variable fs2s equal 1.0e-15
variable convert equal {kCal2J}*{kCal2J}/{fs2s}/{A2m}
variable convert equal 6.9510174124148567e-021*{kCal2J}/{fs2s}/{A2m}
variable convert equal 6.9510174124148567e-021*6.9510174124148567e-021/{fs2s}/{A2m}
variable convert equal 6.9510174124148567e-021*6.9510174124148567e-021/1.0000000000000001e-015/{A2m}
variable convert equal 6.9510174124148567e-021*6.9510174124148567e-021/1.0000000000000001e-015/1e-010
dimension 3
units real
atom_style full
neighbor 2.0 bin
#neigh_modify delay 5
neigh_modify delay 0 every 1 check yes
#lattice fcc 0.8
#include system.in.init
read_data system2.data
2 = max bonds/atom
1 = max angles/atom
orthogonal box = (0 -14 0) to (51.2 49 35)
1 by 1 by 1 MPI processor grid
5652 atoms
3168 bonds
1584 angles
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
#include system.in.settings
– Default styles (for solo “SPCE” water) –
group hydrogen type 2
3168 atoms in group hydrogen
#group water type 1 2
group cu type 3
450 atoms in group cu
group oxygen type 1
1584 atoms in group oxygen
group low type 3
450 atoms in group low
group up type 3
450 atoms in group up
group 3 low region wall #(or group stable bottom)
ERROR: Illegal group command (…/group.cpp:367)