ERROR: All pair coeffs are not set

Dear LAMMPS users,

I am using lammps -23oct/2017. I am trying to gcmc simulation through lammps.
when i put pair coeffs value in input script. It is getting error .

pair_style lj/cut/coul/long 12.5
kspace_style ewald 0.0001
pair_coeff 1 5 0.0163859696 2.9565 #cu-c
pair_coeff 2 5 0.07146236771 3.1365 #C-c
pair_coeff 3 5 0.07168744659 2.9165 #o-c
pair_coeff 4 5 0.02856991424 2.8232 #H-c
pair_coeff 1 6 0.09181993247 3.0815 #cu-o
pair_coeff 2 6 0.12219124354 3.2615 #C-o
pair_coeff 3 6 0.12257609881 3.0415 #O-o
pair_coeff 4 6 0.04885079323 2.9482 #h-o
pair_coeff 5 5 0.053649 2.8 #gasc-c
pair_coeff 6 6 0.156973 3.05 #gaso-o
pair_modify mix arithmetic tail yes

here i used 6 type atom in two type molecule.one is solute molecule which carry 4 (1 to 4) type atom and 2nd one is gas molecule,which has 2 type atom (5 & 6).

simply when i put some arbitrary value in data file,then it is running.

Pair Coeffs

1 0.0 2.0
2 0.0 2.0
3 0.0 3.0
4 0.0 3.0
5 0.0 3.0
6 0.0 2.0

here i dont understand why it show pair coeff is not set in case of input script.
may be ij parameter i assigned ,is wrong or any thing.
I found several mail in archive of lammps mail-list about such type of question but I don’t able to make link about them,so please comment about this how to figure out.

Thanks in advance,

satya

Dear LAMMPS users,

I am using lammps -23oct/2017. I am trying to gcmc simulation through
lammps.
when i put pair coeffs value in input script. It is getting error .

pair_style lj/cut/coul/long 12.5
kspace_style ewald 0.0001
pair_coeff 1 5 0.0163859696 2.9565 #cu-c
pair_coeff 2 5 0.07146236771 3.1365 #C-c
pair_coeff 3 5 0.07168744659 2.9165 #o-c
pair_coeff 4 5 0.02856991424 2.8232 #H-c
pair_coeff 1 6 0.09181993247 3.0815 #cu-o
pair_coeff 2 6 0.12219124354 3.2615 #C-o
pair_coeff 3 6 0.12257609881 3.0415 #O-o
pair_coeff 4 6 0.04885079323 2.9482 #h-o
pair_coeff 5 5 0.053649 2.8 #gasc-c
pair_coeff 6 6 0.156973 3.05 #gaso-o
pair_modify mix arithmetic tail yes

here i used 6 type atom in two type molecule.one is solute molecule which
carry 4 (1 to 4) type atom and 2nd one is gas molecule,which has 2 type atom
(5 & 6).

simply when i put some arbitrary value in data file,then it is running.

Pair Coeffs

1 0.0 2.0
2 0.0 2.0
3 0.0 3.0
4 0.0 3.0
5 0.0 3.0
6 0.0 2.0

here i dont understand why it show pair coeff is not set in case of input
script.

because it is lacking parameters for pairs of atom types that cannot
be recovered through mixing, e.g. 1 1 or 2 2 or 1 2 and so on.

may be ij parameter i assigned ,is wrong or any thing.
I found several mail in archive of lammps mail-list about such type of
question but I don't able to make link about them,so please comment about
this how to figure out.

the logic is actually very obvious and it *is* explained in the manual.

axel.