Problem in setting pair coeff

Hi, all:

I have some problem in setting pair_modify. In my system, most molecules are used "mix arithmetic". But some molecules including two kinds of atoms i,j. I want to set the pair_coeff of i-i, j-j and i-j separately without using the mix rule. How can I do this ?

Thanks a lot!

Best regards,

Hi, all:

I have some problem in setting pair_modify. In my system, most molecules are
used "mix arithmetic". But some molecules including two kinds of atoms i,j.
I want to set the pair_coeff of i-i, j-j and i-j separately without using
the mix rule. How can I do this ?

just do it.
via pair_coeff.
mixing is only applied if the pair style supports it
and the pair potential parameters have not been
explicitly set already.

axel.