|From:||RaviKumarReddy ADDULA <ravikumarred@...7026...>|
|Date:||Mon, 31 Jul 2017 09:59:40 +0000|
Dear lammps users,
To be consistent with minimum image convention, the cutoff distance (rc) in a simulation should be less than half of the box length. In one of my simulations of pure water with box dimensions as Lx=27.088, Ly=23.446 and Ly=12.072A. i was able run the simulation
upto 15A cutoff distance with out any errors ... but i was surprised to see simulation runs with out any error even when rc>L/2. can any one comment on this... how does it calculate energies if rc>L/2 ?
RAVI KUMAR REDDY A