Re: [ESPResSo-users] Optimization of box length

[Nairhita Samanta]

Hi Konrad!

          Thank you for your reply. I will definitely try what you have suggested.

Regards,

Nairhita

         

On Sat, Apr 9, 2016 at 2:35 PM, Konrad Breitsprecher <address@hidden> wrote:

Hello Nairhita,

you could try another cellsystem. Espresso can do

cellsystem nsquare

cellsystem layered n_layers

cellsystem domain_decomposition [-no_verlet_list]

Check the users guide to learn more about the cellsytem. 

For small testsystems nsquare might be suitable, but not for production runs.

Regards,

Konrad

2016-04-08 11:41 GMT+02:00 Nairhita Samanta <address@hidden>:

Hi!
I wanted to know if is is possible to take any length of the simulation box? Since I was having problem with box_length>3*r_cut.

Regards,

Nairhita