Virtual site - only bonding interactions needed

[mdsimulationgroup]

Hi,

I have a coarse grained force field that uses virtual sites for some bonding interactions. Is there a more efficient way to disable the non-bonding pair interactions in these virtual sites than simply setting the pair_coef to zero?

I would like to exclude the virtual sites from the pair calculation to maintain some level of computational efficiency.

Thank you for your help,
Frank

[akohlmey]

@mdsimulationgroup

Is there a more efficient way to disable the non-bonding pair interactions in these virtual sites than simply setting the pair_coef to zero?

Please check out the neigh_modify command — LAMMPS documentation