[lammps-users] lj/cut/coul/cut or lj/cut/coul/long

Hi all,

i have created a box 350x350x350 A. I put inside 1000 molecules at P=1 bar and T=300K. I have create a lattice to put the CO2 molecules with a initial distance 0.3 nm. I was wondering now which is better to use lj/cut/coul/cut or lj/cut/coul/long? because my system is in gas phase so after minimization or/and equilibration the distances between the molecules may be big enough for the cutoff distances lets say 6-10 Angstrom.


You need to use long range electrostatics.

Quoting Jim panathinaikos <[email protected]>:

That's really a model question, not a LAMMPS question.
If long-range electrostatics are important for CO2, then
use a long-range solver in LAMMPS.


2010/4/5 Jim panathinaikos <[email protected]>: