Dear lammps users,
I am thinking about using compute group/group to calculate the interaction between two charged groups. From the manual, long range interactions due to k-space command is not included. However, I am still interested in the long range coulombic interactions. Usually the cut off distance for LJ is set to be 10 A. Can I use longer cut off distance like 50 A for coulomb?
Thank you
Kaimin
Dear lammps users,
I am thinking about using compute group/group to calculate the interaction
between two charged groups. From the manual, long range interactions due to
k-space command is not included. However, I am still interested in the long
range coulombic interactions. Usually the cut off distance for LJ is set to
be 10 A. Can I use longer cut off distance like 50 A for coulomb?
you can set the cutoff as large as you want (and as much as you have memory).
however, you have to keep in mind that your performance will plummet due
to O(N**6) scaling of the computational cost per particle (O(N**3) for
particles
per volume and O(N**2) for pairs of particles inside the volume on top of that).
axel.