Hi dear Olaf,
Thank you for your reply,
My box length is 150. I have a cylinder of radius 25 and length 150. My system are periodic in 3 directions. Within the cylinder, there are 1000 particles with charge +1 and 1000 particles with charge -1. The coulomb algorithm is P3M. There are 6-12 LJ interactions between particles with these parameters:
particle_sigma 1.0
particle_epsilon 1.0
particle_cutoff 1.12246
particle_shift 0.25
, and 3-9 LJ interactions between particles and cylinder constraint with these parameters:
constraint_sigma 1.0
constraint_epsilon 1.0
constraint_cutoff 0.858374
constraint_shift 0
In addition, I have thermostat langevin 1.0 1.0.
Are these informations enough?
Thank you
again,
Roya
On Thursday, 27 March 2014, 20:31, Olaf Lenz <address@hidden> wrote:
The values on the system size, the temperature, the charges and the LJ parameters. If you do not give these, we cannot say whether it is reasonable.
Olaf