non-bonded

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1

hi

please let me know how can I omit the non bonded interaction between two atoms .

best
ramin

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2
hi

please let me know how can I omit the non bonded interaction between two atoms .

please provide more detail and context.
there are multiple ways to do this, but which
one works well, depends on the context.

axel.

3

I have a system with waters , ions and polymer .Now I want to omit the non bonded interaction between only water and ions .

pair_style lj/cut/coul/long/tip4p/omp 1 2 1 1 0.1250 20.0
kspace_style pppm/tip4p 1.0e-4
special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 0.125
bond_style harmonic/omp
angle_style harmonic/omp
dihedral_style opls/omp
improper_style none

thanks a lot
ramin

4
I have a system with waters , ions and polymer .Now I want to omit the non bonded interaction between only water and ions .

pair_style lj/cut/coul/long/tip4p/omp 1 2 1 1 0.1250 20.0
kspace_style pppm/tip4p 1.0e-4
special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 0.125
bond_style harmonic/omp
angle_style harmonic/omp
dihedral_style opls/omp
improper_style none

you can try using neigh_modify exclude

axel.