[lammps-users] neighbor_modify exclude

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1

In all of your problems you should use check = yes (the default),
else you are reneighboring every timestep. The other
models appear to be blowing up b/c you are excluding interactions.
Maybe that makes the system pressure/density much different
than your initial state.

Steve

2

Hi Steve,

Thanks, yes, you are right, I should use check yes.

The real problem is, the excluded interaction is defined as lj/cut/coul/long,
and both epsilon and sigma are 0 for type 2 (hydrogen). If they are not excluded
the system won’t blow but it blows if they are excluded. Since Coulombic
interacation is not affected by neigh_modify, I don’t expect this to happen.
Any hint?

Thanks.
Lingti