Re: [ESPResSo-users] [Espresso] Langevin thermostat

[Georg Rempfer]

Hello Padidela,

please provide a simulation script, otherwise we can only provide you
with wild guesses. My wild guess would be that you don't substract the
center of mass motion from your particles, to calculate the
temperature.

Regards,
Georg Rempfer

2013/9/11 padidela uday <address@hidden>:
> Dear All,
>
> I am simulating a charged colloidal system using WCA potential.
>
> Charge -25:1
> Size 16:1 nm
> Box length 200
> No of particles are 2600 (100:2500)
> Timestep:0.006
> Skin : 0.4
> Temp 2.492 (300k)
> Gamma 1.0
>
> But the temperature of my system is not maintained to the set value of temp.
> The system gets fluctuated with this gamma value.
> What would be the ideal gamma value to be used for larger system?
>
>
>
> With regards
>
>
> Uday
>
>